A0A096LPD5_HUMAN Loading...

Serpin family B member 11

AlphaFold DB , UniProt , Accession A0A096LPD5, Species HUMAN (Homo sapiens, Human), Gene SERPINB11, Length 305 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
1M55.7Low85.2Confident98 Ų9827.1 Ų27.148%0.48317%0.168SC..  0121.40-83.7-172.7171.200110.1N294M1-N294 HydrophobicContact CE-CB 3.01Å; M1-N294 WeakPolarHBondContact CE-ND2 3.39Å; M1-N294 HydrophobicContact CG-CB 3.94Å; M1-N294 WeakPolarHBondContact CG-ND2 3.32Å; M1-N294 HydrophobicContact SD-CB 4.02Å
2G64.6Low86.2Confident48 Ų4824.8 Ų24.850%0.49515%0.154SC..  trans-56.2147.2176.500000112.1L4 S5 T6G2-L4 PolarHBondContact O-N 3.23Å; G2-S5 PolarHBondContact N-OG 3.29Å; G2-S5 PolarHBondContact O-N 3.23Å; G2-S5 PolarHBondContact O-OG 3.44Å; G2-T6 PolarHBondContact O-N 3.37Å; G2-T6 VanDerWaalsContact O-N 3.17Å; G2-T6 PolarHBondContact O-OG1 3.2Å
3S76.3Confident87.1Confident29 Ų2923.2 Ų23.220%0.20314%0.144CC..Hα-helixtrans-52.3-27.9-179.165.60000111.5A7S3-A7 PolarHBondContact O-N 3.11Å; S3-A7 VanDerWaalsContact O-N 3.15Å
4L85.6Confident87.8Confident14 Ų1424.9 Ų24.97%0.07315%0.151CC..Hα-helixtrans-83.2-38.2-179.3-177.661.9000110.6G2 T6 A7 N8 L36 F60 I83 E86 F87 E90G2-L4 PolarHBondContact O-N 3.23Å; L4-T6 PolarHBondContact O-N 3.3Å; L4-A7 PolarHBondContact O-N 2.95Å; L4-N8 WeakPolarHBondContact O-CB 3.19Å; L4-N8 PolarHBondContact O-N 2.93Å; L4-L36 HydrophobicContact CD1-CD2 4.48Å; L4-F60 HydrophobicContact CD1-CE1 3.82Å; L4-F60 HydrophobicContact CD1-CZ 4.07Å; L4-I83 HydrophobicContact CD1-CG2 4.4Å; L4-E86 HydrophobicContact CD2-CB 4Å; L4-F87 HydrophobicContact CD1-CE1 4.27Å; L4-F87 HydrophobicContact CD1-CE2 3.97Å; L4-F87 HydrophobicContact CD1-CZ 3.75Å; L4-F87 HydrophobicContact CD2-CD1 4.09Å; L4-F87 HydrophobicContact CD2-CE1 4.12Å; L4-F87 HydrophobicContact CD2-CG 4.29Å; L4-F87 HydrophobicContact CD2-CZ 4.36Å; L4-F87 HydrophobicContact CG-CZ 4.47Å; L4-E90 WeakPolarHBondContact CD2-OE2 3.48Å
5S87.7Confident88.4Confident3 Ų323.3 Ų23.32%0.02114%0.142CC..Hα-helixtrans-65.1-37.9177.263.80000111.3G2 A7 N8 V9 T293G2-S5 PolarHBondContact N-OG 3.29Å; G2-S5 PolarHBondContact O-N 3.23Å; G2-S5 PolarHBondContact O-OG 3.44Å; S5-A7 VanDerWaalsContact C-N 3.3Å; S5-N8 VanDerWaalsContact O-CB 3.27Å; S5-N8 WeakPolarHBondContact O-CB 3.19Å; S5-N8 PolarHBondContact O-N 3.37Å; S5-N8 VanDerWaalsContact O-N 3.11Å; S5-V9 VanDerWaalsContact O-CG2 3.28Å; S5-V9 WeakPolarHBondContact O-CG2 3.5Å; S5-V9 PolarHBondContact O-N 2.87Å; S5-T293 WeakPolarHBondContact CB-O 3.34Å; S5-T293 PolarHBondContact OG-O 2.84Å
6T90.9Very high89Confident45 Ų4521.9 Ų21.928%0.27613%0.133SC..Hα-helixtrans-65.4-44.2177.8-63.50000110.1G2 L4 N8 V9 E10G2-T6 PolarHBondContact O-N 3.37Å; G2-T6 VanDerWaalsContact O-N 3.17Å; G2-T6 PolarHBondContact O-OG1 3.2Å; L4-T6 PolarHBondContact O-N 3.3Å; T6-N8 PolarHBondContact O-N 2.91Å; T6-V9 PolarHBondContact O-N 2.77Å; T6-V9 VanDerWaalsContact O-N 3.14Å; T6-E10 WeakPolarHBondContact O-CG 3.28Å; T6-E10 PolarHBondContact O-N 2.92Å
7A92.3Very high89.4Confident2 Ų225.9 Ų25.92%0.01715%0.148CC..Hα-helixtrans-59.5-37.3175.800000111.6S3 L4 S5 V9 E10 F11 H59 F60S3-A7 PolarHBondContact O-N 3.11Å; S3-A7 VanDerWaalsContact O-N 3.15Å; L4-A7 PolarHBondContact O-N 2.95Å; S5-A7 VanDerWaalsContact C-N 3.3Å; A7-V9 PolarHBondContact O-N 3.27Å; A7-E10 PolarHBondContact O-N 3.25Å; A7-F11 WeakPolarHBondContact O-CB 3.47Å; A7-F11 PolarHBondContact O-N 3.04Å; A7-H59 HydrophobicContact CB-CB 4.14Å; A7-F60 HydrophobicContact CB-CD1 4.03Å; A7-F60 HydrophobicContact CB-CE1 3.84Å
8N94.9Very high89.8Confident0 Ų026.9 Ų26.90%015%0.151CC..Hα-helixtrans-63.8-39.8179.1177.6-99.1000111.4L4 S5 T6 E10 F11 C12 S32 L36 T295 I296L4-N8 WeakPolarHBondContact O-CB 3.19Å; L4-N8 PolarHBondContact O-N 2.93Å; S5-N8 VanDerWaalsContact O-CB 3.27Å; S5-N8 WeakPolarHBondContact O-CB 3.19Å; S5-N8 PolarHBondContact O-N 3.37Å; S5-N8 VanDerWaalsContact O-N 3.11Å; T6-N8 PolarHBondContact O-N 2.91Å; N8-E10 VanDerWaalsContact C-N 3.32Å; N8-E10 PolarHBondContact O-N 2.77Å; N8-F11 PolarHBondContact O-N 3.26Å; N8-C12 WeakPolarHBondContact O-CB 3.42Å; N8-C12 PolarHBondContact O-N 3.42Å; N8-S32 PolarHBondContact ND2-OG 2.71Å; N8-S32 PolarHBondContact O-OG 3.16Å; N8-L36 HydrophobicContact CB-CD2 3.81Å; N8-T295 HydrophobicContact CB-CG2 4.3Å; N8-I296 WeakPolarHBondContact OD1-CA 3.48Å; N8-I296 VanDerWaalsContact OD1-CB 3.23Å; N8-I296 WeakPolarHBondContact OD1-CB 3.28Å; N8-I296 PolarHBondContact OD1-N 2.98Å; N8-I296 PolarHBondContact OD1-O 3.39Å
9V95.8Very high90Very high3 Ų325.9 Ų25.92%0.01815%0.145CC..Hα-helixtrans-69.9-44-177.5169.70000109.2S5 T6 A7 F11 C12 L13 F181 I296S5-V9 VanDerWaalsContact O-CG2 3.28Å; S5-V9 WeakPolarHBondContact O-CG2 3.5Å; S5-V9 PolarHBondContact O-N 2.87Å; T6-V9 PolarHBondContact O-N 2.77Å; T6-V9 VanDerWaalsContact O-N 3.14Å; A7-V9 PolarHBondContact O-N 3.27Å; V9-F11 VanDerWaalsContact C-N 3.29Å; V9-F11 PolarHBondContact O-N 3.13Å; V9-C12 WeakPolarHBondContact O-CB 3.4Å; V9-C12 PolarHBondContact O-N 3.18Å; V9-L13 HydrophobicContact CG1-CD1 4.12Å; V9-L13 HydrophobicContact CG1-CG 4.36Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 2.91Å; V9-F181 HydrophobicContact CG1-CD1 4.09Å; V9-I296 HydrophobicContact CB-CD1 4.33Å; V9-I296 HydrophobicContact CG1-CD1 4.25Å; V9-I296 HydrophobicContact CG2-CD1 3.89Å; V9-I296 HydrophobicContact CG2-CG1 4.1Å
10E96.3Very high90.2Very high55 Ų5525.7 Ų25.726%0.25714%0.144SC..Hα-helixtrans-63.6-47.7-179.5-71.5176.2170.400111.2T6 A7 N8 C12 L13 D14 H59T6-E10 WeakPolarHBondContact O-CG 3.28Å; T6-E10 PolarHBondContact O-N 2.92Å; A7-E10 PolarHBondContact O-N 3.25Å; N8-E10 VanDerWaalsContact C-N 3.32Å; N8-E10 PolarHBondContact O-N 2.77Å; E10-C12 PolarHBondContact O-N 3.17Å; E10-L13 PolarHBondContact O-N 3.2Å; E10-D14 VanDerWaalsContact O-CG 3.31Å; E10-D14 PolarHBondContact O-N 2.95Å; E10-H59 HydrophobicContact CB-CB 4.36Å; E10-H59 VanDerWaalsContact OE2-CB 3.31Å; E10-H59 WeakPolarHBondContact OE2-CB 3.38Å; E10-H59 IonicContact OE2-CE1 3.18Å; E10-H59 IonicContact OE2-CG 2.83Å; E10-H59 IonicContact OE2-ND1 3.51Å; E10-H59 PolarHBondContact OE2-ND1 3.15Å
11F96.9Very high90.3Very high1 Ų128.5 Ų28.50%0.00417%0.165CC..Hα-helixtrans-58.5-44.2177.7173.3-109.5000110.9A7 N8 V9 L13 D14 V15 L35 L36 L39 V57 L58 H59A7-F11 WeakPolarHBondContact O-CB 3.47Å; A7-F11 PolarHBondContact O-N 3.04Å; N8-F11 PolarHBondContact O-N 3.26Å; V9-F11 VanDerWaalsContact C-N 3.29Å; V9-F11 PolarHBondContact O-N 3.13Å; F11-L13 PolarHBondContact O-N 2.82Å; F11-D14 PolarHBondContact O-N 2.69Å; F11-V15 HydrophobicContact CD1-CG2 4.33Å; F11-V15 HydrophobicContact CD2-CG2 4.18Å; F11-V15 HydrophobicContact CE1-CG2 3.88Å; F11-V15 HydrophobicContact CE2-CG2 3.71Å; F11-V15 HydrophobicContact CG-CG2 4.47Å; F11-V15 HydrophobicContact CZ-CG2 3.54Å; F11-V15 WeakPolarHBondContact O-CG2 3.03Å; F11-V15 PolarHBondContact O-N 3.26Å; F11-L35 HydrophobicContact CE1-CB 3.76Å; F11-L35 HydrophobicContact CZ-CB 4.11Å; F11-L36 HydrophobicContact CB-CD1 4.2Å; F11-L36 HydrophobicContact CD1-CB 4.05Å; F11-L36 HydrophobicContact CD1-CD1 3.93Å; F11-L36 HydrophobicContact CE1-CB 4.17Å; F11-L36 HydrophobicContact CE1-CD1 4.46Å; F11-L36 HydrophobicContact CG-CD1 4Å; F11-L39 HydrophobicContact CE2-CD1 4.07Å; F11-L39 HydrophobicContact CZ-CD1 3.8Å; F11-V57 HydrophobicContact CD2-CG1 4.22Å; F11-V57 WeakPolarHBondContact CD2-O 3.34Å; F11-V57 HydrophobicContact CE2-CG1 4Å; F11-L58 HydrophobicContact CD2-CD2 4.17Å; F11-L58 HydrophobicContact CE2-CD2 4.05Å; F11-L58 HydrophobicContact CZ-CD2 4.46Å; F11-H59 PolarHBondContact N-CD2 3.03Å
12C97.7Very high91.7Very high0 Ų028.7 Ų28.70%017%0.168CC..Hα-helixtrans-57.5-42.3-179.1176.90000110.3N8 V9 E10 V15 F16 S32 I296 C299N8-C12 WeakPolarHBondContact O-CB 3.42Å; N8-C12 PolarHBondContact O-N 3.42Å; V9-C12 WeakPolarHBondContact O-CB 3.4Å; V9-C12 PolarHBondContact O-N 3.18Å; E10-C12 PolarHBondContact O-N 3.17Å; C12-V15 PolarHBondContact O-N 3.45Å; C12-F16 WeakPolarHBondContact O-CB 3.4Å; C12-F16 PolarHBondContact O-N 3.16Å; C12-S32 WeakPolarHBondContact CA-OG 3.15Å; C12-S32 WeakPolarHBondContact CB-OG 2.99Å; C12-I296 HydrophobicContact CB-CD1 4.24Å; C12-C299 WeakPolarHBondContact SG-CB 3.32Å
13L97.5Very high92.6Very high4 Ų428.6 Ų28.62%0.02116%0.157CC..Hα-helixtrans-76-32.9-174.9-65.9-176.8000110V9 E10 F11 V15 F16 K17 L176 N177 F181 F287V9-L13 HydrophobicContact CG1-CD1 4.12Å; V9-L13 HydrophobicContact CG1-CG 4.36Å; V9-L13 WeakPolarHBondContact O-CG 3.38Å; V9-L13 PolarHBondContact O-N 2.91Å; E10-L13 PolarHBondContact O-N 3.2Å; F11-L13 PolarHBondContact O-N 2.82Å; L13-V15 VanDerWaalsContact C-N 3.3Å; L13-F16 PolarHBondContact O-N 3.18Å; L13-K17 WeakPolarHBondContact O-CB 3.31Å; L13-K17 VanDerWaalsContact O-CG 3.24Å; L13-K17 WeakPolarHBondContact O-CG 3.49Å; L13-K17 PolarHBondContact O-N 3.02Å; L13-L176 HydrophobicContact CD1-CG 4.49Å; L13-L176 HydrophobicContact CD2-CD1 4.47Å; L13-L176 HydrophobicContact CD2-CD2 3.76Å; L13-L176 HydrophobicContact CD2-CG 3.87Å; L13-N177 VanDerWaalsContact CD1-CA 3.46Å; L13-F181 HydrophobicContact CD1-CB 4.45Å; L13-F287 HydrophobicContact CD2-CE1 4.19Å; L13-F287 HydrophobicContact CD2-CZ 4.4Å
14D97.3Very high92.9Very high47 Ų4733.7 Ų33.725%0.25118%0.18SC..Hα-helixtrans-60.4-44.3172.7-70.1-14.6000111.5E10 F11 F16 K17 E18 H59 L217E10-D14 VanDerWaalsContact O-CG 3.31Å; E10-D14 PolarHBondContact O-N 2.95Å; F11-D14 PolarHBondContact O-N 2.69Å; D14-F16 PolarHBondContact O-N 2.98Å; D14-K17 PolarHBondContact O-N 3.26Å; D14-E18 PolarHBondContact O-N 3.39Å; D14-H59 IonicContact OD2-CD2 3.54Å; D14-H59 IonicContact OD2-CE1 3.74Å; D14-H59 PolarHBondContact OD2-CE1 3.16Å; D14-H59 VanDerWaalsContact OD2-CE1 3.24Å; D14-H59 IonicContact OD2-NE2 3.97Å; D14-H59 PolarHBondContact OD2-NE2 2.96Å; D14-L217 HydrophobicContact CB-CD2 4.13Å
15V97.1Very high92.7Very high1 Ų134.8 Ų34.81%0.00620%0.195CC..Hα-helixtrans-65.6-41-179.6170.90000109.6F11 C12 L13 K17 E18 L19 F30 L35 L213 L217F11-V15 HydrophobicContact CD1-CG2 4.33Å; F11-V15 HydrophobicContact CD2-CG2 4.18Å; F11-V15 HydrophobicContact CE1-CG2 3.88Å; F11-V15 HydrophobicContact CE2-CG2 3.71Å; F11-V15 HydrophobicContact CG-CG2 4.47Å; F11-V15 HydrophobicContact CZ-CG2 3.54Å; F11-V15 WeakPolarHBondContact O-CG2 3.03Å; F11-V15 PolarHBondContact O-N 3.26Å; C12-V15 PolarHBondContact O-N 3.45Å; L13-V15 VanDerWaalsContact C-N 3.3Å; V15-K17 PolarHBondContact O-N 3.39Å; V15-E18 PolarHBondContact O-N 3Å; V15-L19 HydrophobicContact CG1-CD1 3.74Å; V15-L19 HydrophobicContact CG1-CG 4.16Å; V15-L19 WeakPolarHBondContact O-CB 3.15Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 3.36Å; V15-F30 HydrophobicContact CB-CE2 3.86Å; V15-F30 HydrophobicContact CB-CZ 3.82Å; V15-F30 HydrophobicContact CG1-CD1 4.44Å; V15-F30 HydrophobicContact CG1-CD2 4Å; V15-F30 HydrophobicContact CG1-CE1 4.04Å; V15-F30 HydrophobicContact CG1-CE2 3.54Å; V15-F30 HydrophobicContact CG1-CG 4.42Å; V15-F30 HydrophobicContact CG1-CZ 3.57Å; V15-L35 HydrophobicContact CG1-CD1 4.42Å; V15-L213 HydrophobicContact CG1-CD1 4.21Å; V15-L213 HydrophobicContact CG1-CD2 4.4Å; V15-L213 HydrophobicContact CG2-CD2 4.45Å; V15-L217 HydrophobicContact CG2-CD1 4.13Å
16F97.3Very high92.8Very high1 Ų139 Ų390%0.00422%0.217CC..Hα-helixtrans-61-45.4-179.3174.7-102.7000110.2C12 L13 D14 E18 L19 N20 I28 F30 E173 L176 L285 K301C12-F16 WeakPolarHBondContact O-CB 3.4Å; C12-F16 PolarHBondContact O-N 3.16Å; L13-F16 PolarHBondContact O-N 3.18Å; D14-F16 PolarHBondContact O-N 2.98Å; F16-E18 PolarHBondContact O-N 3.17Å; F16-L19 PolarHBondContact O-N 3.33Å; F16-N20 HydrophobicContact CE1-CB 4.46Å; F16-N20 WeakPolarHBondContact O-CB 3.39Å; F16-N20 PolarHBondContact O-N 2.37Å; F16-I28 HydrophobicContact CD2-CG2 4.33Å; F16-I28 HydrophobicContact CE2-CD1 4.29Å; F16-F30 HydrophobicContact CB-CE1 4.26Å; F16-F30 HydrophobicContact CB-CZ 4.28Å; F16-F30 HydrophobicContact CD2-CE1 4.5Å; F16-E173 HydrophobicContact CE1-CG 4.21Å; F16-E173 HydrophobicContact CZ-CG 4.37Å; F16-L176 HydrophobicContact CD1-CD2 4.3Å; F16-L176 HydrophobicContact CE1-CD2 4.22Å; F16-L285 HydrophobicContact CE1-CD1 4.41Å; F16-L285 HydrophobicContact CE1-CD2 4.36Å; F16-L285 HydrophobicContact CE2-CD2 3.88Å; F16-L285 HydrophobicContact CZ-CD1 4.2Å; F16-L285 HydrophobicContact CZ-CD2 3.38Å; F16-L285 HydrophobicContact CZ-CG 4.44Å; F16-K301 HydrophobicContact CE2-CB 4.04Å; F16-K301 HydrophobicContact CZ-CB 4.43Å
17K95.9Very high92.9Very high89 Ų8939 Ų3939%0.38722%0.216SC..Hα-helixtrans-62.5-41.7-177.5-75.9-179.7-176.6176.90110.5L13 D14 V15 L19 N20 S21 L176L13-K17 WeakPolarHBondContact O-CB 3.31Å; L13-K17 VanDerWaalsContact O-CG 3.24Å; L13-K17 WeakPolarHBondContact O-CG 3.49Å; L13-K17 PolarHBondContact O-N 3.02Å; D14-K17 PolarHBondContact O-N 3.26Å; V15-K17 PolarHBondContact O-N 3.39Å; K17-L19 VanDerWaalsContact C-N 3.31Å; K17-N20 PolarHBondContact O-N 3.47Å; K17-S21 PolarHBondContact O-N 3.35Å; K17-S21 PolarHBondContact O-OG 2.93Å; K17-L176 VanDerWaalsContact CE-O 3.25Å; K17-L176 WeakPolarHBondContact CE-O 3.04Å
18E95.9Very high93.1Very high44 Ų4439 Ų3921%0.20622%0.215CC..Hα-helixtrans-65.9-39.9178.9-173.264.4-155.900111.8D14 V15 F16 N20 S21 N22 L213 S216 L217D14-E18 PolarHBondContact O-N 3.39Å; V15-E18 PolarHBondContact O-N 3Å; F16-E18 PolarHBondContact O-N 3.17Å; E18-N20 VanDerWaalsContact C-N 3.25Å; E18-N20 PolarHBondContact O-N 2.96Å; E18-S21 PolarHBondContact O-N 3.16Å; E18-N22 PolarHBondContact O-N 3.14Å; E18-N22 PolarHBondContact O-ND2 3.09Å; E18-L213 HydrophobicContact CB-CD1 4.4Å; E18-L213 HydrophobicContact CB-CG 4.2Å; E18-L213 HydrophobicContact CG-CB 4.48Å; E18-L213 HydrophobicContact CG-CD1 4.24Å; E18-L213 HydrophobicContact CG-CG 3.74Å; E18-S216 WeakPolarHBondContact CG-OG 3.05Å; E18-S216 WeakPolarHBondContact OE1-CB 3.49Å; E18-S216 PolarHBondContact OE1-OG 2.81Å; E18-S216 PolarHBondContact OE2-OG 2.85Å; E18-L217 HydrophobicContact CB-CD2 4.22Å
19L95Very high93.1Very high8 Ų839 Ų394%0.04222%0.215CC..Hα-helixtrans-70.3-37.6179.4-74.4176.2000110.4V15 F16 K17 S21 N22 N23 I28 F30 Y208 L213V15-L19 HydrophobicContact CG1-CD1 3.74Å; V15-L19 HydrophobicContact CG1-CG 4.16Å; V15-L19 WeakPolarHBondContact O-CB 3.15Å; V15-L19 WeakPolarHBondContact O-CG 3.4Å; V15-L19 PolarHBondContact O-N 3.36Å; F16-L19 PolarHBondContact O-N 3.33Å; K17-L19 VanDerWaalsContact C-N 3.31Å; L19-S21 PolarHBondContact O-N 3.06Å; L19-N22 PolarHBondContact O-N 3.2Å; L19-N22 VanDerWaalsContact O-N 3.08Å; L19-N23 WeakPolarHBondContact O-CB 3.41Å; L19-N23 PolarHBondContact O-N 3.27Å; L19-N23 PolarHBondContact O-ND2 3.5Å; L19-I28 HydrophobicContact CB-CD1 4.3Å; L19-I28 HydrophobicContact CB-CG2 4.27Å; L19-I28 HydrophobicContact CD1-CG2 4.03Å; L19-F30 HydrophobicContact CD1-CD1 3.64Å; L19-F30 HydrophobicContact CD1-CE1 3.93Å; L19-F30 HydrophobicContact CD1-CG 4.24Å; L19-Y208 HydrophobicContact CD1-CE1 4.49Å; L19-Y208 HydrophobicContact CD1-CE2 4.18Å; L19-Y208 HydrophobicContact CD2-CD1 3.91Å; L19-Y208 HydrophobicContact CD2-CE1 3.92Å; L19-Y208 HydrophobicContact CD2-CG 4.42Å; L19-L213 HydrophobicContact CD1-CD1 4.19Å; L19-L213 HydrophobicContact CD2-CD1 3.05Å; L19-L213 HydrophobicContact CG-CD1 3.28Å
20N93.6Very high93Very high22 Ų2238.9 Ų38.912%0.11821%0.214CC..Hα-helixtrans-67.2-37.1-177.8-165.539.8000110.8F16 K17 E18 N22 N23 I28 E173 K301F16-N20 HydrophobicContact CE1-CB 4.46Å; F16-N20 WeakPolarHBondContact O-CB 3.39Å; F16-N20 PolarHBondContact O-N 2.37Å; K17-N20 PolarHBondContact O-N 3.47Å; E18-N20 VanDerWaalsContact C-N 3.25Å; E18-N20 PolarHBondContact O-N 2.96Å; N20-N22 PolarHBondContact O-N 3.18Å; N20-N23 PolarHBondContact O-N 2.89Å; N20-I28 VanDerWaalsContact CA-CD1 3.48Å; N20-I28 HydrophobicContact CB-CD1 3.86Å; N20-E173 PolarHBondContact ND2-OE2 3.17Å; N20-K301 PolarHBondContact OD1-NZ 3.17Å
21S91.1Very high92.9Very high84 Ų8436.9 Ų36.959%0.58721%0.207SC*.Hα-helixtrans-66-22.3177.8-64.90000111.3K17 E18 L19K17-S21 PolarHBondContact O-N 3.35Å; K17-S21 PolarHBondContact O-OG 2.93Å; E18-S21 PolarHBondContact O-N 3.16Å; L19-S21 PolarHBondContact O-N 3.06Å
22N85.8Confident92.9Very high103 Ų10336.9 Ų36.955%0.55121%0.207SC*.Hα-helixtrans-100.2-9-176.7-70.7-30.1000111.3E18 L19 N20E18-N22 PolarHBondContact O-N 3.14Å; E18-N22 PolarHBondContact O-ND2 3.09Å; L19-N22 PolarHBondContact O-N 3.2Å; L19-N22 VanDerWaalsContact O-N 3.08Å; N20-N22 PolarHBondContact O-N 3.18Å
23N82.9Confident92.5Very high46 Ų4637.4 Ų37.425%0.24621%0.209CC..SBendtrans-134.968-176.1-64.2-72.7000109.5L19 N20 G25 D26L19-N23 WeakPolarHBondContact O-CB 3.41Å; L19-N23 PolarHBondContact O-N 3.27Å; L19-N23 PolarHBondContact O-ND2 3.5Å; N20-N23 PolarHBondContact O-N 2.89Å; N23-G25 PolarHBondContact O-N 2.61Å; N23-D26 HydrophobicContact CB-CB 4.12Å; N23-D26 PolarHBondContact O-N 3.27Å
24I82.8Confident92.1Very high135 Ų13540 Ų4069%0.69223%0.228SC*.THydrogen-bonded Turntrans-71.8119-173.8-62.6172.5000108.7D26I24-D26 VanDerWaalsContact C-N 3.34Å; I24-D26 PolarHBondContact O-N 3.28Å
25G81.8Confident91.9Very high38 Ų3838.3 Ų38.339%0.39222%0.219SC..THydrogen-bonded Turntrans94.70171.400000111.7N23 Q119 A303N23-G25 PolarHBondContact O-N 2.61Å; G25-Q119 PolarHBondContact O-NE2 2.92Å; G25-A303 WeakPolarHBondContact O-CB 3.09Å
26D90.3Very high91.7Very high90 Ų9038.2 Ų38.248%0.48122%0.218SC..SBend0158.70-70.1-21000109.8N23 I24 K301N23-D26 HydrophobicContact CB-CB 4.12Å; N23-D26 PolarHBondContact O-N 3.27Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-D26 PolarHBondContact O-N 3.28Å; D26-K301 WeakPolarHBondContact O-CE 3.45Å; D26-K301 PolarHBondContact O-NZ 2.8Å
27N93.8Very high91.3Very high47 Ų4741.8 Ų41.825%0.25123%0.232SC..  trans-62.1144.8170.9-66.3-27.9000111.2L204 K301 A303 S304N27-L204 HydrophobicContact CB-CD2 3.81Å; N27-K301 CarbonylContact C-O 3.57Å; N27-K301 WeakPolarHBondContact CA-O 3.39Å; N27-A303 WeakPolarHBondContact OD1-CA 3.38Å; N27-A303 WeakPolarHBondContact OD1-CB 3.41Å; N27-A303 PolarHBondContact OD1-N 2.86Å; N27-S304 PolarHBondContact ND2-O 2.84Å; N27-S304 PolarHBondContact OD1-N 2.89Å; N27-S304 PolarHBondContact OD1-O 3.2Å
28I95.8Very high90.9Very high0 Ų040 Ų400%023%0.234CC..EExtended strand (participates in β ladder)trans-128.4137.4174.6-65.4173.4000108.6F16 L19 N20 F30 G300 K301F16-I28 HydrophobicContact CD2-CG2 4.33Å; F16-I28 HydrophobicContact CE2-CD1 4.29Å; L19-I28 HydrophobicContact CB-CD1 4.3Å; L19-I28 HydrophobicContact CB-CG2 4.27Å; L19-I28 HydrophobicContact CD1-CG2 4.03Å; N20-I28 VanDerWaalsContact CA-CD1 3.48Å; N20-I28 HydrophobicContact CB-CD1 3.86Å; I28-F30 HydrophobicContact CG2-CD1 4.03Å; I28-F30 HydrophobicContact CG2-CE1 4.26Å; I28-G300 CarbonylContact O-C 3.45Å; I28-G300 WeakPolarHBondContact O-CA 3.39Å; I28-K301 HydrophobicContact CB-CB 4Å; I28-K301 HydrophobicContact CG1-CB 4.46Å; I28-K301 PolarHBondContact N-O 2.82Å; I28-K301 PolarHBondContact O-N 2.99Å
29F94.7Very high90.8Very high0 Ų038.5 Ų38.50%023%0.227CC..EExtended strand (participates in β ladder)trans-158.5128.4178.1179.4-119.6000109L204 T206 Y208 S248 L250 F286 F298 C299F29-L204 HydrophobicContact CB-CB 4.18Å; F29-L204 HydrophobicContact CB-CD1 3.94Å; F29-L204 HydrophobicContact CD1-CB 4.12Å; F29-L204 HydrophobicContact CD2-CD1 4.4Å; F29-L204 HydrophobicContact CG-CB 4.23Å; F29-L204 HydrophobicContact CG-CD1 4.18Å; F29-T206 HydrophobicContact CB-CG2 3.95Å; F29-T206 PolarHBondContact O-OG1 3.34Å; F29-Y208 PolarHBondContact N-OH 2.12Å; F29-Y208 WeakPolarHBondContact O-CE2 3.33Å; F29-S248 VanDerWaalsContact CD1-OG 3.25Å; F29-S248 WeakPolarHBondContact CD1-OG 3.33Å; F29-S248 PolarHBondContact O-OG 2.59Å; F29-L250 HydrophobicContact CD1-CB 4.08Å; F29-L250 HydrophobicContact CD2-CD2 4.33Å; F29-L250 HydrophobicContact CE1-CB 3.3Å; F29-L250 HydrophobicContact CE2-CB 3.89Å; F29-L250 HydrophobicContact CE2-CD2 3.7Å; F29-L250 HydrophobicContact CE2-CG 4.32Å; F29-L250 HydrophobicContact CZ-CB 3.18Å; F29-L250 HydrophobicContact CZ-CD1 4.26Å; F29-L250 HydrophobicContact CZ-CD2 3.88Å; F29-L250 HydrophobicContact CZ-CG 3.97Å; F29-F286 AromaticContact CD2-CE2 3.97Å; F29-F286 HydrophobicContact CD2-CE2 3.97Å; F29-F286 AromaticContact CD2-CZ 3.69Å; F29-F286 HydrophobicContact CD2-CZ 3.69Å; F29-F286 AromaticContact CE2-CE2 3.9Å; F29-F286 HydrophobicContact CE2-CE2 3.9Å; F29-F286 HydrophobicContact CE2-CZ 4.07Å; F29-F298 HydrophobicContact CE1-CD1 4.2Å; F29-F298 HydrophobicContact CE2-CB 3.68Å; F29-F298 AromaticContact CE2-CD1 3.76Å; F29-F298 HydrophobicContact CE2-CD1 3.76Å; F29-F298 HydrophobicContact CE2-CG 4.02Å; F29-F298 HydrophobicContact CZ-CB 4.13Å; F29-F298 AromaticContact CZ-CD1 3.36Å; F29-F298 HydrophobicContact CZ-CD1 3.36Å; F29-F298 AromaticContact CZ-CE1 3.98Å; F29-F298 HydrophobicContact CZ-CE1 3.98Å; F29-F298 AromaticContact CZ-CG 3.93Å; F29-F298 HydrophobicContact CZ-CG 3.93Å; F29-C299 WeakPolarHBondContact CA-O 3.28Å
30F94.6Very high90.6Very high1 Ų138.4 Ų38.40%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-157.9163.8176.364.4-82.8000109.5V15 F16 L19 I28 L35 Y208 C299V15-F30 HydrophobicContact CB-CE2 3.86Å; V15-F30 HydrophobicContact CB-CZ 3.82Å; V15-F30 HydrophobicContact CG1-CD1 4.44Å; V15-F30 HydrophobicContact CG1-CD2 4Å; V15-F30 HydrophobicContact CG1-CE1 4.04Å; V15-F30 HydrophobicContact CG1-CE2 3.54Å; V15-F30 HydrophobicContact CG1-CG 4.42Å; V15-F30 HydrophobicContact CG1-CZ 3.57Å; F16-F30 HydrophobicContact CB-CE1 4.26Å; F16-F30 HydrophobicContact CB-CZ 4.28Å; F16-F30 HydrophobicContact CD2-CE1 4.5Å; L19-F30 HydrophobicContact CD1-CD1 3.64Å; L19-F30 HydrophobicContact CD1-CE1 3.93Å; L19-F30 HydrophobicContact CD1-CG 4.24Å; I28-F30 HydrophobicContact CG2-CD1 4.03Å; I28-F30 HydrophobicContact CG2-CE1 4.26Å; F30-L35 HydrophobicContact CD2-CD1 3.72Å; F30-L35 HydrophobicContact CE2-CD1 4.34Å; F30-Y208 HydrophobicContact CB-CD2 4.36Å; F30-Y208 HydrophobicContact CB-CE2 4.06Å; F30-C299 HydrophobicContact CE1-CB 3.89Å; F30-C299 HydrophobicContact CE2-CB 4.42Å; F30-C299 HydrophobicContact CZ-CB 3.84Å; F30-C299 PolarHBondContact N-O 2.72Å; F30-C299 PolarHBondContact O-N 2.79Å
31S94.4Very high90.3Very high14 Ų1440.8 Ų40.810%0.09824%0.239CC..  trans-97.3110.9178.1172.80000109.1L33 S34 L35 H246 L297S31-L33 VanDerWaalsContact C-N 3.35Å; S31-L33 PolarHBondContact O-N 3.35Å; S31-S34 WeakPolarHBondContact OG-CB 3.42Å; S31-S34 PolarHBondContact OG-N 3.33Å; S31-L35 WeakPolarHBondContact O-CG 2.82Å; S31-L35 PolarHBondContact O-N 3.08Å; S31-H246 PolarHBondContact N-NE2 3.49Å; S31-L297 VanDerWaalsContact CA-O 3.29Å; S31-L297 WeakPolarHBondContact CA-O 3.27Å; S31-L297 PolarHBondContact OG-O 3.42Å
32S95Very high90.3Very high0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-68.5-42.3-179.6178.70000111.2N8 C12 S34 L35 L36 L297N8-S32 PolarHBondContact ND2-OG 2.71Å; N8-S32 PolarHBondContact O-OG 3.16Å; C12-S32 WeakPolarHBondContact CA-OG 3.15Å; C12-S32 WeakPolarHBondContact CB-OG 2.99Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 3.32Å; S32-L35 PolarHBondContact O-N 3.19Å; S32-L36 VanDerWaalsContact O-CB 3.3Å; S32-L36 WeakPolarHBondContact O-CB 3.45Å; S32-L36 PolarHBondContact O-N 3.23Å; S32-L297 PolarHBondContact N-O 2.92Å; S32-L297 VanDerWaalsContact N-O 3.16Å
33L90Very high90.6Very high11 Ų1133.2 Ų33.26%0.05819%0.193CC..Hα-helixtrans-64.7-41.5-177.3-177.757.9000111S31 L35 L36 Y37 F87 F91 I94 T295 L297S31-L33 VanDerWaalsContact C-N 3.35Å; S31-L33 PolarHBondContact O-N 3.35Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 3.48Å; L33-L36 PolarHBondContact O-N 3.43Å; L33-Y37 WeakPolarHBondContact O-CB 3.42Å; L33-Y37 PolarHBondContact O-N 2.89Å; L33-F87 HydrophobicContact CD1-CD1 4.36Å; L33-F87 HydrophobicContact CD1-CE1 3.88Å; L33-F91 HydrophobicContact CD2-CE1 4.21Å; L33-F91 HydrophobicContact CG-CE1 4.48Å; L33-I94 HydrophobicContact CD2-CD1 3.63Å; L33-T295 HydrophobicContact CD1-CG2 3.91Å; L33-T295 HydrophobicContact CD2-CG2 4.4Å; L33-L297 HydrophobicContact CD2-CG 4.28Å
34S89.9Confident90.8Very high59 Ų5933.1 Ų33.141%0.41319%0.192SC..Hα-helixtrans-63.1-46.4178.6178.20000111.2S31 S32 L36 Y37 A38S31-S34 WeakPolarHBondContact OG-CB 3.42Å; S31-S34 PolarHBondContact OG-N 3.33Å; S32-S34 VanDerWaalsContact C-N 3.3Å; S32-S34 PolarHBondContact O-N 3.32Å; S34-L36 PolarHBondContact O-N 3.18Å; S34-Y37 PolarHBondContact O-N 2.93Å; S34-A38 PolarHBondContact O-N 2.88Å
35L92.8Very high91.2Very high11 Ų1126.8 Ų26.86%0.05816%0.16CC..Hα-helixtrans-61.7-46.4179.3-73178.6000110.8F11 V15 F30 S31 S32 L33 Y37 A38 L39 L210 H246F11-L35 HydrophobicContact CE1-CB 3.76Å; F11-L35 HydrophobicContact CZ-CB 4.11Å; V15-L35 HydrophobicContact CG1-CD1 4.42Å; F30-L35 HydrophobicContact CD2-CD1 3.72Å; F30-L35 HydrophobicContact CE2-CD1 4.34Å; S31-L35 WeakPolarHBondContact O-CG 2.82Å; S31-L35 PolarHBondContact O-N 3.08Å; S32-L35 PolarHBondContact O-N 3.19Å; L33-L35 VanDerWaalsContact C-N 3.34Å; L33-L35 PolarHBondContact O-N 3.48Å; L35-Y37 PolarHBondContact O-N 2.58Å; L35-A38 PolarHBondContact O-N 3.41Å; L35-L39 WeakPolarHBondContact O-CG 3.43Å; L35-L39 PolarHBondContact O-N 2.72Å; L35-L210 HydrophobicContact CD2-CD1 3.18Å; L35-L210 HydrophobicContact CD2-CG 4.45Å; L35-H246 HydrophobicContact CD2-CB 3.79Å
36L92.6Very high91.7Very high0 Ų025 Ų250%014%0.141CC..Hα-helixtrans-59.3-45.5-179.2-175.364000110.4L4 N8 F11 S32 L33 S34 L39 S40 L58 F60 F87L4-L36 HydrophobicContact CD1-CD2 4.48Å; N8-L36 HydrophobicContact CB-CD2 3.81Å; F11-L36 HydrophobicContact CB-CD1 4.2Å; F11-L36 HydrophobicContact CD1-CB 4.05Å; F11-L36 HydrophobicContact CD1-CD1 3.93Å; F11-L36 HydrophobicContact CE1-CB 4.17Å; F11-L36 HydrophobicContact CE1-CD1 4.46Å; F11-L36 HydrophobicContact CG-CD1 4Å; S32-L36 VanDerWaalsContact O-CB 3.3Å; S32-L36 WeakPolarHBondContact O-CB 3.45Å; S32-L36 PolarHBondContact O-N 3.23Å; L33-L36 PolarHBondContact O-N 3.43Å; S34-L36 PolarHBondContact O-N 3.18Å; L36-L39 PolarHBondContact O-N 3.18Å; L36-S40 WeakPolarHBondContact O-CB 3.47Å; L36-S40 PolarHBondContact O-N 3.36Å; L36-S40 PolarHBondContact O-OG 2.95Å; L36-L58 HydrophobicContact CD1-CB 4.16Å; L36-L58 HydrophobicContact CD1-CD2 3.32Å; L36-L58 HydrophobicContact CD1-CG 4.32Å; L36-F60 HydrophobicContact CD1-CZ 4.2Å; L36-F87 HydrophobicContact CB-CZ 4.46Å; L36-F87 HydrophobicContact CD2-CE1 4.21Å; L36-F87 HydrophobicContact CD2-CZ 3.8Å; L36-F87 HydrophobicContact CG-CE1 4.39Å; L36-F87 HydrophobicContact CG-CZ 3.72Å
37Y89.1Confident91.9Very high75 Ų7525 Ų2529%0.29414%0.135SC..Hα-helixtrans-61.5-49179.6178.3-110.1000111.4L33 S34 L35 L39 S40 M41 F87 F91L33-Y37 WeakPolarHBondContact O-CB 3.42Å; L33-Y37 PolarHBondContact O-N 2.89Å; S34-Y37 PolarHBondContact O-N 2.93Å; L35-Y37 PolarHBondContact O-N 2.58Å; Y37-L39 PolarHBondContact O-N 3.48Å; Y37-S40 WeakPolarHBondContact O-CB 3.28Å; Y37-S40 PolarHBondContact O-N 3.43Å; Y37-S40 VanDerWaalsContact O-N 3.13Å; Y37-M41 HydrophobicContact CE1-CG 4.19Å; Y37-M41 HydrophobicContact CE2-CG 4.4Å; Y37-M41 HydrophobicContact CE2-SD 4.37Å; Y37-M41 WeakPolarHBondContact O-CG 3.32Å; Y37-M41 PolarHBondContact O-N 3.4Å; Y37-F87 HydrophobicContact CD2-CB 3.86Å; Y37-F87 AromaticContact CD2-CD1 3.86Å; Y37-F87 HydrophobicContact CD2-CD1 3.86Å; Y37-F87 HydrophobicContact CD2-CD2 4.06Å; Y37-F87 HydrophobicContact CD2-CE1 4.43Å; Y37-F87 AromaticContact CD2-CG 3.67Å; Y37-F87 HydrophobicContact CD2-CG 3.67Å; Y37-F87 HydrophobicContact CE2-CB 3.95Å; Y37-F87 HydrophobicContact CE2-CG 4.26Å; Y37-F91 HydrophobicContact CD1-CE2 4.3Å; Y37-F91 HydrophobicContact CD1-CZ 4.24Å; Y37-F91 AromaticContact CD2-CE2 3.39Å; Y37-F91 HydrophobicContact CD2-CE2 3.39Å; Y37-F91 AromaticContact CD2-CZ 3.86Å; Y37-F91 HydrophobicContact CD2-CZ 3.86Å; Y37-F91 HydrophobicContact CE1-CE2 4.36Å; Y37-F91 HydrophobicContact CE2-CD2 4.36Å; Y37-F91 AromaticContact CE2-CE2 3.45Å; Y37-F91 HydrophobicContact CE2-CE2 3.45Å; Y37-F91 VanDerWaalsContact CE2-CE2 3.45Å; Y37-F91 HydrophobicContact CE2-CZ 4.29Å; Y37-F91 AromaticContact CG-CE2 3.83Å; Y37-F91 HydrophobicContact CG-CE2 3.83Å; Y37-F91 AromaticContact CG-CZ 3.83Å; Y37-F91 HydrophobicContact CG-CZ 3.83Å; Y37-F91 AromaticContact CZ-CE2 3.95Å
38A88Confident91.9Very high52 Ų5224.6 Ų24.643%0.4314%0.141SC..Hα-helixtrans-58.4-42-178.700000110.8S34 L35 S40 M41 V42S34-A38 PolarHBondContact O-N 2.88Å; L35-A38 PolarHBondContact O-N 3.41Å; A38-S40 PolarHBondContact O-N 3.38Å; A38-M41 WeakPolarHBondContact O-CB 3.48Å; A38-M41 PolarHBondContact O-N 3.03Å; A38-V42 WeakPolarHBondContact O-CG2 3.47Å; A38-V42 PolarHBondContact O-N 3.36Å
39L92.1Very high91.9Very high12 Ų1229.2 Ų29.26%0.06316%0.163CC..Hα-helixtrans-74.5-30.1-177.7-71.1176000110.4F11 L35 L36 Y37 M41 V42 L43 L54 L58 L214F11-L39 HydrophobicContact CE2-CD1 4.07Å; F11-L39 HydrophobicContact CZ-CD1 3.8Å; L35-L39 WeakPolarHBondContact O-CG 3.43Å; L35-L39 PolarHBondContact O-N 2.72Å; L36-L39 PolarHBondContact O-N 3.18Å; Y37-L39 PolarHBondContact O-N 3.48Å; L39-M41 PolarHBondContact O-N 3.46Å; L39-V42 WeakPolarHBondContact O-CB 3.48Å; L39-V42 PolarHBondContact O-N 3.48Å; L39-V42 VanDerWaalsContact O-N 3.16Å; L39-L43 WeakPolarHBondContact O-CB 3.41Å; L39-L43 PolarHBondContact O-N 3.24Å; L39-L54 HydrophobicContact CD2-CD2 4.4Å; L39-L58 HydrophobicContact CB-CD1 4.15Å; L39-L58 HydrophobicContact CB-CD2 3.75Å; L39-L58 HydrophobicContact CB-CG 4.44Å; L39-L58 HydrophobicContact CD1-CD2 3.92Å; L39-L214 HydrophobicContact CD1-CD1 4.44Å; L39-L214 HydrophobicContact CD1-CD2 3.82Å; L39-L214 HydrophobicContact CD2-CD1 3.92Å
40S90.8Very high92Very high6 Ų629.2 Ų29.24%0.04216%0.163CC..Hα-helixtrans-63.3-35174.2-660000111.6L36 Y37 A38 V42 L43 L44 F60 F87L36-S40 WeakPolarHBondContact O-CB 3.47Å; L36-S40 PolarHBondContact O-N 3.36Å; L36-S40 PolarHBondContact O-OG 2.95Å; Y37-S40 WeakPolarHBondContact O-CB 3.28Å; Y37-S40 PolarHBondContact O-N 3.43Å; Y37-S40 VanDerWaalsContact O-N 3.13Å; A38-S40 PolarHBondContact O-N 3.38Å; S40-V42 PolarHBondContact O-N 2.94Å; S40-L43 VanDerWaalsContact O-CB 3.28Å; S40-L43 WeakPolarHBondContact O-CB 3.35Å; S40-L43 PolarHBondContact O-N 3.34Å; S40-L44 PolarHBondContact O-N 3.3Å; S40-L44 VanDerWaalsContact O-N 3.16Å; S40-F60 VanDerWaalsContact OG-CE2 3.28Å; S40-F60 WeakPolarHBondContact OG-CE2 3.44Å; S40-F60 WeakPolarHBondContact OG-CZ 3.25Å; S40-F87 VanDerWaalsContact OG-CE2 3.3Å; S40-F87 WeakPolarHBondContact OG-CE2 3.42Å
41M87.9Confident92Very high73 Ų7331.5 Ų31.536%0.3617%0.173SC..Hα-helixtrans-67.7-35.3177.7-70.5-58.8-68.400110.7Y37 A38 L39 L43 L44 H84Y37-M41 HydrophobicContact CE1-CG 4.19Å; Y37-M41 HydrophobicContact CE2-CG 4.4Å; Y37-M41 HydrophobicContact CE2-SD 4.37Å; Y37-M41 WeakPolarHBondContact O-CG 3.32Å; Y37-M41 PolarHBondContact O-N 3.4Å; A38-M41 WeakPolarHBondContact O-CB 3.48Å; A38-M41 PolarHBondContact O-N 3.03Å; L39-M41 PolarHBondContact O-N 3.46Å; M41-L43 PolarHBondContact O-N 3.49Å; M41-L44 HydrophobicContact CE-CD1 4.29Å; M41-L44 WeakPolarHBondContact O-CB 3.32Å; M41-L44 PolarHBondContact O-N 3.07Å; M41-L44 HydrophobicContact SD-CD1 3.87Å; M41-H84 PolarHBondContact SD-CD2 3.36Å
42V90.9Very high92Very high26 Ų2636.1 Ų36.116%0.15819%0.194CC..Hα-helixtrans-69.3-39177176.70000109.7A38 L39 S40 L44 G45 A46 L54 L222 L230A38-V42 WeakPolarHBondContact O-CG2 3.47Å; A38-V42 PolarHBondContact O-N 3.36Å; L39-V42 WeakPolarHBondContact O-CB 3.48Å; L39-V42 PolarHBondContact O-N 3.48Å; L39-V42 VanDerWaalsContact O-N 3.16Å; S40-V42 PolarHBondContact O-N 2.94Å; V42-L44 PolarHBondContact O-N 3.38Å; V42-L44 VanDerWaalsContact O-N 3.16Å; V42-G45 PolarHBondContact O-N 3.13Å; V42-A46 PolarHBondContact O-N 2.88Å; V42-L54 HydrophobicContact CG1-CD1 3.99Å; V42-L222 HydrophobicContact CG1-CD1 3.63Å; V42-L222 HydrophobicContact CG1-CD2 4.17Å; V42-L230 HydrophobicContact CG1-CD2 4.04Å
43L92.2Very high92Very high1 Ų137.5 Ų37.51%0.00520%0.2CC..Hα-helixtrans-58.2-33.8179.4175.461.9000110.9L39 S40 M41 G45 A46 E51 L54 E55 L58 F60 A80L39-L43 WeakPolarHBondContact O-CB 3.41Å; L39-L43 PolarHBondContact O-N 3.24Å; S40-L43 VanDerWaalsContact O-CB 3.28Å; S40-L43 WeakPolarHBondContact O-CB 3.35Å; S40-L43 PolarHBondContact O-N 3.34Å; M41-L43 PolarHBondContact O-N 3.49Å; L43-G45 PolarHBondContact O-N 2.77Å; L43-A46 PolarHBondContact O-N 3.26Å; L43-E51 HydrophobicContact CD1-CB 4.31Å; L43-E51 HydrophobicContact CD1-CG 3.61Å; L43-L54 HydrophobicContact CB-CD1 4.36Å; L43-L54 HydrophobicContact CD1-CB 3.69Å; L43-L54 HydrophobicContact CD1-CD1 4.3Å; L43-E55 HydrophobicContact CD1-CG 3.7Å; L43-E55 HydrophobicContact CD2-CG 3.83Å; L43-E55 HydrophobicContact CG-CG 4.37Å; L43-L58 HydrophobicContact CB-CD1 4.39Å; L43-L58 HydrophobicContact CD2-CD1 4.06Å; L43-F60 HydrophobicContact CD2-CD2 3.68Å; L43-F60 HydrophobicContact CD2-CE2 4.19Å; L43-A80 HydrophobicContact CG-CB 4.47Å
44L88.1Confident92.3Very high44 Ų4437 Ų3723%0.2320%0.197CC..Hα-helixtrans-59.6-25.2-179.8-74.2177.2000111.3S40 M41 V42 R47 A80 H84S40-L44 PolarHBondContact O-N 3.3Å; S40-L44 VanDerWaalsContact O-N 3.16Å; M41-L44 HydrophobicContact CE-CD1 4.29Å; M41-L44 WeakPolarHBondContact O-CB 3.32Å; M41-L44 PolarHBondContact O-N 3.07Å; M41-L44 HydrophobicContact SD-CD1 3.87Å; V42-L44 PolarHBondContact O-N 3.38Å; V42-L44 VanDerWaalsContact O-N 3.16Å; L44-R47 PolarHBondContact O-NH1 2.95Å; L44-R47 VanDerWaalsContact O-NH1 3.14Å; L44-A80 HydrophobicContact CB-CB 4.32Å; L44-A80 HydrophobicContact CD2-CB 2.79Å; L44-A80 WeakPolarHBondContact CD2-O 3.29Å; L44-A80 HydrophobicContact CG-CB 3.83Å; L44-H84 HydrophobicContact CD1-CB 3.95Å
45G90.4Very high92.4Very high2 Ų235.6 Ų35.62%0.02118%0.184CC..Hα-helixtrans-106.80.6-177.400000111.7V42 L43 L230 G232 M233V42-G45 PolarHBondContact O-N 3.13Å; L43-G45 PolarHBondContact O-N 2.77Å; G45-L230 CarbonylContact O-C 3.54Å; G45-L230 WeakPolarHBondContact O-CA 2.86Å; G45-G232 WeakPolarHBondContact O-CA 3.41Å; G45-G232 PolarHBondContact O-N 3.38Å; G45-M233 VanDerWaalsContact CA-CG 3.4Å
46A93Very high92.5Very high0 Ų042.6 Ų42.60%021%0.214CC..  trans-92.1144.3-175.100000109.2V42 L43 T50 E51 L54 D229 L230V42-A46 PolarHBondContact O-N 2.88Å; L43-A46 PolarHBondContact O-N 3.26Å; A46-T50 HydrophobicContact CB-CG2 3.84Å; A46-E51 HydrophobicContact CB-CB 4.11Å; A46-L54 HydrophobicContact CB-CD1 3.84Å; A46-D229 CarbonylContact C-O 3.17Å; A46-D229 WeakPolarHBondContact CA-O 2.81Å; A46-L230 HydrophobicContact CB-CD2 4.04Å
47R94.1Very high92.6Very high92 Ų9243 Ų4335%0.34722%0.217SC..  trans-131.8167.5176.7-63.7-69.1-174.1-90.3-0.4109.7L44 E49 T50 E51 D229 S231L44-R47 PolarHBondContact O-NH1 2.95Å; L44-R47 VanDerWaalsContact O-NH1 3.14Å; R47-E49 PolarHBondContact O-N 3.4Å; R47-T50 PolarHBondContact O-N 3.5Å; R47-E51 PolarHBondContact O-N 3.17Å; R47-D229 PolarHBondContact N-O 2.92Å; R47-D229 WeakPolarHBondContact O-CB 3.37Å; R47-S231 WeakPolarHBondContact CG-OG 3.46Å
48G93.9Very high92.8Very high37 Ų3739.5 Ų39.538%0.38120%0.203SC..Hα-helixtrans64.1-136.6174.100000111.8T50 E51 E52G48-T50 VanDerWaalsContact C-N 3.3Å; G48-T50 PolarHBondContact O-N 2.65Å; G48-E51 PolarHBondContact O-N 3.05Å; G48-E52 PolarHBondContact O-N 2.72Å
49E95.9Very high93.1Very high97 Ų9738.7 Ų38.745%0.45319%0.19SC..Hα-helixtrans-69.9-31.7-175.7-17061-148.300111.2R47 E51 E52 Q53 D221R47-E49 PolarHBondContact O-N 3.4Å; E49-E51 PolarHBondContact O-N 2.87Å; E49-E52 PolarHBondContact O-N 3.34Å; E49-Q53 HydrophobicContact CG-CG 4.34Å; E49-Q53 VanDerWaalsContact O-CG 3.25Å; E49-Q53 WeakPolarHBondContact O-CG 3.4Å; E49-Q53 PolarHBondContact O-N 3.35Å; E49-D221 VanDerWaalsContact CB-OD2 3.29Å; E49-D221 WeakPolarHBondContact CB-OD2 3.24Å; E49-D221 VanDerWaalsContact CG-OD2 3.25Å; E49-D221 WeakPolarHBondContact CG-OD2 3.4Å
50T95.8Very high92.9Very high1 Ų138.2 Ų38.21%0.00619%0.188CC..Hα-helixtrans-61.1-43.3177.6-58.80000110.7A46 R47 G48 E52 Q53 L54 D221 L222 D229 L230A46-T50 HydrophobicContact CB-CG2 3.84Å; R47-T50 PolarHBondContact O-N 3.5Å; G48-T50 VanDerWaalsContact C-N 3.3Å; G48-T50 PolarHBondContact O-N 2.65Å; T50-E52 VanDerWaalsContact C-N 3.32Å; T50-E52 PolarHBondContact O-N 3.16Å; T50-Q53 PolarHBondContact O-N 2.96Å; T50-L54 HydrophobicContact CG2-CD1 4.24Å; T50-L54 PolarHBondContact O-N 3.31Å; T50-D221 WeakPolarHBondContact OG1-CB 2.97Å; T50-L222 HydrophobicContact CG2-CB 4.29Å; T50-L222 HydrophobicContact CG2-CD1 4.1Å; T50-D229 PolarHBondContact OG1-N 3.48Å; T50-L230 HydrophobicContact CG2-CD2 4.47Å
51E94.9Very high92.1Very high48 Ų4840.4 Ų40.422%0.22420%0.203CC..Hα-helixtrans-65.2-43.3179.3177.7179.9-168.900110.8L43 A46 R47 G48 E49 Q53 L54 E55L43-E51 HydrophobicContact CD1-CB 4.31Å; L43-E51 HydrophobicContact CD1-CG 3.61Å; A46-E51 HydrophobicContact CB-CB 4.11Å; R47-E51 PolarHBondContact O-N 3.17Å; G48-E51 PolarHBondContact O-N 3.05Å; E49-E51 PolarHBondContact O-N 2.87Å; E51-Q53 VanDerWaalsContact C-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.37Å; E51-L54 PolarHBondContact O-N 2.88Å; E51-E55 HydrophobicContact CG-CG 4.31Å; E51-E55 WeakPolarHBondContact O-CB 3.2Å; E51-E55 WeakPolarHBondContact O-CG 3.41Å; E51-E55 PolarHBondContact O-N 3.07Å
52E94Very high91Very high112 Ų11243.8 Ų43.852%0.52322%0.218SC..Hα-helixtrans-63.2-42.5-177.9-72.1179.2-177.900111.2G48 E49 T50 L54 E55 K56G48-E52 PolarHBondContact O-N 2.72Å; E49-E52 PolarHBondContact O-N 3.34Å; T50-E52 VanDerWaalsContact C-N 3.32Å; T50-E52 PolarHBondContact O-N 3.16Å; E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 3.14Å; E52-E55 PolarHBondContact O-N 3.42Å; E52-K56 WeakPolarHBondContact O-CB 3.4Å; E52-K56 PolarHBondContact O-N 3.14Å
53Q96.4Very high89.4Confident28 Ų2843.2 Ų43.213%0.13121%0.214CC..Hα-helixtrans-62.2-41.8178.6-68.5175.9-7.400111.4E49 T50 E51 E55 K56 V57 G218 T220 D221E49-Q53 HydrophobicContact CG-CG 4.34Å; E49-Q53 VanDerWaalsContact O-CG 3.25Å; E49-Q53 WeakPolarHBondContact O-CG 3.4Å; E49-Q53 PolarHBondContact O-N 3.35Å; T50-Q53 PolarHBondContact O-N 2.96Å; E51-Q53 VanDerWaalsContact C-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.37Å; Q53-E55 VanDerWaalsContact C-N 3.31Å; Q53-E55 PolarHBondContact O-N 3.44Å; Q53-K56 PolarHBondContact O-N 3.47Å; Q53-V57 WeakPolarHBondContact O-CG2 3.5Å; Q53-V57 PolarHBondContact O-N 3.36Å; Q53-G218 WeakPolarHBondContact CB-O 3.13Å; Q53-T220 PolarHBondContact NE2-OG1 3.15Å; Q53-T220 VanDerWaalsContact OE1-N 3.09Å; Q53-D221 PolarHBondContact NE2-OD1 3.43Å
54L94.9Very high87.3Confident0 Ų047.2 Ų47.20%024%0.239CC..Hα-helixtrans-68.5-37.9-178.9-82.6168.4000110.6L39 V42 L43 A46 T50 E51 E52 K56 V57 L58 V219 L222L39-L54 HydrophobicContact CD2-CD2 4.4Å; V42-L54 HydrophobicContact CG1-CD1 3.99Å; L43-L54 HydrophobicContact CB-CD1 4.36Å; L43-L54 HydrophobicContact CD1-CB 3.69Å; L43-L54 HydrophobicContact CD1-CD1 4.3Å; A46-L54 HydrophobicContact CB-CD1 3.84Å; T50-L54 HydrophobicContact CG2-CD1 4.24Å; T50-L54 PolarHBondContact O-N 3.31Å; E51-L54 PolarHBondContact O-N 2.88Å; E52-L54 VanDerWaalsContact C-N 3.26Å; E52-L54 PolarHBondContact O-N 3.14Å; L54-K56 PolarHBondContact O-N 3.4Å; L54-V57 PolarHBondContact O-N 3.01Å; L54-L58 WeakPolarHBondContact O-CB 3.33Å; L54-L58 WeakPolarHBondContact O-CG 3.22Å; L54-L58 PolarHBondContact O-N 3.39Å; L54-V219 HydrophobicContact CD2-CG1 3.92Å; L54-V219 HydrophobicContact CD2-CG2 4.12Å; L54-V219 HydrophobicContact CG-CG1 4.3Å; L54-L222 HydrophobicContact CD2-CD2 4.21Å
55E93.1Very high85.2Confident30 Ų3052.1 Ų52.114%0.1427%0.265CS..Hα-helixtrans-65.7-40-178.7-81.2-175.6165.900110.4L43 E51 E52 Q53 V57 L58 H59 F60 Q79L43-E55 HydrophobicContact CD1-CG 3.7Å; L43-E55 HydrophobicContact CD2-CG 3.83Å; L43-E55 HydrophobicContact CG-CG 4.37Å; E51-E55 HydrophobicContact CG-CG 4.31Å; E51-E55 WeakPolarHBondContact O-CB 3.2Å; E51-E55 WeakPolarHBondContact O-CG 3.41Å; E51-E55 PolarHBondContact O-N 3.07Å; E52-E55 PolarHBondContact O-N 3.42Å; Q53-E55 VanDerWaalsContact C-N 3.31Å; Q53-E55 PolarHBondContact O-N 3.44Å; E55-V57 VanDerWaalsContact C-N 3.31Å; E55-L58 PolarHBondContact O-N 3.23Å; E55-H59 PolarHBondContact O-N 2.89Å; E55-F60 PolarHBondContact O-N 3.4Å; E55-Q79 PolarHBondContact OE1-OE1 3.17Å
56K94.1Very high82.9Confident159 Ų15956.1 Ų56.169%0.69129%0.292SS*.Hα-helixtrans-64.7-47.3179.1-176.4178.2177.8-179.70111.4E52 Q53 L54 L58 H59E52-K56 WeakPolarHBondContact O-CB 3.4Å; E52-K56 PolarHBondContact O-N 3.14Å; Q53-K56 PolarHBondContact O-N 3.47Å; L54-K56 PolarHBondContact O-N 3.4Å; K56-L58 PolarHBondContact O-N 3.05Å; K56-H59 PolarHBondContact O-N 2.84Å
57V95.4Very high80.6Confident9 Ų958.1 Ų58.16%0.05530%0.303CS..Hα-helixtrans-67.3-30.7-177167.10000110F11 Q53 L54 E55 H59 L217 V219F11-V57 HydrophobicContact CD2-CG1 4.22Å; F11-V57 WeakPolarHBondContact CD2-O 3.34Å; F11-V57 HydrophobicContact CE2-CG1 4Å; Q53-V57 WeakPolarHBondContact O-CG2 3.5Å; Q53-V57 PolarHBondContact O-N 3.36Å; L54-V57 PolarHBondContact O-N 3.01Å; E55-V57 VanDerWaalsContact C-N 3.31Å; V57-H59 PolarHBondContact O-CD2 3.37Å; V57-H59 VanDerWaalsContact O-CD2 3.24Å; V57-H59 PolarHBondContact O-N 3.38Å; V57-L217 HydrophobicContact CG1-CB 4.22Å; V57-L217 HydrophobicContact CG1-CD1 4.37Å; V57-L217 HydrophobicContact CG2-CB 4.21Å; V57-L217 WeakPolarHBondContact CG2-O 3.38Å; V57-V219 HydrophobicContact CB-CG2 3.79Å; V57-V219 HydrophobicContact CG1-CG2 4.13Å; V57-V219 HydrophobicContact CG2-CG2 3.38Å
58L93.3Very high78Confident0 Ų062.6 Ų62.60%033%0.325CS..Hα-helixtrans-87.7-0.8-177.1-67.6173.7000109.9F11 L36 L39 L43 L54 E55 K56 F60F11-L58 HydrophobicContact CD2-CD2 4.17Å; F11-L58 HydrophobicContact CE2-CD2 4.05Å; F11-L58 HydrophobicContact CZ-CD2 4.46Å; L36-L58 HydrophobicContact CD1-CB 4.16Å; L36-L58 HydrophobicContact CD1-CD2 3.32Å; L36-L58 HydrophobicContact CD1-CG 4.32Å; L39-L58 HydrophobicContact CB-CD1 4.15Å; L39-L58 HydrophobicContact CB-CD2 3.75Å; L39-L58 HydrophobicContact CB-CG 4.44Å; L39-L58 HydrophobicContact CD1-CD2 3.92Å; L43-L58 HydrophobicContact CB-CD1 4.39Å; L43-L58 HydrophobicContact CD2-CD1 4.06Å; L54-L58 WeakPolarHBondContact O-CB 3.33Å; L54-L58 WeakPolarHBondContact O-CG 3.22Å; L54-L58 PolarHBondContact O-N 3.39Å; E55-L58 PolarHBondContact O-N 3.23Å; K56-L58 PolarHBondContact O-N 3.05Å; L58-F60 HydrophobicContact CB-CD1 4.48Å; L58-F60 HydrophobicContact CB-CD2 3.85Å; L58-F60 HydrophobicContact CB-CE2 3.94Å; L58-F60 HydrophobicContact CB-CG 4.14Å; L58-F60 HydrophobicContact CB-CZ 4.29Å; L58-F60 HydrophobicContact CD1-CD2 4.07Å; L58-F60 HydrophobicContact CD1-CE2 3.83Å; L58-F60 HydrophobicContact CG-CE2 4.5Å; L58-F60 PolarHBondContact O-N 2.41Å
59H93.3Very high75.1Confident36 Ų3666.9 Ų66.917%0.16735%0.346CS..THydrogen-bonded Turntrans61.436.3177.9-66.3-82.4000111A7 E10 F11 D14 E55 K56 V57 S61A7-H59 HydrophobicContact CB-CB 4.14Å; E10-H59 HydrophobicContact CB-CB 4.36Å; E10-H59 VanDerWaalsContact OE2-CB 3.31Å; E10-H59 WeakPolarHBondContact OE2-CB 3.38Å; E10-H59 IonicContact OE2-CE1 3.18Å; E10-H59 IonicContact OE2-CG 2.83Å; E10-H59 IonicContact OE2-ND1 3.51Å; E10-H59 PolarHBondContact OE2-ND1 3.15Å; F11-H59 PolarHBondContact N-CD2 3.03Å; D14-H59 IonicContact OD2-CD2 3.54Å; D14-H59 IonicContact OD2-CE1 3.74Å; D14-H59 PolarHBondContact OD2-CE1 3.16Å; D14-H59 VanDerWaalsContact OD2-CE1 3.24Å; D14-H59 IonicContact OD2-NE2 3.97Å; D14-H59 PolarHBondContact OD2-NE2 2.96Å; E55-H59 PolarHBondContact O-N 2.89Å; K56-H59 PolarHBondContact O-N 2.84Å; V57-H59 PolarHBondContact O-CD2 3.37Å; V57-H59 VanDerWaalsContact O-CD2 3.24Å; V57-H59 PolarHBondContact O-N 3.38Å; H59-S61 VanDerWaalsContact C-N 3.29Å
60F87.9Confident72.2Confident1 Ų165.4 Ų65.40%0.00436%0.357CS..  trans-94.61.4178.3-74.9-20.1000109.9L4 A7 L36 S40 L43 E55 L58 H62 T63 Q79 I83 F87L4-F60 HydrophobicContact CD1-CE1 3.82Å; L4-F60 HydrophobicContact CD1-CZ 4.07Å; A7-F60 HydrophobicContact CB-CD1 4.03Å; A7-F60 HydrophobicContact CB-CE1 3.84Å; L36-F60 HydrophobicContact CD1-CZ 4.2Å; S40-F60 VanDerWaalsContact OG-CE2 3.28Å; S40-F60 WeakPolarHBondContact OG-CE2 3.44Å; S40-F60 WeakPolarHBondContact OG-CZ 3.25Å; L43-F60 HydrophobicContact CD2-CD2 3.68Å; L43-F60 HydrophobicContact CD2-CE2 4.19Å; E55-F60 PolarHBondContact O-N 3.4Å; L58-F60 HydrophobicContact CB-CD1 4.48Å; L58-F60 HydrophobicContact CB-CD2 3.85Å; L58-F60 HydrophobicContact CB-CE2 3.94Å; L58-F60 HydrophobicContact CB-CG 4.14Å; L58-F60 HydrophobicContact CB-CZ 4.29Å; L58-F60 HydrophobicContact CD1-CD2 4.07Å; L58-F60 HydrophobicContact CD1-CE2 3.83Å; L58-F60 HydrophobicContact CG-CE2 4.5Å; L58-F60 PolarHBondContact O-N 2.41Å; F60-H62 VanDerWaalsContact C-N 3.31Å; F60-H62 PolarHBondContact O-N 2.92Å; F60-T63 VanDerWaalsContact CA-OG1 3.3Å; F60-T63 WeakPolarHBondContact CA-OG1 3.25Å; F60-T63 PolarHBondContact O-N 3.19Å; F60-T63 PolarHBondContact O-OG1 3.23Å; F60-Q79 PolarHBondContact O-NE2 2.8Å; F60-I83 HydrophobicContact CB-CD1 3.84Å; F60-I83 HydrophobicContact CD1-CD1 3.89Å; F60-I83 HydrophobicContact CD2-CD1 2.97Å; F60-I83 HydrophobicContact CD2-CG1 4.29Å; F60-I83 HydrophobicContact CD2-CG2 4.41Å; F60-I83 HydrophobicContact CE1-CD1 4.18Å; F60-I83 HydrophobicContact CE1-CG2 4.31Å; F60-I83 HydrophobicContact CE2-CB 4.43Å; F60-I83 HydrophobicContact CE2-CD1 3.33Å; F60-I83 HydrophobicContact CE2-CG1 4.3Å; F60-I83 HydrophobicContact CE2-CG2 3.59Å; F60-I83 HydrophobicContact CG-CD1 3.29Å; F60-I83 HydrophobicContact CZ-CD1 3.94Å; F60-I83 HydrophobicContact CZ-CG2 3.54Å; F60-F87 HydrophobicContact CZ-CE2 4.26Å; F60-F87 HydrophobicContact CZ-CZ 4.49Å
61S75.4Confident69.4Low52 Ų5275.1 Ų75.136%0.36440%0.399SS..SBendtrans-72-26.4-175.848.80000110.6H59 V64H59-S61 VanDerWaalsContact C-N 3.29Å; S61-V64 WeakPolarHBondContact O-CG2 3.42Å
62H64Low66.8Low144 Ų14481.5 Ų81.567%0.66743%0.427SS*.SBendtrans-101-4-175.7-62.9-70.5000110.4F60 V64F60-H62 VanDerWaalsContact C-N 3.31Å; F60-H62 PolarHBondContact O-N 2.92Å; H62-V64 PolarHBondContact O-N 1.86Å
63T57.9Low64.3Low15 Ų1583.6 Ų83.69%0.09244%0.441CS..THydrogen-bonded Turntrans-840-177.545.60000109.6F60 D65F60-T63 VanDerWaalsContact CA-OG1 3.3Å; F60-T63 WeakPolarHBondContact CA-OG1 3.25Å; F60-T63 PolarHBondContact O-N 3.19Å; F60-T63 PolarHBondContact O-OG1 3.23Å; T63-D65 VanDerWaalsContact C-N 3.33Å; T63-D65 PolarHBondContact O-N 3.19Å
64V46.9Very low61.5Low85 Ų8585.9 Ų85.952%0.51546%0.46SS..THydrogen-bonded Turn000-178.40000108.9S61 H62S61-V64 WeakPolarHBondContact O-CG2 3.42Å; H62-V64 PolarHBondContact O-N 1.86Å
65D44.7Very low58.9Low147 Ų14792.7 Ų92.779%0.78651%0.505SS*.SBend0-4.40-79.1-23.2000110.2T63T63-D65 VanDerWaalsContact C-N 3.33Å; T63-D65 PolarHBondContact O-N 3.19Å
66S42.8Very low56.7Low85 Ų85100.5 Ų100.559%0.59454%0.538SS*.  trans-113.711.6-173.2-56.10000109.8K68S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 PolarHBondContact O-N 2.48Å
67L44.1Very low54.6Low43 Ų4396.4 Ų96.423%0.22553%0.528CS..SBendtrans-88.40177.8-73.3162.3000109.4R82 E86L67-R82 VanDerWaalsContact CB-CZ 3.48Å; L67-E86 WeakPolarHBondContact CD2-OE1 3.46Å
68K38.8Very low53.2Low185 Ų18599 Ų9980%0.80455%0.547SS*.  000-74.7-169.5-178.3-178.30111.5S66 G70S66-K68 VanDerWaalsContact C-N 3.34Å; S66-K68 PolarHBondContact O-N 2.48Å; K68-G70 PolarHBondContact O-N 2.82Å
69P33.1Very low51.9Low127 Ų127101.9 Ų101.983%0.82556%0.561SS**THydrogen-bonded Turn034.40162.7000111.8
70G35.7Very low50.6Low66 Ų66100.5 Ų100.568%0.6856%0.555SS**THydrogen-bonded Turntrans-116.224.2-174.900000110.7K68K68-G70 PolarHBondContact O-N 2.82Å
71F36.6Very low49.7Very low205 Ų205101 Ų10190%0.89956%0.561SS**  trans-119.368.4162.2-116.7-93.5000109.4D73F71-D73 PolarHBondContact O-N 2.66Å
72K41.3Very low49.7Very low183 Ų183103.5 Ų103.580%0.79656%0.562SS**  trans-55.20158.6-83.4-172.5-177.8-179.60111.1
73D39.5Very low50.3Low156 Ų15697.1 Ų97.183%0.83453%0.533SS*.  000-77.7-28.7000109F71F71-D73 PolarHBondContact O-N 2.66Å
74S39.3Very low51.2Low76 Ų7699.8 Ų99.853%0.53154%0.544SS..  0106.80163.90000109K76S74-K76 PolarHBondContact O-N 3.3Å; S74-K76 PolarHBondContact OG-N 2.64Å
75P40.3Very low52.7Low143 Ų14399 Ų9993%0.92954%0.543SS*.THydrogen-bonded Turntrans-42.20173.910.5-3.7000111.7
76K46.2Very low54.3Low194 Ų19494.7 Ų94.784%0.84352%0.518SS*.THydrogen-bonded Turn015.10-85.6-179.5-177.21800109.5S74 S78S74-K76 PolarHBondContact O-N 3.3Å; S74-K76 PolarHBondContact OG-N 2.64Å; K76-S78 PolarHBondContact O-N 2.53Å
77C50Low56.1Low72 Ų7290.7 Ų90.749%0.48649%0.49SS..  trans-107.7105.1-174.6-153.90000108.9
78S65.7Low57.4Low64 Ų6490.6 Ų90.645%0.44850%0.499SS..  trans-52.9144.5175.468.10000111.4K76 A80 G81 R82K76-S78 PolarHBondContact O-N 2.53Å; S78-A80 PolarHBondContact O-N 2.97Å; S78-G81 WeakPolarHBondContact O-CA 3.29Å; S78-G81 PolarHBondContact O-N 3.16Å; S78-G81 PolarHBondContact OG-N 3.42Å; S78-R82 PolarHBondContact O-N 3.01Å
79Q66.4Low59.3Low61 Ų6185.7 Ų85.729%0.28548%0.484SS..Hα-helixtrans-34.6-48.2174.3-176.51756.500111.6E55 F60 G81 R82 I83E55-Q79 PolarHBondContact OE1-OE1 3.17Å; F60-Q79 PolarHBondContact O-NE2 2.8Å; Q79-G81 PolarHBondContact O-N 3.39Å; Q79-R82 PolarHBondContact O-N 2.99Å; Q79-I83 PolarHBondContact O-N 3.1Å
80A65.3Low61.4Low6 Ų680.1 Ų80.15%0.0545%0.447CS..Hα-helixtrans-59.8-35.7177.200000111.2L43 L44 S78 R82 I83 H84L43-A80 HydrophobicContact CG-CB 4.47Å; L44-A80 HydrophobicContact CB-CB 4.32Å; L44-A80 HydrophobicContact CD2-CB 2.79Å; L44-A80 WeakPolarHBondContact CD2-O 3.29Å; L44-A80 HydrophobicContact CG-CB 3.83Å; S78-A80 PolarHBondContact O-N 2.97Å; A80-R82 VanDerWaalsContact C-N 3.32Å; A80-I83 PolarHBondContact O-N 3.43Å; A80-H84 PolarHBondContact O-N 2.83Å
81G70Confident63.3Low12 Ų1279.7 Ų79.712%0.12443%0.427CS..Hα-helixtrans-66.1-37.4176.300000112S78 Q79 H84 S85S78-G81 WeakPolarHBondContact O-CA 3.29Å; S78-G81 PolarHBondContact O-N 3.16Å; S78-G81 PolarHBondContact OG-N 3.42Å; Q79-G81 PolarHBondContact O-N 3.39Å; G81-H84 WeakPolarHBondContact O-CB 3.38Å; G81-H84 PolarHBondContact O-N 3.18Å; G81-S85 PolarHBondContact O-N 3.31Å; G81-S85 VanDerWaalsContact O-N 3.09Å; G81-S85 PolarHBondContact O-OG 2.29Å
82R74.7Confident64.9Low105 Ų10573 Ų7340%0.39641%0.406SS..Hα-helixtrans-67-41.7177.2-70.8173.975.7180-2.1111.1L67 S78 Q79 A80 H84 S85 E86L67-R82 VanDerWaalsContact CB-CZ 3.48Å; S78-R82 PolarHBondContact O-N 3.01Å; Q79-R82 PolarHBondContact O-N 2.99Å; A80-R82 VanDerWaalsContact C-N 3.32Å; R82-H84 PolarHBondContact O-N 3.04Å; R82-S85 WeakPolarHBondContact O-CB 3.35Å; R82-S85 PolarHBondContact O-N 2Å; R82-E86 WeakPolarHBondContact O-CG 3.28Å; R82-E86 PolarHBondContact O-N 2.22Å
83I77.6Confident66.4Low10 Ų1067.4 Ų67.45%0.05138%0.382CS..Hα-helixtrans-62-39.7178.2-69.4172.3000109.8L4 F60 Q79 A80 S85 E86 F87L4-I83 HydrophobicContact CD1-CG2 4.4Å; F60-I83 HydrophobicContact CB-CD1 3.84Å; F60-I83 HydrophobicContact CD1-CD1 3.89Å; F60-I83 HydrophobicContact CD2-CD1 2.97Å; F60-I83 HydrophobicContact CD2-CG1 4.29Å; F60-I83 HydrophobicContact CD2-CG2 4.41Å; F60-I83 HydrophobicContact CE1-CD1 4.18Å; F60-I83 HydrophobicContact CE1-CG2 4.31Å; F60-I83 HydrophobicContact CE2-CB 4.43Å; F60-I83 HydrophobicContact CE2-CD1 3.33Å; F60-I83 HydrophobicContact CE2-CG1 4.3Å; F60-I83 HydrophobicContact CE2-CG2 3.59Å; F60-I83 HydrophobicContact CG-CD1 3.29Å; F60-I83 HydrophobicContact CZ-CD1 3.94Å; F60-I83 HydrophobicContact CZ-CG2 3.54Å; Q79-I83 PolarHBondContact O-N 3.1Å; A80-I83 PolarHBondContact O-N 3.43Å; I83-S85 VanDerWaalsContact C-N 3.25Å; I83-S85 PolarHBondContact O-N 3.41Å; I83-E86 WeakPolarHBondContact O-CB 3.25Å; I83-E86 PolarHBondContact O-N 2.83Å; I83-E86 VanDerWaalsContact O-N 3.14Å; I83-F87 HydrophobicContact CG2-CD2 3.62Å; I83-F87 HydrophobicContact CG2-CE2 3.32Å; I83-F87 HydrophobicContact CG2-CZ 4.47Å; I83-F87 WeakPolarHBondContact O-CD2 3.3Å; I83-F87 PolarHBondContact O-N 0.16Å
84H76.4Confident67.7Low71 Ų7161.1 Ų61.133%0.32935%0.349SS..Hα-helixtrans-61.1-45.8177.6178-91.4000110.9M41 L44 A80 G81 R82 E86 F87 G88M41-H84 PolarHBondContact SD-CD2 3.36Å; L44-H84 HydrophobicContact CD1-CB 3.95Å; A80-H84 PolarHBondContact O-N 2.83Å; G81-H84 WeakPolarHBondContact O-CB 3.38Å; G81-H84 PolarHBondContact O-N 3.18Å; R82-H84 PolarHBondContact O-N 3.04Å; H84-E86 PolarHBondContact O-N 3.07Å; H84-F87 WeakPolarHBondContact O-CB 3.38Å; H84-F87 PolarHBondContact O-N 3.28Å; H84-G88 PolarHBondContact O-N 3.34Å
85S78.1Confident68.7Low69 Ų6962.6 Ų62.648%0.48335%0.351SS..Hα-helixtrans-61-39179.1-63.10000111.1G81 R82 I83 F87 G88 V89G81-S85 PolarHBondContact O-N 3.31Å; G81-S85 VanDerWaalsContact O-N 3.09Å; G81-S85 PolarHBondContact O-OG 2.29Å; R82-S85 WeakPolarHBondContact O-CB 3.35Å; R82-S85 PolarHBondContact O-N 2Å; I83-S85 VanDerWaalsContact C-N 3.25Å; I83-S85 PolarHBondContact O-N 3.41Å; S85-F87 PolarHBondContact O-N 2.88Å; S85-G88 CarbonylContact O-C 3.54Å; S85-G88 VanDerWaalsContact O-CA 3.28Å; S85-G88 WeakPolarHBondContact O-CA 3.44Å; S85-G88 PolarHBondContact O-N 3.29Å; S85-V89 PolarHBondContact O-N 3.12Å
86E79.2Confident69.6Low55 Ų5560.7 Ų60.726%0.25733%0.329SS..Hα-helixtrans-62.3-40.8177.6-77.6-174.6-175.900111.5L4 L67 R82 I83 H84 G88 V89 E90L4-E86 HydrophobicContact CD2-CB 4Å; L67-E86 WeakPolarHBondContact CD2-OE1 3.46Å; R82-E86 WeakPolarHBondContact O-CG 3.28Å; R82-E86 PolarHBondContact O-N 2.22Å; I83-E86 WeakPolarHBondContact O-CB 3.25Å; I83-E86 PolarHBondContact O-N 2.83Å; I83-E86 VanDerWaalsContact O-N 3.14Å; H84-E86 PolarHBondContact O-N 3.07Å; E86-G88 PolarHBondContact O-N 3.21Å; E86-V89 PolarHBondContact O-N 3.16Å; E86-V89 VanDerWaalsContact O-N 3.15Å; E86-E90 PolarHBondContact O-N 3.49Å
87F79.2Confident69.6Low1 Ų157.7 Ų57.70%0.00433%0.33CS..Hα-helixtrans-600175.4-86-69.2000111L4 L33 L36 Y37 S40 F60 I83 H84 S85 V89 E90 F91L4-F87 HydrophobicContact CD1-CE1 4.27Å; L4-F87 HydrophobicContact CD1-CE2 3.97Å; L4-F87 HydrophobicContact CD1-CZ 3.75Å; L4-F87 HydrophobicContact CD2-CD1 4.09Å; L4-F87 HydrophobicContact CD2-CE1 4.12Å; L4-F87 HydrophobicContact CD2-CG 4.29Å; L4-F87 HydrophobicContact CD2-CZ 4.36Å; L4-F87 HydrophobicContact CG-CZ 4.47Å; L33-F87 HydrophobicContact CD1-CD1 4.36Å; L33-F87 HydrophobicContact CD1-CE1 3.88Å; L36-F87 HydrophobicContact CB-CZ 4.46Å; L36-F87 HydrophobicContact CD2-CE1 4.21Å; L36-F87 HydrophobicContact CD2-CZ 3.8Å; L36-F87 HydrophobicContact CG-CE1 4.39Å; L36-F87 HydrophobicContact CG-CZ 3.72Å; Y37-F87 HydrophobicContact CD2-CB 3.86Å; Y37-F87 AromaticContact CD2-CD1 3.86Å; Y37-F87 HydrophobicContact CD2-CD1 3.86Å; Y37-F87 HydrophobicContact CD2-CD2 4.06Å; Y37-F87 HydrophobicContact CD2-CE1 4.43Å; Y37-F87 AromaticContact CD2-CG 3.67Å; Y37-F87 HydrophobicContact CD2-CG 3.67Å; Y37-F87 HydrophobicContact CE2-CB 3.95Å; Y37-F87 HydrophobicContact CE2-CG 4.26Å; S40-F87 VanDerWaalsContact OG-CE2 3.3Å; S40-F87 WeakPolarHBondContact OG-CE2 3.42Å; F60-F87 HydrophobicContact CZ-CE2 4.26Å; F60-F87 HydrophobicContact CZ-CZ 4.49Å; I83-F87 HydrophobicContact CG2-CD2 3.62Å; I83-F87 HydrophobicContact CG2-CE2 3.32Å; I83-F87 HydrophobicContact CG2-CZ 4.47Å; I83-F87 WeakPolarHBondContact O-CD2 3.3Å; I83-F87 PolarHBondContact O-N 0.16Å; H84-F87 WeakPolarHBondContact O-CB 3.38Å; H84-F87 PolarHBondContact O-N 3.28Å; S85-F87 PolarHBondContact O-N 2.88Å; F87-V89 PolarHBondContact O-N 3.5Å; F87-E90 CarbonylContact O-C 3.49Å; F87-E90 WeakPolarHBondContact O-CB 3.4Å; F87-E90 PolarHBondContact O-N 1.94Å; F87-E90 VanDerWaalsContact O-N 3.14Å; F87-F91 HydrophobicContact CB-CD2 4.2Å; F87-F91 HydrophobicContact CB-CE2 3.99Å; F87-F91 HydrophobicContact CD1-CE2 4.2Å; F87-F91 HydrophobicContact CG-CE2 4.47Å; F87-F91 WeakPolarHBondContact O-CB 3.35Å; F87-F91 WeakPolarHBondContact O-CD2 3.42Å; F87-F91 WeakPolarHBondContact O-CG 3.39Å; F87-F91 PolarHBondContact O-N 3.37Å
88G72.7Confident69.6Low41 Ų4161.9 Ų61.942%0.42335%0.347SS..Hα-helix0-43.8000000112H84 S85 E86 E90 F91 S92H84-G88 PolarHBondContact O-N 3.34Å; S85-G88 CarbonylContact O-C 3.54Å; S85-G88 VanDerWaalsContact O-CA 3.28Å; S85-G88 WeakPolarHBondContact O-CA 3.44Å; S85-G88 PolarHBondContact O-N 3.29Å; E86-G88 PolarHBondContact O-N 3.21Å; G88-E90 VanDerWaalsContact C-N 3.29Å; G88-F91 PolarHBondContact O-N 3.45Å; G88-S92 PolarHBondContact O-N 3.4Å
89V78.5Confident68.5Low82 Ų8260.3 Ų60.350%0.49734%0.336SS..Hα-helixtrans-65.6-42.9179.9174.20000110.1S85 E86 F87 F91 S92 Q93S85-V89 PolarHBondContact O-N 3.12Å; E86-V89 PolarHBondContact O-N 3.16Å; E86-V89 VanDerWaalsContact O-N 3.15Å; F87-V89 PolarHBondContact O-N 3.5Å; V89-F91 VanDerWaalsContact C-N 3.3Å; V89-F91 PolarHBondContact O-N 3.18Å; V89-S92 VanDerWaalsContact C-OG 3.25Å; V89-S92 WeakPolarHBondContact CA-OG 3.41Å; V89-S92 WeakPolarHBondContact O-CB 3.13Å; V89-S92 PolarHBondContact O-N 3.5Å; V89-S92 PolarHBondContact O-OG 3.42Å; V89-Q93 WeakPolarHBondContact O-CG 3.03Å; V89-Q93 PolarHBondContact O-N 2.98Å
90E76.4Confident67.1Low11 Ų1165.1 Ų65.15%0.05136%0.364CS..Hα-helixtrans-60.6-45.8179.2-164.6165.2-175.400111.8L4 E86 F87 G88 S92 Q93 I94 T295L4-E90 WeakPolarHBondContact CD2-OE2 3.48Å; E86-E90 PolarHBondContact O-N 3.49Å; F87-E90 CarbonylContact O-C 3.49Å; F87-E90 WeakPolarHBondContact O-CB 3.4Å; F87-E90 PolarHBondContact O-N 1.94Å; F87-E90 VanDerWaalsContact O-N 3.14Å; G88-E90 VanDerWaalsContact C-N 3.29Å; E90-S92 PolarHBondContact O-N 3.46Å; E90-Q93 PolarHBondContact O-N 3.48Å; E90-I94 HydrophobicContact CG-CD1 3.99Å; E90-I94 WeakPolarHBondContact O-CG1 3.39Å; E90-I94 PolarHBondContact O-N 3.42Å; E90-T295 WeakPolarHBondContact OE1-CB 3.35Å; E90-T295 WeakPolarHBondContact OE1-CG2 3.32Å; E90-T295 PolarHBondContact OE1-OG1 3.38Å
91F76.4Confident65.9Low56 Ų5668.6 Ų68.625%0.24639%0.387CS..Hα-helixtrans-67-34.1-177-79-54.3000109.8L33 Y37 F87 G88 V89 Q93 I94 N95L33-F91 HydrophobicContact CD2-CE1 4.21Å; L33-F91 HydrophobicContact CG-CE1 4.48Å; Y37-F91 HydrophobicContact CD1-CE2 4.3Å; Y37-F91 HydrophobicContact CD1-CZ 4.24Å; Y37-F91 AromaticContact CD2-CE2 3.39Å; Y37-F91 HydrophobicContact CD2-CE2 3.39Å; Y37-F91 AromaticContact CD2-CZ 3.86Å; Y37-F91 HydrophobicContact CD2-CZ 3.86Å; Y37-F91 HydrophobicContact CE1-CE2 4.36Å; Y37-F91 HydrophobicContact CE2-CD2 4.36Å; Y37-F91 AromaticContact CE2-CE2 3.45Å; Y37-F91 HydrophobicContact CE2-CE2 3.45Å; Y37-F91 VanDerWaalsContact CE2-CE2 3.45Å; Y37-F91 HydrophobicContact CE2-CZ 4.29Å; Y37-F91 AromaticContact CG-CE2 3.83Å; Y37-F91 HydrophobicContact CG-CE2 3.83Å; Y37-F91 AromaticContact CG-CZ 3.83Å; Y37-F91 HydrophobicContact CG-CZ 3.83Å; Y37-F91 AromaticContact CZ-CE2 3.95Å; F87-F91 HydrophobicContact CB-CD2 4.2Å; F87-F91 HydrophobicContact CB-CE2 3.99Å; F87-F91 HydrophobicContact CD1-CE2 4.2Å; F87-F91 HydrophobicContact CG-CE2 4.47Å; F87-F91 WeakPolarHBondContact O-CB 3.35Å; F87-F91 WeakPolarHBondContact O-CD2 3.42Å; F87-F91 WeakPolarHBondContact O-CG 3.39Å; F87-F91 PolarHBondContact O-N 3.37Å; G88-F91 PolarHBondContact O-N 3.45Å; V89-F91 VanDerWaalsContact C-N 3.3Å; V89-F91 PolarHBondContact O-N 3.18Å; F91-Q93 PolarHBondContact O-N 3.03Å; F91-I94 PolarHBondContact O-N 3.3Å; F91-I94 VanDerWaalsContact O-N 3.16Å; F91-N95 WeakPolarHBondContact O-CA 3.48Å; F91-N95 WeakPolarHBondContact O-CB 3.48Å; F91-N95 PolarHBondContact O-N 3.4Å
92S70.6Confident64.5Low66 Ų6673 Ų7346%0.46241%0.411SS..Hα-helixtrans-64.1-32.9177.568.40000111.3G88 V89 E90 I94 Q96G88-S92 PolarHBondContact O-N 3.4Å; V89-S92 VanDerWaalsContact C-OG 3.25Å; V89-S92 WeakPolarHBondContact CA-OG 3.41Å; V89-S92 WeakPolarHBondContact O-CB 3.13Å; V89-S92 PolarHBondContact O-N 3.5Å; V89-S92 PolarHBondContact O-OG 3.42Å; E90-S92 PolarHBondContact O-N 3.46Å; S92-I94 VanDerWaalsContact C-N 3.28Å; S92-Q96 WeakPolarHBondContact O-CG 3.44Å; S92-Q96 PolarHBondContact O-N 2.89Å
93Q70.9Confident63.1Low65 Ų6571 Ų7130%0.30441%0.408SS..Hα-helixtrans-74.7-31.6179.6-70177.81.400110.8V89 E90 F91V89-Q93 WeakPolarHBondContact O-CG 3.03Å; V89-Q93 PolarHBondContact O-N 2.98Å; E90-Q93 PolarHBondContact O-N 3.48Å; F91-Q93 PolarHBondContact O-N 3.03Å
94I68.6Low61.4Low24 Ų2471.3 Ų71.312%0.12341%0.411CS..Hα-helixtrans-830-176.7-69.6172.1000109.1L33 E90 F91 S92L33-I94 HydrophobicContact CD2-CD1 3.63Å; E90-I94 HydrophobicContact CG-CD1 3.99Å; E90-I94 WeakPolarHBondContact O-CG1 3.39Å; E90-I94 PolarHBondContact O-N 3.42Å; F91-I94 PolarHBondContact O-N 3.3Å; F91-I94 VanDerWaalsContact O-N 3.16Å; S92-I94 VanDerWaalsContact C-N 3.28Å
95N60.3Low59.8Low107 Ų10768.5 Ų68.557%0.57240%0.399SS*.SBend024.60-75.9-29.5000109.7F91F91-N95 WeakPolarHBondContact O-CA 3.48Å; F91-N95 WeakPolarHBondContact O-CB 3.48Å; F91-N95 PolarHBondContact O-N 3.4Å
96Q59.2Low57.8Low103 Ų10367 Ų6748%0.48139%0.39SS..  trans-58.30176.5-73.6-155-600110.6S92 D98 S99S92-Q96 WeakPolarHBondContact O-CG 3.44Å; S92-Q96 PolarHBondContact O-N 2.89Å; Q96-D98 PolarHBondContact O-N 3Å; Q96-S99 PolarHBondContact O-N 2.95Å; Q96-S99 PolarHBondContact O-OG 3.29Å
97P44.4Very low55.9Low131 Ų13166.4 Ų66.485%0.85139%0.389SS*.THydrogen-bonded Turn0-0.706.6-4.5000111.8S99P97-S99 PolarHBondContact O-N 3.04Å
98D49.9Very low54.6Low159 Ų15969.3 Ų69.385%0.8540%0.4SS*.THydrogen-bonded Turntrans-98.50173.1-82.3-22.9000110.6Q96Q96-D98 PolarHBondContact O-N 3Å
99S44.5Very low53.5Low31 Ų3167.8 Ų67.822%0.21738%0.382CS..  060.1040.20000109.3Q96 P97 C101Q96-S99 PolarHBondContact O-N 2.95Å; Q96-S99 PolarHBondContact O-OG 3.29Å; P97-S99 PolarHBondContact O-N 3.04Å; S99-C101 PolarHBondContact O-N 3.35Å
100N37.1Very low51.8Low162 Ų16271.4 Ų71.487%0.86639%0.388SS*.  trans-30.10156.4-87.5-5.8000111.8T102N100-T102 PolarHBondContact O-N 2.93Å
101C40Very low50.6Low79 Ų7973.4 Ų73.453%0.53441%0.411SS..  0620-99.10000109.9S99S99-C101 PolarHBondContact O-N 3.35Å
102T40.5Very low49.4Very low104 Ų10474 Ų7464%0.63842%0.419SS*.  trans-73.10158.8-54.20000109.5N100 S104N100-T102 PolarHBondContact O-N 2.93Å; T102-S104 PolarHBondContact O-N 2.83Å
103L44Very low49.1Very low64 Ų6478.6 Ų78.634%0.33543%0.431SS..  0780-66168000110.8Y151 L156 L250 F298L103-Y151 VanDerWaalsContact C-CE1 3.45Å; L103-Y151 HydrophobicContact CB-CD1 4.25Å; L103-Y151 HydrophobicContact CB-CE1 3.72Å; L103-Y151 HydrophobicContact CD2-CD1 4.48Å; L103-Y151 HydrophobicContact CD2-CE1 4.31Å; L103-L156 HydrophobicContact CD2-CD1 3.58Å; L103-L250 HydrophobicContact CD1-CD1 4.5Å; L103-F298 HydrophobicContact CD1-CE2 4.25Å
104S41.8Very low49.2Very low16 Ų1680.7 Ų80.711%0.11245%0.448CS..  trans-108.6103.9177.2178.40000109.4T102 A106 Y151 V152 E255 G256T102-S104 PolarHBondContact O-N 2.83Å; S104-A106 PolarHBondContact O-N 3.33Å; S104-Y151 WeakPolarHBondContact O-CD1 3.16Å; S104-V152 PolarHBondContact O-N 3.12Å; S104-E255 WeakPolarHBondContact CB-O 2.67Å; S104-E255 PolarHBondContact OG-O 3.45Å; S104-G256 PolarHBondContact OG-N 3.01Å
105I44.2Very low49.6Very low13 Ų1381.1 Ų81.17%0.06745%0.45CS..BIsolated β-bridgetrans-45.50178.3-64.3172.2000109.2N107 L149 Y151 M158 V252I105-N107 HydrophobicContact CG2-CB 4.32Å; I105-N107 WeakPolarHBondContact CG2-O 3.48Å; I105-N107 PolarHBondContact O-N 2.94Å; I105-L149 HydrophobicContact CG2-CB 4.2Å; I105-Y151 HydrophobicContact CB-CD1 4.47Å; I105-Y151 HydrophobicContact CB-CE1 4.36Å; I105-Y151 HydrophobicContact CG1-CD1 4.07Å; I105-Y151 HydrophobicContact CG1-CE1 3.51Å; I105-Y151 HydrophobicContact CG1-CE2 4.27Å; I105-M158 HydrophobicContact CD1-CE 4.26Å; I105-M158 HydrophobicContact CD1-SD 4.32Å; I105-V252 HydrophobicContact CD1-CG1 3.96Å
106A34.3Very low50.5Low36 Ų3677.8 Ų77.830%0.29844%0.438SS..SBend00000000110.1S104 P150 Y151 V152S104-A106 PolarHBondContact O-N 3.33Å; A106-P150 WeakPolarHBondContact CA-O 3.21Å; A106-P150 WeakPolarHBondContact CB-O 3.06Å; A106-P150 PolarHBondContact N-O 2.57Å; A106-Y151 WeakPolarHBondContact CB-O 3.33Å; A106-Y151 VanDerWaalsContact N-CA 3.28Å; A106-V152 HydrophobicContact CB-CB 4.25Å; A106-V152 HydrophobicContact CB-CG2 4.08Å
107N39.4Very low51.6Low43 Ų4373 Ų7323%0.2342%0.415CS..SBend081.80-72.8-29.3000110.5I105 L109 Q130 F134 P150I105-N107 HydrophobicContact CG2-CB 4.32Å; I105-N107 WeakPolarHBondContact CG2-O 3.48Å; I105-N107 PolarHBondContact O-N 2.94Å; N107-L109 PolarHBondContact O-N 3.42Å; N107-L109 VanDerWaalsContact O-N 3.07Å; N107-Q130 PolarHBondContact O-NE2 2.53Å; N107-Q130 VanDerWaalsContact O-NE2 3.14Å; N107-Q130 PolarHBondContact O-OE1 3.49Å; N107-Q130 VanDerWaalsContact O-OE1 3.06Å; N107-F134 HydrophobicContact CB-CE1 3.33Å; N107-F134 HydrophobicContact CB-CZ 3.58Å; N107-F134 WeakPolarHBondContact ND2-CD1 3.2Å; N107-F134 WeakPolarHBondContact ND2-CE1 3.15Å; N107-P150 WeakPolarHBondContact ND2-CD 3.25Å; N107-P150 WeakPolarHBondContact ND2-CG 3.46Å
108R52.4Low53.3Low63 Ų6370.7 Ų70.724%0.23839%0.393CS..  trans-56.80-167.3-77.9-175.5-172-171.4-1.4110.4Y110 Q130 G256 T257R108-Y110 WeakPolarHBondContact O-CE2 3.49Å; R108-Y110 PolarHBondContact O-N 2.87Å; R108-Q130 WeakPolarHBondContact O-CB 3.39Å; R108-Q130 PolarHBondContact O-OE1 3.2Å; R108-G256 WeakPolarHBondContact CD-O 3.05Å; R108-G256 WeakPolarHBondContact CG-O 2.87Å; R108-G256 CovalentContact CZ-C 1.19Å; R108-G256 CovalentContact CZ-O 1.24Å; R108-G256 PolarHBondContact NE-O 3.36Å; R108-G256 PolarHBondContact NH1-O 3.34Å; R108-G256 VanDerWaalsContact NH2-N 3.12Å; R108-G256 PolarHBondContact NH2-O 3.01Å; R108-T257 CovalentContact CZ-N 0.94Å; R108-T257 CovalentContact NH1-CA 1.35Å; R108-T257 PolarHBondContact NH1-OG1 3.36Å; R108-T257 CovalentContact NH2-N 0.72Å; R108-T257 PolarHBondContact NH2-O 3.47Å; R108-T257 PolarHBondContact NH2-OG1 3.49Å
109L50.2Low54.2Low8 Ų866.1 Ų66.14%0.04237%0.367CS..  000-70.3166.4000110.5N107 M128 Y129 Q130 V197 L199N107-L109 PolarHBondContact O-N 3.42Å; N107-L109 VanDerWaalsContact O-N 3.07Å; L109-M128 HydrophobicContact CB-CB 3.18Å; L109-M128 HydrophobicContact CB-CG 4.23Å; L109-M128 HydrophobicContact CB-SD 4.23Å; L109-M128 HydrophobicContact CD1-CB 3.39Å; L109-M128 HydrophobicContact CD1-CE 3.1Å; L109-M128 HydrophobicContact CD1-CG 4.27Å; L109-M128 HydrophobicContact CD1-SD 3.92Å; L109-M128 HydrophobicContact CG-CB 3.86Å; L109-M128 HydrophobicContact CG-CE 4.39Å; L109-Y129 CarbonylContact C-O 3.45Å; L109-Y129 WeakPolarHBondContact CA-O 3.33Å; L109-Q130 HydrophobicContact CB-CB 4.3Å; L109-Q130 HydrophobicContact CB-CG 4.31Å; L109-Q130 HydrophobicContact CD2-CB 3.61Å; L109-Q130 HydrophobicContact CD2-CG 2.86Å; L109-Q130 VanDerWaalsContact CD2-NE2 3.26Å; L109-Q130 HydrophobicContact CG-CB 4.36Å; L109-Q130 HydrophobicContact CG-CG 3.81Å; L109-V197 HydrophobicContact CD2-CB 3.81Å; L109-V197 HydrophobicContact CD2-CG1 3.67Å; L109-L199 HydrophobicContact CD1-CB 3.35Å; L109-L199 HydrophobicContact CD1-CD2 3.67Å; L109-L199 HydrophobicContact CD1-CG 4.06Å
110Y42.3Very low55.2Low159 Ų15969.4 Ų69.462%0.62441%0.405SS*.EExtended strand (participates in β ladder)000-63.3-87.3000111.1R108 Y129 Q130R108-Y110 WeakPolarHBondContact O-CE2 3.49Å; R108-Y110 PolarHBondContact O-N 2.87Å; Y110-Y129 CarbonylContact C-O 3.56Å; Y110-Y129 WeakPolarHBondContact CA-O 3.43Å; Y110-Y129 VanDerWaalsContact CB-O 3.31Å; Y110-Y129 WeakPolarHBondContact CB-O 3.45Å; Y110-Y129 VanDerWaalsContact N-C 3.27Å; Y110-Y129 PolarHBondContact N-O 3.21Å; Y110-Y129 CarbonylContact O-C 3.52Å; Y110-Y129 WeakPolarHBondContact O-CA 3.3Å; Y110-Y129 WeakPolarHBondContact O-CB 3.45Å; Y110-Y129 PolarHBondContact O-N 3.34Å; Y110-Q130 HydrophobicContact CD2-CB 3.91Å; Y110-Q130 HydrophobicContact CE2-CB 4.46Å
111G50.5Low56.6Low53 Ų5369.9 Ų69.955%0.54640%0.4SS..EExtended strand (participates in β ladder)0133000000111.2
112T52.3Low58.5Low68 Ų6871.5 Ų71.542%0.41740%0.403SS..EExtended strand (participates in β ladder)trans-98.8108.3178.946.80000109.5E126 M127 E254T112-E126 HydrophobicContact CG2-CB 4.18Å; T112-M127 WeakPolarHBondContact CA-O 3.49Å; T112-E254 WeakPolarHBondContact CG2-OE1 1.51Å
113K64.5Low60.5Low163 Ų16369.6 Ų69.671%0.70939%0.391SS*.EExtended strand (participates in β ladder)trans-102.5135.7166.6-75.6-176.4-176.3-179.20110.6M115 M127K113-M115 PolarHBondContact O-N 2.91Å; K113-M127 PolarHBondContact N-O 2.68Å; K113-M127 VanDerWaalsContact N-O 3.1Å; K113-M127 VanDerWaalsContact O-CB 3.26Å; K113-M127 WeakPolarHBondContact O-CB 2.56Å; K113-M127 PolarHBondContact O-N 2.73Å
114T72.5Confident62.5Low109 Ų10971.5 Ų71.567%0.66941%0.405SS*.EExtended strand (participates in β ladder)trans-68.3121.317648.90000110.1T124 V125T114-T124 HydrophobicContact CG2-CG2 3.97Å; T114-V125 WeakPolarHBondContact CA-O 3.42Å
115M77.5Confident64.6Low32 Ų3271.4 Ų71.416%0.15840%0.404CS..EExtended strand (participates in β ladder)trans-131.2152.8177.9-70.3-178.171.300109.9K113 F117 V125 M127 K279K113-M115 PolarHBondContact O-N 2.91Å; M115-F117 PolarHBondContact O-N 2.5Å; M115-V125 PolarHBondContact N-O 2.92Å; M115-V125 WeakPolarHBondContact O-CG2 3.3Å; M115-V125 PolarHBondContact O-N 2.82Å; M115-M127 HydrophobicContact CB-CB 3.9Å; M115-M127 HydrophobicContact CB-CE 4.18Å; M115-M127 HydrophobicContact CB-CG 4.34Å; M115-M127 HydrophobicContact CG-CB 3.85Å; M115-M127 HydrophobicContact CG-CG 4.21Å; M115-M127 HydrophobicContact SD-CB 3.65Å; M115-M127 HydrophobicContact SD-CG 3.33Å; M115-M127 WeakPolarHBondContact SD-CG 3.34Å; M115-K279 HydrophobicContact CE-CD 3.7Å; M115-K279 HydrophobicContact CE-CG 4.13Å
116A78.1Confident66.6Low38 Ų3875.3 Ų75.331%0.31442%0.422SS..EExtended strand (participates in β ladder)trans-77.9128.3-179.900000110.3N122 V123 N281A116-N122 HydrophobicContact CB-CB 4.32Å; A116-V123 CarbonylContact C-O 3.43Å; A116-V123 WeakPolarHBondContact CA-O 3.05Å; A116-N281 WeakPolarHBondContact O-CB 3.23Å
117F82.4Confident69.1Low1 Ų173.6 Ų73.60%0.00441%0.408CS..EExtended strand (participates in β ladder)trans-99.10170.6-169.9-87.2000109.8M115 Q119 V123 V125 P200 N281 H282 P283 F284 A303 P305M115-F117 PolarHBondContact O-N 2.5Å; F117-Q119 HydrophobicContact CD1-CB 4.44Å; F117-Q119 HydrophobicContact CE1-CB 4.34Å; F117-V123 PolarHBondContact N-O 3.28Å; F117-V123 PolarHBondContact O-N 2.83Å; F117-V125 HydrophobicContact CB-CG1 4Å; F117-V125 HydrophobicContact CB-CG2 3.95Å; F117-P200 HydrophobicContact CE2-CG 4.39Å; F117-N281 CarbonylContact C-O 3Å; F117-N281 VanDerWaalsContact CA-O 3.26Å; F117-N281 WeakPolarHBondContact CA-O 3.16Å; F117-N281 VanDerWaalsContact CD2-C 3.48Å; F117-H282 WeakPolarHBondContact CZ-O 3.38Å; F117-P283 HydrophobicContact CE1-CG 4.23Å; F117-P283 HydrophobicContact CZ-CG 4.49Å; F117-F284 HydrophobicContact CE2-CE1 4.26Å; F117-A303 WeakPolarHBondContact CE1-O 2.96Å; F117-P305 HydrophobicContact CD1-CG 4.44Å; F117-P305 HydrophobicContact CD2-CG 3.72Å; F117-P305 HydrophobicContact CE2-CG 3.93Å; F117-P305 HydrophobicContact CG-CG 4.01Å; F117-P305 HydrophobicContact CZ-CG 4.36Å
118H80.1Confident71.5Confident84 Ų8471.6 Ų71.639%0.38940%0.397SS..EExtended strand (participates in β ladder)0109.20-60.1-81.6000110N122 N281 H282 P283H118-N122 PolarHBondContact CE1-OD1 3.45Å; H118-N122 PolarHBondContact ND1-OD1 3.08Å; H118-N281 PolarHBondContact N-O 3.25Å; H118-H282 HydrophobicContact CB-CB 4.39Å; H118-H282 WeakPolarHBondContact O-CB 3.3Å; H118-P283 WeakPolarHBondContact O-CD 3.29Å
119Q69.5Low73Confident63 Ų6371.6 Ų71.629%0.29440%0.398SS..SBendtrans-139.286.1170.5-170.8-179.425.800109.6G25 F117 K121 P283 A303G25-Q119 PolarHBondContact O-NE2 2.92Å; F117-Q119 HydrophobicContact CD1-CB 4.44Å; F117-Q119 HydrophobicContact CE1-CB 4.34Å; Q119-K121 PolarHBondContact N-O 3.27Å; Q119-K121 PolarHBondContact O-N 2.98Å; Q119-P283 HydrophobicContact CB-CG 4.31Å; Q119-P283 HydrophobicContact CG-CG 4.05Å; Q119-A303 VanDerWaalsContact CD-C 3.45Å; Q119-A303 PolarHBondContact NE2-O 3.3Å; Q119-A303 PolarHBondContact OE1-O 3.36Å
120G65.9Low74.6Confident100 Ų10071.5 Ų71.5100%1.03140%0.397SS*.SBendtrans62.90-179.900000112
121K66.8Low76.6Confident171 Ų17166.5 Ų66.574%0.74338%0.381SS*.SBend01410-69.2-176.6-177.3178.90109.2Q119 V123Q119-K121 PolarHBondContact N-O 3.27Å; Q119-K121 PolarHBondContact O-N 2.98Å; K121-V123 PolarHBondContact O-N 3.18Å
122N78.8Confident78.4Confident114 Ų11464.9 Ų64.961%0.6136%0.364SS*.EExtended strand (participates in β ladder)trans-78.20-179.1-70.2-16.8000110.9A116 H118A116-N122 HydrophobicContact CB-CB 4.32Å; H118-N122 PolarHBondContact CE1-OD1 3.45Å; H118-N122 PolarHBondContact ND1-OD1 3.08Å
123V83.2Confident80.2Confident63 Ų6366 Ų6638%0.38237%0.371SS..EExtended strand (participates in β ladder)0133.10-179.10000109.1A116 F117 K121 V125A116-V123 CarbonylContact C-O 3.43Å; A116-V123 WeakPolarHBondContact CA-O 3.05Å; F117-V123 PolarHBondContact N-O 3.28Å; F117-V123 PolarHBondContact O-N 2.83Å; K121-V123 PolarHBondContact O-N 3.18Å; V123-V125 HydrophobicContact CG1-CG1 4.09Å
124T84.8Confident81.5Confident104 Ų10458.6 Ų58.664%0.63834%0.338SS*.EExtended strand (participates in β ladder)trans-790178-56.30000110T114T114-T124 HydrophobicContact CG2-CG2 3.97Å
125V87.1Confident82.6Confident14 Ų1457.2 Ų57.29%0.08532%0.323CS..EExtended strand (participates in β ladder)0154.60-62.30000108.2T114 M115 F117 V123 M127 P200 P305T114-V125 WeakPolarHBondContact CA-O 3.42Å; M115-V125 PolarHBondContact N-O 2.92Å; M115-V125 WeakPolarHBondContact O-CG2 3.3Å; M115-V125 PolarHBondContact O-N 2.82Å; F117-V125 HydrophobicContact CB-CG1 4Å; F117-V125 HydrophobicContact CB-CG2 3.95Å; V123-V125 HydrophobicContact CG1-CG1 4.09Å; V125-M127 HydrophobicContact CG2-CE 3.97Å; V125-M127 PolarHBondContact O-N 3.42Å; V125-P200 HydrophobicContact CG2-CB 4.25Å; V125-P305 HydrophobicContact CB-CG 4.4Å; V125-P305 HydrophobicContact CG1-CB 4.16Å; V125-P305 HydrophobicContact CG1-CG 3.86Å
126E86.1Confident83.6Confident95 Ų9555.8 Ų55.844%0.44432%0.316SS..EExtended strand (participates in β ladder)trans-72.8115.3173-68.9-171.8156.500110.4T112 P200 R201T112-E126 HydrophobicContact CG2-CB 4.18Å; E126-P200 WeakPolarHBondContact O-CA 3.48Å; E126-R201 HydrophobicContact CB-CB 4.33Å; E126-R201 PolarHBondContact O-N 2.91Å; E126-R201 IonicContact OE2-CZ 2.98Å; E126-R201 IonicContact OE2-NH1 3.18Å
127M87.6Confident84.5Confident1 Ų154.1 Ų54.11%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-104.5118.5-175.8-171.86370.800110.2T112 K113 M115 V125 H198 L199 P200 N281T112-M127 WeakPolarHBondContact CA-O 3.49Å; K113-M127 PolarHBondContact N-O 2.68Å; K113-M127 VanDerWaalsContact N-O 3.1Å; K113-M127 VanDerWaalsContact O-CB 3.26Å; K113-M127 WeakPolarHBondContact O-CB 2.56Å; K113-M127 PolarHBondContact O-N 2.73Å; M115-M127 HydrophobicContact CB-CB 3.9Å; M115-M127 HydrophobicContact CB-CE 4.18Å; M115-M127 HydrophobicContact CB-CG 4.34Å; M115-M127 HydrophobicContact CG-CB 3.85Å; M115-M127 HydrophobicContact CG-CG 4.21Å; M115-M127 HydrophobicContact SD-CB 3.65Å; M115-M127 HydrophobicContact SD-CG 3.33Å; M115-M127 WeakPolarHBondContact SD-CG 3.34Å; V125-M127 HydrophobicContact CG2-CE 3.97Å; V125-M127 PolarHBondContact O-N 3.42Å; M127-H198 HydrophobicContact CG-CB 3.81Å; M127-H198 HydrophobicContact SD-CB 4.1Å; M127-L199 VanDerWaalsContact SD-CA 3.53Å; M127-L199 PolarHBondContact SD-N 3.2Å; M127-P200 HydrophobicContact CE-CB 4.21Å; M127-P200 VanDerWaalsContact SD-CA 3.56Å; M127-P200 HydrophobicContact SD-CB 4.09Å; M127-P200 HydrophobicContact SD-CG 4.49Å; M127-N281 HydrophobicContact CE-CB 4.03Å
128M89.1Confident85.1Confident1 Ų159.1 Ų59.11%0.00532%0.324CS..EExtended strand (participates in β ladder)trans-770173.9-55.3179.2-62.900111.1L109 H198 L199 R201 V252 E254L109-M128 HydrophobicContact CB-CB 3.18Å; L109-M128 HydrophobicContact CB-CG 4.23Å; L109-M128 HydrophobicContact CB-SD 4.23Å; L109-M128 HydrophobicContact CD1-CB 3.39Å; L109-M128 HydrophobicContact CD1-CE 3.1Å; L109-M128 HydrophobicContact CD1-CG 4.27Å; L109-M128 HydrophobicContact CD1-SD 3.92Å; L109-M128 HydrophobicContact CG-CB 3.86Å; L109-M128 HydrophobicContact CG-CE 4.39Å; M128-H198 CarbonylContact O-C 3.52Å; M128-H198 WeakPolarHBondContact O-CA 2.88Å; M128-L199 VanDerWaalsContact CA-O 3.29Å; M128-L199 WeakPolarHBondContact CA-O 3.2Å; M128-L199 WeakPolarHBondContact CB-O 2.64Å; M128-L199 HydrophobicContact CE-CB 4.14Å; M128-L199 HydrophobicContact CE-CD2 3.88Å; M128-L199 HydrophobicContact CE-CG 4.01Å; M128-L199 PolarHBondContact N-O 2.88Å; M128-L199 PolarHBondContact O-N 3.26Å; M128-R201 HydrophobicContact CG-CB 4.37Å; M128-V252 HydrophobicContact CE-CG1 3.91Å; M128-E254 HydrophobicContact CB-CG 4.44Å; M128-E254 HydrophobicContact CG-CG 3.77Å; M128-E254 WeakPolarHBondContact CG-OE1 3.46Å; M128-E254 VanDerWaalsContact SD-CD 3.52Å; M128-E254 HydrophobicContact SD-CG 3.48Å; M128-E254 WeakPolarHBondContact SD-CG 3.43Å
129Y84.1Confident85.8Confident62 Ų6256.1 Ų56.124%0.24331%0.312CS..EExtended strand (participates in β ladder)0141.50166.3-96.5000109.2L109 Y110 I131 E196 V197 H198L109-Y129 CarbonylContact C-O 3.45Å; L109-Y129 WeakPolarHBondContact CA-O 3.33Å; Y110-Y129 CarbonylContact C-O 3.56Å; Y110-Y129 WeakPolarHBondContact CA-O 3.43Å; Y110-Y129 VanDerWaalsContact CB-O 3.31Å; Y110-Y129 WeakPolarHBondContact CB-O 3.45Å; Y110-Y129 VanDerWaalsContact N-C 3.27Å; Y110-Y129 PolarHBondContact N-O 3.21Å; Y110-Y129 CarbonylContact O-C 3.52Å; Y110-Y129 WeakPolarHBondContact O-CA 3.3Å; Y110-Y129 WeakPolarHBondContact O-CB 3.45Å; Y110-Y129 PolarHBondContact O-N 3.34Å; Y129-I131 HydrophobicContact CE1-CD1 4.1Å; Y129-I131 HydrophobicContact CE1-CG1 3.89Å; Y129-I131 HydrophobicContact CE2-CG1 4.27Å; Y129-I131 VanDerWaalsContact CZ-CG1 3.44Å; Y129-I131 WeakPolarHBondContact OH-CD1 2.89Å; Y129-I131 WeakPolarHBondContact OH-CG1 3.39Å; Y129-E196 HydrophobicContact CD2-CG 3.56Å; Y129-E196 HydrophobicContact CE1-CG 4.48Å; Y129-E196 HydrophobicContact CE2-CB 3.98Å; Y129-E196 HydrophobicContact CE2-CG 2.51Å; Y129-E196 WeakPolarHBondContact CE2-OE1 3.08Å; Y129-E196 WeakPolarHBondContact OH-CG 3.3Å; Y129-E196 PolarHBondContact OH-OE1 2.72Å; Y129-V197 CarbonylContact C-O 3.6Å; Y129-V197 WeakPolarHBondContact CA-O 3.16Å; Y129-V197 WeakPolarHBondContact CD2-O 3.47Å; Y129-H198 AromaticContact CD2-CD2 3.43Å; Y129-H198 VanDerWaalsContact CD2-CD2 3.43Å; Y129-H198 WeakPolarHBondContact CD2-CD2 3.39Å; Y129-H198 AromaticContact CD2-CE1 3.15Å; Y129-H198 WeakPolarHBondContact CD2-CE1 3.26Å; Y129-H198 AromaticContact CD2-CG 3.89Å; Y129-H198 AromaticContact CD2-ND1 3.73Å; Y129-H198 AromaticContact CD2-NE2 2.92Å; Y129-H198 WeakPolarHBondContact CD2-NE2 2.85Å; Y129-H198 AromaticContact CE2-CE1 3.27Å; Y129-H198 WeakPolarHBondContact CE2-CE1 3.5Å; Y129-H198 AromaticContact CE2-NE2 3.37Å; Y129-H198 WeakPolarHBondContact CE2-NE2 3.21Å; Y129-H198 AromaticContact CG-NE2 3.94Å
130Q82.8Confident86.8Confident6 Ų662 Ų623%0.02834%0.337CS..EExtended strand (participates in β ladder)trans-158.9151176.267.4173.7-24.500109.3N107 R108 L109 Y110 F134 E196 V197N107-Q130 PolarHBondContact O-NE2 2.53Å; N107-Q130 VanDerWaalsContact O-NE2 3.14Å; N107-Q130 PolarHBondContact O-OE1 3.49Å; N107-Q130 VanDerWaalsContact O-OE1 3.06Å; R108-Q130 WeakPolarHBondContact O-CB 3.39Å; R108-Q130 PolarHBondContact O-OE1 3.2Å; L109-Q130 HydrophobicContact CB-CB 4.3Å; L109-Q130 HydrophobicContact CB-CG 4.31Å; L109-Q130 HydrophobicContact CD2-CB 3.61Å; L109-Q130 HydrophobicContact CD2-CG 2.86Å; L109-Q130 VanDerWaalsContact CD2-NE2 3.26Å; L109-Q130 HydrophobicContact CG-CB 4.36Å; L109-Q130 HydrophobicContact CG-CG 3.81Å; Y110-Q130 HydrophobicContact CD2-CB 3.91Å; Y110-Q130 HydrophobicContact CE2-CB 4.46Å; Q130-F134 VanDerWaalsContact CD-CZ 3.48Å; Q130-F134 HydrophobicContact CG-CE2 4.23Å; Q130-F134 HydrophobicContact CG-CZ 4.18Å; Q130-F134 VanDerWaalsContact NE2-CZ 3.33Å; Q130-E196 CarbonylContact O-C 3.59Å; Q130-E196 WeakPolarHBondContact O-CA 3.21Å; Q130-V197 HydrophobicContact CG-CB 3.95Å; Q130-V197 PolarHBondContact N-O 3.46Å; Q130-V197 PolarHBondContact O-N 2.58Å
131I85.8Confident88Confident55 Ų5565 Ų6528%0.28232%0.324SS..EExtended strand (participates in β ladder)trans-115.2130.5173.6-63.6173.2000108.8Y129 E194 V195 E196Y129-I131 HydrophobicContact CE1-CD1 4.1Å; Y129-I131 HydrophobicContact CE1-CG1 3.89Å; Y129-I131 HydrophobicContact CE2-CG1 4.27Å; Y129-I131 VanDerWaalsContact CZ-CG1 3.44Å; Y129-I131 WeakPolarHBondContact OH-CD1 2.89Å; Y129-I131 WeakPolarHBondContact OH-CG1 3.39Å; I131-E194 HydrophobicContact CG2-CG 4.03Å; I131-V195 VanDerWaalsContact CA-O 3.3Å; I131-V195 WeakPolarHBondContact CA-O 3.06Å; I131-E196 HydrophobicContact CG1-CB 4.17Å; I131-E196 HydrophobicContact CG1-CG 4.04Å
132G86.9Confident89.3Confident18 Ų1857.2 Ų57.219%0.18629%0.29CS..EExtended strand (participates in β ladder)trans-169.6176.4-179.300000110F134 E194 V195G132-F134 WeakPolarHBondContact O-CD2 3.47Å; G132-E194 CarbonylContact O-C 3.59Å; G132-E194 VanDerWaalsContact O-CA 3.3Å; G132-E194 WeakPolarHBondContact O-CA 3.19Å; G132-V195 PolarHBondContact N-O 3.44Å; G132-V195 PolarHBondContact O-N 3.18Å
133T90.4Very high90.1Very high92 Ų9255.9 Ų55.956%0.56428%0.28SS*.EExtended strand (participates in β ladder)trans-91.3117.2177.4-61.20000109.6E192 R193T133-E192 HydrophobicContact CG2-CB 3.96Å; T133-R193 CarbonylContact C-O 3.53Å; T133-R193 WeakPolarHBondContact CA-O 3.45Å
134F93.1Very high90.8Very high7 Ų752.9 Ų52.93%0.03126%0.263CS..EExtended strand (participates in β ladder)trans-133.7158.5-177.7-62.4-77.6000109.2N107 Q130 G132 L136 L147 L149 E192 R193 V195 V197N107-F134 HydrophobicContact CB-CE1 3.33Å; N107-F134 HydrophobicContact CB-CZ 3.58Å; N107-F134 WeakPolarHBondContact ND2-CD1 3.2Å; N107-F134 WeakPolarHBondContact ND2-CE1 3.15Å; Q130-F134 VanDerWaalsContact CD-CZ 3.48Å; Q130-F134 HydrophobicContact CG-CE2 4.23Å; Q130-F134 HydrophobicContact CG-CZ 4.18Å; Q130-F134 VanDerWaalsContact NE2-CZ 3.33Å; G132-F134 WeakPolarHBondContact O-CD2 3.47Å; F134-L136 PolarHBondContact O-N 3.07Å; F134-L147 HydrophobicContact CB-CD1 3.75Å; F134-L147 HydrophobicContact CG-CD1 4.42Å; F134-L149 HydrophobicContact CD1-CD2 3.69Å; F134-L149 HydrophobicContact CE1-CD2 3.62Å; F134-L149 HydrophobicContact CG-CD2 4.21Å; F134-L149 HydrophobicContact CZ-CD2 4.12Å; F134-E192 CarbonylContact O-C 3.55Å; F134-E192 WeakPolarHBondContact O-CA 3.34Å; F134-R193 PolarHBondContact N-O 2.52Å; F134-R193 PolarHBondContact O-N 2.85Å; F134-V195 HydrophobicContact CB-CG2 4.47Å; F134-V195 HydrophobicContact CD2-CB 4.16Å; F134-V197 HydrophobicContact CD2-CG2 3.84Å; F134-V197 HydrophobicContact CE2-CG2 3.86Å
135K95.5Very high91.4Very high81 Ų8149 Ų4935%0.35224%0.237SC..EExtended strand (participates in β ladder)trans-77.1126.4171.7-67.2-177.8-179.4177.90110.7E148 M190 M191 E192K135-E148 HydrophobicContact CB-CB 4.03Å; K135-E148 WeakPolarHBondContact CD-OE2 3.14Å; K135-E148 PolarHBondContact O-N 3.3Å; K135-M190 HydrophobicContact CB-CB 4.07Å; K135-M190 HydrophobicContact CB-CE 3.71Å; K135-M190 HydrophobicContact CD-CB 4.46Å; K135-M190 WeakPolarHBondContact O-CE 3.32Å; K135-M191 WeakPolarHBondContact CA-O 3.12Å; K135-E192 HydrophobicContact CG-CG 3.96Å
136L96.6Very high91.9Very high1 Ų148.4 Ų48.41%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-138.4133.9-174.8178.971.4000109F134 F138 Q145 V146 L147 M191 V195 A276 F278F134-L136 PolarHBondContact O-N 3.07Å; L136-F138 HydrophobicContact CD2-CE1 4.26Å; L136-F138 HydrophobicContact CD2-CE2 3.74Å; L136-F138 HydrophobicContact CD2-CZ 3.46Å; L136-F138 VanDerWaalsContact CD2-CZ 3.46Å; L136-F138 HydrophobicContact CG-CE2 4.24Å; L136-F138 HydrophobicContact CG-CZ 4.25Å; L136-Q145 HydrophobicContact CD1-CB 4.27Å; L136-V146 CarbonylContact C-O 3.21Å; L136-V146 VanDerWaalsContact CA-O 3.27Å; L136-V146 WeakPolarHBondContact CA-O 3.38Å; L136-V146 WeakPolarHBondContact CD1-O 3.5Å; L136-L147 HydrophobicContact CD1-CB 4.19Å; L136-L147 HydrophobicContact CD1-CD1 4.04Å; L136-M191 PolarHBondContact N-O 3.26Å; L136-M191 PolarHBondContact O-N 3.35Å; L136-M191 VanDerWaalsContact O-N 3.16Å; L136-V195 HydrophobicContact CB-CG2 4.26Å; L136-V195 HydrophobicContact CD2-CG2 4.07Å; L136-A276 HydrophobicContact CD2-CB 3.82Å; L136-F278 HydrophobicContact CD1-CD2 3.76Å; L136-F278 HydrophobicContact CD1-CE2 4.38Å
137A96.9Very high92.5Very high3 Ų343.9 Ų43.93%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-123.5146176.200000109.8Q145 V146 N189 M190A137-Q145 CarbonylContact O-C 3.47Å; A137-Q145 VanDerWaalsContact O-CA 3.32Å; A137-Q145 WeakPolarHBondContact O-CA 2.89Å; A137-V146 HydrophobicContact CB-CB 4.09Å; A137-V146 PolarHBondContact N-O 2.99Å; A137-V146 PolarHBondContact O-N 2.97Å; A137-N189 HydrophobicContact CB-CB 4.4Å; A137-N189 VanDerWaalsContact CB-O 3.28Å; A137-N189 WeakPolarHBondContact CB-O 3.31Å; A137-M190 HydrophobicContact CB-CG 4.28Å; A137-M190 HydrophobicContact CB-SD 3.48Å; A137-M190 WeakPolarHBondContact CB-SD 3.11Å
138F95.8Very high92.8Very high106 Ų10644.7 Ų44.747%0.46522%0.216SC..EExtended strand (participates in β ladder)trans-111.6120.7172.4-63.4-87.3000109.2L136 Q145 A276L136-F138 HydrophobicContact CD2-CE1 4.26Å; L136-F138 HydrophobicContact CD2-CE2 3.74Å; L136-F138 HydrophobicContact CD2-CZ 3.46Å; L136-F138 VanDerWaalsContact CD2-CZ 3.46Å; L136-F138 HydrophobicContact CG-CE2 4.24Å; L136-F138 HydrophobicContact CG-CZ 4.25Å; F138-Q145 HydrophobicContact CD1-CG 3.69Å; F138-Q145 HydrophobicContact CE1-CG 3.72Å; F138-A276 HydrophobicContact CZ-CB 4.48Å
139V94.9Very high93Very high22 Ų2244.6 Ų44.613%0.13322%0.216CC..EExtended strand (participates in β ladder)trans-106.4134-179179.30000108.4P142 Q143 M144 V146 W184V139-P142 CarbonylContact C-O 3.59Å; V139-P142 WeakPolarHBondContact CG1-O 3.44Å; V139-Q143 CarbonylContact O-C 3.46Å; V139-Q143 WeakPolarHBondContact O-CA 2.95Å; V139-M144 HydrophobicContact CB-CE 3.71Å; V139-M144 HydrophobicContact CB-CG 3.46Å; V139-M144 VanDerWaalsContact CB-CG 3.46Å; V139-M144 HydrophobicContact CB-SD 4.44Å; V139-M144 HydrophobicContact CG1-CE 3.87Å; V139-M144 HydrophobicContact CG1-CG 4.23Å; V139-M144 HydrophobicContact CG2-CE 3.38Å; V139-M144 HydrophobicContact CG2-CG 3.89Å; V139-M144 PolarHBondContact N-O 3.29Å; V139-M144 PolarHBondContact O-N 3.34Å; V139-V146 HydrophobicContact CG2-CG2 4.03Å; V139-W184 HydrophobicContact CG2-CB 4.48Å; V139-W184 HydrophobicContact CG2-CG 4.24Å
140K91.7Very high93.2Very high187 Ų18742.9 Ų42.981%0.81321%0.212SC*.THydrogen-bonded Turntrans-89.7-27.2-172.4-72-174.8-178.9179.50110.4P142 Q143K140-P142 CarbonylContact O-C 3.53Å; K140-Q143 PolarHBondContact O-N 3.44Å
141E90.9Very high93Very high162 Ų16243 Ų4376%0.75721%0.212SC*.THydrogen-bonded Turntrans-145.4101.4-177.9-71.2-175.6-176.700109.5Q175E141-Q175 PolarHBondContact O-OE1 2.87Å
142P93.4Very high92.1Very high7 Ų743.8 Ų43.85%0.04522%0.219CC..THydrogen-bonded Turncis-80.200.430.4-34.5000111.6V139 K140 M144 A167 Q171 I172 Q175V139-P142 CarbonylContact C-O 3.59Å; V139-P142 WeakPolarHBondContact CG1-O 3.44Å; K140-P142 CarbonylContact O-C 3.53Å; P142-M144 PolarHBondContact O-N 3.22Å; P142-A167 HydrophobicContact CB-CB 4.33Å; P142-Q171 HydrophobicContact CB-CB 4.24Å; P142-I172 HydrophobicContact CB-CG1 4.29Å; P142-I172 HydrophobicContact CG-CB 4.4Å; P142-I172 HydrophobicContact CG-CG1 3.67Å; P142-Q175 VanDerWaalsContact CD-CD 3.49Å
143Q95.4Very high91.3Very high86 Ų8648 Ų4840%0.40224%0.238SC..THydrogen-bonded Turn0111.60-164177.17.200111.1V139 K140 V164 A167V139-Q143 CarbonylContact O-C 3.46Å; V139-Q143 WeakPolarHBondContact O-CA 2.95Å; K140-Q143 PolarHBondContact O-N 3.44Å; Q143-V164 HydrophobicContact CB-CG2 4.34Å; Q143-V164 HydrophobicContact CG-CG2 3.55Å; Q143-V164 PolarHBondContact O-N 2.46Å; Q143-V164 VanDerWaalsContact O-O 3.14Å; Q143-A167 HydrophobicContact CB-CB 4.11Å; Q143-A167 WeakPolarHBondContact O-CB 3.44Å
144M97.3Very high90.5Very high1 Ų148.7 Ų48.71%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-154.6161-178.768.2178.6178.900108.9V139 P142 V146 L161 L162 I172 W184V139-M144 HydrophobicContact CB-CE 3.71Å; V139-M144 HydrophobicContact CB-CG 3.46Å; V139-M144 VanDerWaalsContact CB-CG 3.46Å; V139-M144 HydrophobicContact CB-SD 4.44Å; V139-M144 HydrophobicContact CG1-CE 3.87Å; V139-M144 HydrophobicContact CG1-CG 4.23Å; V139-M144 HydrophobicContact CG2-CE 3.38Å; V139-M144 HydrophobicContact CG2-CG 3.89Å; V139-M144 PolarHBondContact N-O 3.29Å; V139-M144 PolarHBondContact O-N 3.34Å; P142-M144 PolarHBondContact O-N 3.22Å; M144-V146 HydrophobicContact CE-CG2 3.8Å; M144-V146 HydrophobicContact CG-CG2 4.35Å; M144-V146 HydrophobicContact SD-CG2 4.3Å; M144-L161 HydrophobicContact CE-CD2 3.52Å; M144-L161 HydrophobicContact SD-CB 4.41Å; M144-L161 HydrophobicContact SD-CD2 3.59Å; M144-L161 VanDerWaalsContact SD-CD2 3.59Å; M144-L162 CarbonylContact C-O 3.36Å; M144-L162 VanDerWaalsContact CA-O 3.23Å; M144-L162 WeakPolarHBondContact CA-O 3.37Å; M144-L162 VanDerWaalsContact CB-O 3.27Å; M144-L162 WeakPolarHBondContact CB-O 3.37Å; M144-I172 HydrophobicContact CB-CD1 3.84Å; M144-I172 HydrophobicContact SD-CD1 3.86Å; M144-I172 HydrophobicContact SD-CG1 4.09Å; M144-I172 HydrophobicContact SD-CG2 4.22Å; M144-W184 HydrophobicContact CE-CB 3.87Å; M144-W184 HydrophobicContact CE-CD2 3Å; M144-W184 VanDerWaalsContact CE-CE2 3.45Å; M144-W184 HydrophobicContact CE-CE3 3.21Å; M144-W184 HydrophobicContact CE-CG 3.33Å; M144-W184 HydrophobicContact CE-CH2 4.16Å; M144-W184 HydrophobicContact CE-CZ2 4.04Å; M144-W184 HydrophobicContact CE-CZ3 3.78Å; M144-W184 HydrophobicContact SD-CE3 4.36Å; M144-W184 HydrophobicContact SD-CZ3 4.48Å
145Q97.9Very high90Very high23 Ų2352 Ų5211%0.10725%0.252CS..EExtended strand (participates in β ladder)trans-108.6137.7168.1-68178.4-44.200110.3L136 A137 F138 L162 V164 Q277 F278L136-Q145 HydrophobicContact CD1-CB 4.27Å; A137-Q145 CarbonylContact O-C 3.47Å; A137-Q145 VanDerWaalsContact O-CA 3.32Å; A137-Q145 WeakPolarHBondContact O-CA 2.89Å; F138-Q145 HydrophobicContact CD1-CG 3.69Å; F138-Q145 HydrophobicContact CE1-CG 3.72Å; Q145-L162 PolarHBondContact N-O 2.96Å; Q145-L162 PolarHBondContact O-N 3.19Å; Q145-V164 HydrophobicContact CG-CG1 3.96Å; Q145-V164 HydrophobicContact CG-CG2 4.42Å; Q145-Q277 PolarHBondContact NE2-O 3.42Å; Q145-Q277 PolarHBondContact OE1-O 2.78Å; Q145-F278 HydrophobicContact CB-CD2 3.89Å; Q145-F278 HydrophobicContact CB-CE2 3.81Å
146V98.2Very high89.5Confident0 Ų049 Ų490%024%0.24CC..EExtended strand (participates in β ladder)trans-115.7119.7175.2-174.90000109.1L136 A137 V139 M144 I159 I160 L161 W184 T185 M190L136-V146 CarbonylContact C-O 3.21Å; L136-V146 VanDerWaalsContact CA-O 3.27Å; L136-V146 WeakPolarHBondContact CA-O 3.38Å; L136-V146 WeakPolarHBondContact CD1-O 3.5Å; A137-V146 HydrophobicContact CB-CB 4.09Å; A137-V146 PolarHBondContact N-O 2.99Å; A137-V146 PolarHBondContact O-N 2.97Å; V139-V146 HydrophobicContact CG2-CG2 4.03Å; M144-V146 HydrophobicContact CE-CG2 3.8Å; M144-V146 HydrophobicContact CG-CG2 4.35Å; M144-V146 HydrophobicContact SD-CG2 4.3Å; V146-I159 HydrophobicContact CG1-CG2 3.65Å; V146-I160 CarbonylContact C-O 2.88Å; V146-I160 WeakPolarHBondContact CA-O 3.32Å; V146-L161 HydrophobicContact CG2-CD2 3.77Å; V146-W184 HydrophobicContact CG2-CB 4.43Å; V146-T185 HydrophobicContact CG1-CG2 4.27Å; V146-M190 HydrophobicContact CB-SD 4.05Å; V146-M190 HydrophobicContact CG1-CE 4.32Å; V146-M190 HydrophobicContact CG1-SD 3.87Å
147L97.6Very high89.3Confident0 Ų048.9 Ų48.90%024%0.24CC..EExtended strand (participates in β ladder)trans-113.8137.8-177.6177.372.7000109.5F134 L136 L149 I159 I160 V197 F278F134-L147 HydrophobicContact CB-CD1 3.75Å; F134-L147 HydrophobicContact CG-CD1 4.42Å; L136-L147 HydrophobicContact CD1-CB 4.19Å; L136-L147 HydrophobicContact CD1-CD1 4.04Å; L147-L149 HydrophobicContact CD2-CD1 4.12Å; L147-L149 HydrophobicContact CD2-CD2 3.81Å; L147-L149 HydrophobicContact CD2-CG 3.83Å; L147-L149 HydrophobicContact CG-CD2 4.19Å; L147-L149 HydrophobicContact CG-CG 4.14Å; L147-I159 CarbonylContact O-C 3.53Å; L147-I159 VanDerWaalsContact O-CA 3.27Å; L147-I159 WeakPolarHBondContact O-CA 3.22Å; L147-I160 PolarHBondContact N-O 2.79Å; L147-I160 PolarHBondContact O-N 3.23Å; L147-V197 HydrophobicContact CD1-CG2 4.44Å; L147-V197 HydrophobicContact CD2-CB 4.49Å; L147-V197 HydrophobicContact CD2-CG1 3.73Å; L147-V197 HydrophobicContact CD2-CG2 3.91Å; L147-F278 HydrophobicContact CB-CD1 4.3Å; L147-F278 HydrophobicContact CB-CD2 3.57Å; L147-F278 HydrophobicContact CB-CE1 4.06Å; L147-F278 HydrophobicContact CB-CE2 3.28Å; L147-F278 HydrophobicContact CB-CG 4.06Å; L147-F278 HydrophobicContact CB-CZ 3.56Å; L147-F278 HydrophobicContact CD2-CB 4.34Å; L147-F278 HydrophobicContact CD2-CD1 3.52Å; L147-F278 HydrophobicContact CD2-CD2 4.17Å; L147-F278 HydrophobicContact CD2-CE1 3.73Å; L147-F278 HydrophobicContact CD2-CE2 4.34Å; L147-F278 HydrophobicContact CD2-CG 3.75Å; L147-F278 HydrophobicContact CD2-CZ 4.14Å; L147-F278 HydrophobicContact CG-CD2 4.32Å; L147-F278 HydrophobicContact CG-CE2 4.39Å; L147-F278 HydrophobicContact CG-CG 4.37Å
148E95.6Very high89.1Confident18 Ų1848.8 Ų48.88%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-113.2118.7175-178.8176.1167.100109.6K135 S157 M158 I159 M190 R289K135-E148 HydrophobicContact CB-CB 4.03Å; K135-E148 WeakPolarHBondContact CD-OE2 3.14Å; K135-E148 PolarHBondContact O-N 3.3Å; E148-S157 PolarHBondContact OE1-OG 2.96Å; E148-M158 CarbonylContact C-O 3.54Å; E148-M158 WeakPolarHBondContact CA-O 3.14Å; E148-I159 HydrophobicContact CG-CG1 4.5Å; E148-M190 HydrophobicContact CB-CE 3.33Å; E148-R289 IonicContact OE1-NH2 3.63Å; E148-R289 IonicContact OE2-NH2 3.15Å; E148-R289 PolarHBondContact OE2-NH2 3.06Å
149L91.5Very high89.1Confident0 Ų043.7 Ų43.70%022%0.216CC..EExtended strand (participates in β ladder)trans-108.5114.2177.3-65.3171.6000109.7I105 F134 L147 S157 M158 I160 L199I105-L149 HydrophobicContact CG2-CB 4.2Å; F134-L149 HydrophobicContact CD1-CD2 3.69Å; F134-L149 HydrophobicContact CE1-CD2 3.62Å; F134-L149 HydrophobicContact CG-CD2 4.21Å; F134-L149 HydrophobicContact CZ-CD2 4.12Å; L147-L149 HydrophobicContact CD2-CD1 4.12Å; L147-L149 HydrophobicContact CD2-CD2 3.81Å; L147-L149 HydrophobicContact CD2-CG 3.83Å; L147-L149 HydrophobicContact CG-CD2 4.19Å; L147-L149 HydrophobicContact CG-CG 4.14Å; L149-S157 CarbonylContact O-C 3.34Å; L149-S157 WeakPolarHBondContact O-CA 3.1Å; L149-M158 HydrophobicContact CB-CB 4.31Å; L149-M158 PolarHBondContact N-O 3.14Å; L149-M158 PolarHBondContact O-N 3.43Å; L149-I160 HydrophobicContact CD1-CD1 4.01Å; L149-L199 HydrophobicContact CD1-CD2 4.01Å
150P88.7Confident89.3Confident25 Ų2542.7 Ų42.716%0.16221%0.21CC..EExtended strand (participates in β ladder)trans-74.90-17826.8-32.5000111.7A106 N107 N154A106-P150 WeakPolarHBondContact CA-O 3.21Å; A106-P150 WeakPolarHBondContact CB-O 3.06Å; A106-P150 PolarHBondContact N-O 2.57Å; N107-P150 WeakPolarHBondContact ND2-CD 3.25Å; N107-P150 WeakPolarHBondContact ND2-CG 3.46Å; P150-N154 WeakPolarHBondContact CB-OD1 3.48Å
151Y78.4Confident89.6Confident8 Ų833.8 Ų33.83%0.03117%0.171CC..BIsolated β-bridge01750-80.1-96.3000109.4L103 S104 I105 A106 N153 N154 L156 M158 I288L103-Y151 VanDerWaalsContact C-CE1 3.45Å; L103-Y151 HydrophobicContact CB-CD1 4.25Å; L103-Y151 HydrophobicContact CB-CE1 3.72Å; L103-Y151 HydrophobicContact CD2-CD1 4.48Å; L103-Y151 HydrophobicContact CD2-CE1 4.31Å; S104-Y151 WeakPolarHBondContact O-CD1 3.16Å; I105-Y151 HydrophobicContact CB-CD1 4.47Å; I105-Y151 HydrophobicContact CB-CE1 4.36Å; I105-Y151 HydrophobicContact CG1-CD1 4.07Å; I105-Y151 HydrophobicContact CG1-CE1 3.51Å; I105-Y151 HydrophobicContact CG1-CE2 4.27Å; A106-Y151 WeakPolarHBondContact CB-O 3.33Å; A106-Y151 VanDerWaalsContact N-CA 3.28Å; Y151-N153 PolarHBondContact O-N 2.67Å; Y151-N154 PolarHBondContact O-N 2.85Å; Y151-L156 HydrophobicContact CD2-CB 3.84Å; Y151-L156 HydrophobicContact CG-CB 4.15Å; Y151-L156 PolarHBondContact N-O 3.07Å; Y151-M158 HydrophobicContact CE2-CB 3.94Å; Y151-M158 WeakPolarHBondContact OH-CE 3.49Å; Y151-I288 HydrophobicContact CE2-CG1 4.44Å; Y151-I288 HydrophobicContact CE2-CG2 4.08Å
152V66.9Low90Very high72 Ų7226.1 Ų26.144%0.43614%0.135SC..G310 helixtrans-58.30-176.9176.20000108.9S104 A106 N154S104-V152 PolarHBondContact O-N 3.12Å; A106-V152 HydrophobicContact CB-CB 4.25Å; A106-V152 HydrophobicContact CB-CG2 4.08Å; V152-N154 PolarHBondContact O-N 2.55Å
153N70.2Confident90.1Very high107 Ų10726 Ų2657%0.57213%0.134SC*.G310 helix000-65.6-24.7000111.1Y151 K155Y151-N153 PolarHBondContact O-N 2.67Å; N153-K155 HydrophobicContact CB-CG 4.29Å; N153-K155 WeakPolarHBondContact O-CG 3.5Å; N153-K155 PolarHBondContact O-N 2.62Å
154N74.4Confident90.1Very high106 Ų10623.6 Ų23.657%0.56713%0.126SC*.G310 helix025.30-74.3-21.5000111.6P150 Y151 V152 T291P150-N154 WeakPolarHBondContact CB-OD1 3.48Å; Y151-N154 PolarHBondContact O-N 2.85Å; V152-N154 PolarHBondContact O-N 2.55Å; N154-T291 PolarHBondContact O-OG1 3.46Å
155K81.9Confident89.7Confident77 Ų7726.6 Ų26.634%0.33516%0.157SC..SBendtrans-91.3-27.1177.4-72.7-172.9-179.9178.80110.2N153 H290 T291N153-K155 HydrophobicContact CB-CG 4.29Å; N153-K155 WeakPolarHBondContact O-CG 3.5Å; N153-K155 PolarHBondContact O-N 2.62Å; K155-H290 WeakPolarHBondContact O-CA 3.37Å; K155-H290 PolarHBondContact O-CD2 2.86Å; K155-T291 PolarHBondContact O-N 3.27Å; K155-T291 PolarHBondContact O-OG1 2.82Å; K155-T291 VanDerWaalsContact O-OG1 3.08Å
156L86.3Confident89.1Confident17 Ų1733.3 Ų33.39%0.08919%0.192CC..EExtended strand (participates in β ladder)trans-122.8152.8175.7-59.3175.9000109.6L103 Y151 R289 H290 L297L103-L156 HydrophobicContact CD2-CD1 3.58Å; Y151-L156 HydrophobicContact CD2-CB 3.84Å; Y151-L156 HydrophobicContact CG-CB 4.15Å; Y151-L156 PolarHBondContact N-O 3.07Å; L156-R289 CarbonylContact C-O 3.59Å; L156-R289 VanDerWaalsContact CA-O 3.24Å; L156-R289 WeakPolarHBondContact CA-O 3.35Å; L156-H290 HydrophobicContact CD2-CB 4.1Å; L156-L297 HydrophobicContact CD1-CD2 4.38Å; L156-L297 HydrophobicContact CD2-CD1 4.26Å; L156-L297 HydrophobicContact CD2-CD2 3.83Å
157S90.8Very high88.8Confident0 Ų034 Ų340%020%0.198CC..EExtended strand (participates in β ladder)trans-143.8150.7174.2620000110E148 L149 I288 R289 T291E148-S157 PolarHBondContact OE1-OG 2.96Å; L149-S157 CarbonylContact O-C 3.34Å; L149-S157 WeakPolarHBondContact O-CA 3.1Å; S157-I288 CarbonylContact O-C 3.57Å; S157-I288 VanDerWaalsContact O-CA 3.28Å; S157-I288 WeakPolarHBondContact O-CA 3.42Å; S157-R289 PolarHBondContact N-O 3.26Å; S157-R289 PolarHBondContact O-N 3.25Å; S157-R289 WeakPolarHBondContact OG-CG 3.48Å; S157-T291 WeakPolarHBondContact OG-CG2 3.39Å
158M93.6Very high88.5Confident0 Ų037.8 Ų37.80%022%0.218CC..EExtended strand (participates in β ladder)trans-100.2126.6172.7179178.5-75.100108.8I105 E148 L149 Y151 I160 V252 F286 F287 I288I105-M158 HydrophobicContact CD1-CE 4.26Å; I105-M158 HydrophobicContact CD1-SD 4.32Å; E148-M158 CarbonylContact C-O 3.54Å; E148-M158 WeakPolarHBondContact CA-O 3.14Å; L149-M158 HydrophobicContact CB-CB 4.31Å; L149-M158 PolarHBondContact N-O 3.14Å; L149-M158 PolarHBondContact O-N 3.43Å; Y151-M158 HydrophobicContact CE2-CB 3.94Å; Y151-M158 WeakPolarHBondContact OH-CE 3.49Å; M158-I160 HydrophobicContact CG-CG1 4.04Å; M158-I160 HydrophobicContact SD-CD1 4.21Å; M158-I160 HydrophobicContact SD-CG1 4.28Å; M158-V252 HydrophobicContact CE-CG2 4.01Å; M158-F286 HydrophobicContact CG-CB 4.45Å; M158-F287 CarbonylContact C-O 3.58Å; M158-F287 VanDerWaalsContact CA-O 3.22Å; M158-F287 WeakPolarHBondContact CA-O 3.4Å; M158-I288 HydrophobicContact CE-CD1 4.22Å; M158-I288 HydrophobicContact CE-CG1 4.22Å
159I96.8Very high88.4Confident0 Ų037.9 Ų37.90%022%0.219CC..EExtended strand (participates in β ladder)trans-106.1133.9175.1-60.6-179.9000109.5V146 L147 E148 F181 T185 F286 F287 R289V146-I159 HydrophobicContact CG1-CG2 3.65Å; L147-I159 CarbonylContact O-C 3.53Å; L147-I159 VanDerWaalsContact O-CA 3.27Å; L147-I159 WeakPolarHBondContact O-CA 3.22Å; E148-I159 HydrophobicContact CG-CG1 4.5Å; I159-F181 HydrophobicContact CD1-CZ 4.38Å; I159-T185 HydrophobicContact CD1-CG2 3.96Å; I159-T185 HydrophobicContact CG2-CG2 3.97Å; I159-F286 CarbonylContact O-C 3.53Å; I159-F286 WeakPolarHBondContact O-CA 3.16Å; I159-F286 WeakPolarHBondContact O-CB 3.22Å; I159-F287 HydrophobicContact CB-CB 4.39Å; I159-F287 PolarHBondContact N-O 2.8Å; I159-F287 PolarHBondContact O-N 3.21Å; I159-R289 HydrophobicContact CD1-CG 4.09Å
160I98.1Very high88.5Confident0 Ų044.8 Ų44.80%025%0.249CC..EExtended strand (participates in β ladder)trans-123.8122.5-178.3-60.8175.4000107.8V146 L147 L149 M158 L199 F278 F284 L285 F286V146-I160 CarbonylContact C-O 2.88Å; V146-I160 WeakPolarHBondContact CA-O 3.32Å; L147-I160 PolarHBondContact N-O 2.79Å; L147-I160 PolarHBondContact O-N 3.23Å; L149-I160 HydrophobicContact CD1-CD1 4.01Å; M158-I160 HydrophobicContact CG-CG1 4.04Å; M158-I160 HydrophobicContact SD-CD1 4.21Å; M158-I160 HydrophobicContact SD-CG1 4.28Å; I160-L199 HydrophobicContact CD1-CD1 3.64Å; I160-L199 HydrophobicContact CD1-CD2 4.25Å; I160-F278 HydrophobicContact CB-CE1 4.3Å; I160-F278 HydrophobicContact CB-CZ 3.77Å; I160-F278 HydrophobicContact CD1-CE1 4.29Å; I160-F278 HydrophobicContact CG2-CE1 3.97Å; I160-F278 HydrophobicContact CG2-CZ 3.52Å; I160-F284 HydrophobicContact CG2-CB 4.07Å; I160-F284 HydrophobicContact CG2-CD2 3.58Å; I160-F284 HydrophobicContact CG2-CE2 4.22Å; I160-F284 HydrophobicContact CG2-CG 3.95Å; I160-L285 CarbonylContact C-O 3.53Å; I160-L285 WeakPolarHBondContact CA-O 3.27Å; I160-F286 HydrophobicContact CG1-CB 4.28Å
161L98.3Very high88.7Confident0 Ų047.5 Ų47.50%026%0.259CS..EExtended strand (participates in β ladder)trans-97.7112.5171.9-62.8134.6000110.5M144 V146 F181 W184 F284 L285 F287M144-L161 HydrophobicContact CE-CD2 3.52Å; M144-L161 HydrophobicContact SD-CB 4.41Å; M144-L161 HydrophobicContact SD-CD2 3.59Å; M144-L161 VanDerWaalsContact SD-CD2 3.59Å; V146-L161 HydrophobicContact CG2-CD2 3.77Å; L161-F181 HydrophobicContact CD1-CE2 4.47Å; L161-W184 HydrophobicContact CD2-CD2 4.49Å; L161-W184 HydrophobicContact CD2-CE3 3.61Å; L161-W184 HydrophobicContact CD2-CZ3 4.19Å; L161-F284 WeakPolarHBondContact O-CB 3.2Å; L161-L285 HydrophobicContact CB-CB 4.19Å; L161-L285 HydrophobicContact CD1-CB 3.98Å; L161-L285 HydrophobicContact CD1-CD1 4.43Å; L161-L285 PolarHBondContact N-O 3.39Å; L161-L285 PolarHBondContact O-N 2.88Å; L161-L285 VanDerWaalsContact O-N 3.13Å; L161-F287 HydrophobicContact CD1-CD2 3.74Å; L161-F287 HydrophobicContact CD1-CE2 3.05Å; L161-F287 HydrophobicContact CD1-CZ 4.07Å; L161-F287 HydrophobicContact CG-CE2 4.47Å
162L98.3Very high89.5Confident1 Ų147.1 Ų47.11%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-120.2116.5-172.1178.268.3000108.7M144 Q145 F278 K279 A280 H282 F284M144-L162 CarbonylContact C-O 3.36Å; M144-L162 VanDerWaalsContact CA-O 3.23Å; M144-L162 WeakPolarHBondContact CA-O 3.37Å; M144-L162 VanDerWaalsContact CB-O 3.27Å; M144-L162 WeakPolarHBondContact CB-O 3.37Å; Q145-L162 PolarHBondContact N-O 2.96Å; Q145-L162 PolarHBondContact O-N 3.19Å; L162-F278 HydrophobicContact CB-CE2 3.96Å; L162-F278 HydrophobicContact CB-CZ 3.71Å; L162-F278 HydrophobicContact CD2-CD1 4.44Å; L162-F278 HydrophobicContact CD2-CE1 4.09Å; L162-F278 HydrophobicContact CD2-CE2 4.17Å; L162-F278 HydrophobicContact CD2-CZ 3.95Å; L162-F278 HydrophobicContact CG-CZ 4.47Å; L162-K279 WeakPolarHBondContact CD2-O 3.45Å; L162-A280 HydrophobicContact CD1-CB 4.43Å; L162-A280 HydrophobicContact CD2-CB 4.47Å; L162-H282 VanDerWaalsContact CD1-NE2 3.28Å; L162-H282 WeakPolarHBondContact CD1-NE2 3.28Å; L162-F284 HydrophobicContact CD1-CB 3.74Å; L162-F284 HydrophobicContact CD1-CD1 4.41Å; L162-F284 HydrophobicContact CD1-CG 4.48Å
163P97.3Very high90.9Very high4 Ų444.9 Ų44.93%0.02624%0.243CC..EExtended strand (participates in β ladder)trans-66.3141.9176.423.3-30000111.8L169 I172 H282 P283P163-L169 HydrophobicContact CG-CB 4.35Å; P163-L169 HydrophobicContact CG-CD1 4.35Å; P163-I172 HydrophobicContact CB-CD1 3.7Å; P163-I172 HydrophobicContact CG-CD1 4.13Å; P163-H282 PolarHBondContact O-CE1 3.45Å; P163-H282 PolarHBondContact O-NE2 3.14Å; P163-P283 WeakPolarHBondContact CD-O 3.42Å
164V94.3Very high92Very high37 Ų3748.7 Ų48.722%0.22425%0.254CS..  trans-135.40177.1-66.40000107.9Q143 Q145 I166 A167Q143-V164 HydrophobicContact CB-CG2 4.34Å; Q143-V164 HydrophobicContact CG-CG2 3.55Å; Q143-V164 PolarHBondContact O-N 2.46Å; Q143-V164 VanDerWaalsContact O-O 3.14Å; Q145-V164 HydrophobicContact CG-CG1 3.96Å; Q145-V164 HydrophobicContact CG-CG2 4.42Å; V164-I166 PolarHBondContact O-N 3.24Å; V164-A167 PolarHBondContact O-N 3.3Å; V164-A167 VanDerWaalsContact O-N 3.13Å
165G90Very high93Very high64 Ų6447.3 Ų47.366%0.6624%0.244SC*.THydrogen-bonded Turn0-125.1000000111.5A167G165-A167 VanDerWaalsContact C-N 3.31Å
166I84.6Confident93.7Very high164 Ų16443.7 Ų43.784%0.84123%0.229SC*.THydrogen-bonded Turntrans-98.90-172.255.1167.5000109.5V164V164-I166 PolarHBondContact O-N 3.24Å
167A90.9Very high94.1Very high15 Ų1546.2 Ų46.212%0.12424%0.242CC..  0156.6000000110.7P142 Q143 V164 G165 Q171P142-A167 HydrophobicContact CB-CB 4.33Å; Q143-A167 HydrophobicContact CB-CB 4.11Å; Q143-A167 WeakPolarHBondContact O-CB 3.44Å; V164-A167 PolarHBondContact O-N 3.3Å; V164-A167 VanDerWaalsContact O-N 3.13Å; G165-A167 VanDerWaalsContact C-N 3.31Å; A167-Q171 VanDerWaalsContact CB-OE1 3.25Å
168N91.4Very high94.2Very high78 Ų7847.6 Ų47.642%0.41725%0.252SS..  trans-124171.6172.45939.9000110.5K170 Q171 I172N168-K170 PolarHBondContact O-N 3.18Å; N168-K170 WeakPolarHBondContact OD1-CA 2.8Å; N168-K170 VanDerWaalsContact OD1-CB 3.32Å; N168-K170 WeakPolarHBondContact OD1-CB 3.33Å; N168-K170 PolarHBondContact OD1-N 2.67Å; N168-Q171 PolarHBondContact O-N 2.77Å; N168-Q171 VanDerWaalsContact O-N 3.17Å; N168-Q171 VanDerWaalsContact OD1-CG 3.28Å; N168-Q171 WeakPolarHBondContact OD1-CG 3.14Å; N168-Q171 PolarHBondContact OD1-N 3.45Å; N168-I172 PolarHBondContact O-N 3.24Å
169L94Very high94.2Very high20 Ų2049.8 Ų49.811%0.10528%0.275CS..Hα-helixtrans-64.1-29.4-173.5-171.163000110.8P163 Q171 I172 E173 P283 L285 K301P163-L169 HydrophobicContact CG-CB 4.35Å; P163-L169 HydrophobicContact CG-CD1 4.35Å; L169-Q171 PolarHBondContact O-N 3.26Å; L169-I172 WeakPolarHBondContact O-CB 3.18Å; L169-I172 PolarHBondContact O-N 2.88Å; L169-I172 VanDerWaalsContact O-N 3.1Å; L169-E173 HydrophobicContact CG-CG 4.34Å; L169-E173 WeakPolarHBondContact O-CG 3.24Å; L169-E173 PolarHBondContact O-N 2.93Å; L169-P283 HydrophobicContact CD2-CB 3.68Å; L169-L285 HydrophobicContact CD1-CD1 4.47Å; L169-L285 HydrophobicContact CD1-CD2 4.19Å; L169-L285 HydrophobicContact CD1-CG 3.71Å; L169-L285 HydrophobicContact CD2-CD2 4.45Å; L169-K301 HydrophobicContact CD2-CD 3.88Å; L169-K301 HydrophobicContact CD2-CG 3.91Å
170K92.9Very high94.2Very high145 Ų14551 Ų5163%0.6328%0.282SS*.Hα-helixtrans-64.1-37.1-178.8-74.8-175.7-177.3179.10111.1N168 I172 E173 K174N168-K170 PolarHBondContact O-N 3.18Å; N168-K170 WeakPolarHBondContact OD1-CA 2.8Å; N168-K170 VanDerWaalsContact OD1-CB 3.32Å; N168-K170 WeakPolarHBondContact OD1-CB 3.33Å; N168-K170 PolarHBondContact OD1-N 2.67Å; K170-I172 PolarHBondContact O-N 2.85Å; K170-E173 WeakPolarHBondContact O-CB 3.32Å; K170-E173 PolarHBondContact O-N 2.78Å; K170-E173 VanDerWaalsContact O-N 3.14Å; K170-K174 PolarHBondContact O-N 2.79Å
171Q93.4Very high94.1Very high82 Ų8251.1 Ų51.138%0.38328%0.282SS..Hα-helixtrans-64.4-39.7178.8-70.5174.5-5000111P142 A167 N168 L169 E173 K174 Q175P142-Q171 HydrophobicContact CB-CB 4.24Å; A167-Q171 VanDerWaalsContact CB-OE1 3.25Å; N168-Q171 PolarHBondContact O-N 2.77Å; N168-Q171 VanDerWaalsContact O-N 3.17Å; N168-Q171 VanDerWaalsContact OD1-CG 3.28Å; N168-Q171 WeakPolarHBondContact OD1-CG 3.14Å; N168-Q171 PolarHBondContact OD1-N 3.45Å; L169-Q171 PolarHBondContact O-N 3.26Å; Q171-E173 PolarHBondContact O-N 2.9Å; Q171-K174 PolarHBondContact O-N 3.31Å; Q171-Q175 PolarHBondContact O-N 2.78Å
172I95.9Very high93.8Very high0 Ų055.5 Ų55.50%030%0.303CS..Hα-helixtrans-65.5-38.9177.7-65.1177.5000109.8P142 M144 P163 N168 L169 K170 K174 Q175 L176 W184 L285P142-I172 HydrophobicContact CB-CG1 4.29Å; P142-I172 HydrophobicContact CG-CB 4.4Å; P142-I172 HydrophobicContact CG-CG1 3.67Å; M144-I172 HydrophobicContact CB-CD1 3.84Å; M144-I172 HydrophobicContact SD-CD1 3.86Å; M144-I172 HydrophobicContact SD-CG1 4.09Å; M144-I172 HydrophobicContact SD-CG2 4.22Å; P163-I172 HydrophobicContact CB-CD1 3.7Å; P163-I172 HydrophobicContact CG-CD1 4.13Å; N168-I172 PolarHBondContact O-N 3.24Å; L169-I172 WeakPolarHBondContact O-CB 3.18Å; L169-I172 PolarHBondContact O-N 2.88Å; L169-I172 VanDerWaalsContact O-N 3.1Å; K170-I172 PolarHBondContact O-N 2.85Å; I172-K174 PolarHBondContact O-N 3.39Å; I172-Q175 PolarHBondContact O-N 3.41Å; I172-L176 VanDerWaalsContact O-CB 3.23Å; I172-L176 WeakPolarHBondContact O-CB 3.5Å; I172-L176 PolarHBondContact O-N 3.14Å; I172-W184 HydrophobicContact CG2-CZ3 4.23Å; I172-L285 HydrophobicContact CG2-CD1 4.03Å
173E95.3Very high93.7Very high26 Ų2660.8 Ų60.812%0.12133%0.328CS..Hα-helixtrans-65.2-33.7-178.3-68.5169.6174.300110.5F16 N20 L169 K170 Q171 Q175 L176 L285 K301F16-E173 HydrophobicContact CE1-CG 4.21Å; F16-E173 HydrophobicContact CZ-CG 4.37Å; N20-E173 PolarHBondContact ND2-OE2 3.17Å; L169-E173 HydrophobicContact CG-CG 4.34Å; L169-E173 WeakPolarHBondContact O-CG 3.24Å; L169-E173 PolarHBondContact O-N 2.93Å; K170-E173 WeakPolarHBondContact O-CB 3.32Å; K170-E173 PolarHBondContact O-N 2.78Å; K170-E173 VanDerWaalsContact O-N 3.14Å; Q171-E173 PolarHBondContact O-N 2.9Å; E173-Q175 VanDerWaalsContact C-N 3.29Å; E173-Q175 PolarHBondContact O-N 3.47Å; E173-L176 PolarHBondContact O-N 3.11Å; E173-L285 HydrophobicContact CG-CD1 4.3Å; E173-K301 WeakPolarHBondContact OE1-CD 3.35Å
174K94Very high93.6Very high186 Ų18661 Ų6181%0.80933%0.328SS*.Hα-helixtrans-73.3-33-177.3-172.8177.7175.6-179.70110.6K170 Q171 I172K170-K174 PolarHBondContact O-N 2.79Å; Q171-K174 PolarHBondContact O-N 3.31Å; I172-K174 PolarHBondContact O-N 3.39Å
175Q95Very high93.6Very high77 Ų7759.6 Ų59.636%0.3632%0.319SS..Hα-helixtrans-94.3-6.4-175-68.8-177.432.300110.6E141 P142 Q171 I172 E173 N177 T180 W184E141-Q175 PolarHBondContact O-OE1 2.87Å; P142-Q175 VanDerWaalsContact CD-CD 3.49Å; Q171-Q175 PolarHBondContact O-N 2.78Å; I172-Q175 PolarHBondContact O-N 3.41Å; E173-Q175 VanDerWaalsContact C-N 3.29Å; E173-Q175 PolarHBondContact O-N 3.47Å; Q175-N177 PolarHBondContact O-N 2.81Å; Q175-N177 VanDerWaalsContact O-N 3.17Å; Q175-N177 PolarHBondContact O-ND2 3.06Å; Q175-T180 WeakPolarHBondContact O-CG2 3.34Å; Q175-T180 PolarHBondContact O-OG1 2.91Å; Q175-W184 HydrophobicContact CB-CH2 4.08Å; Q175-W184 HydrophobicContact CB-CZ2 4.3Å
176L96.1Very high93.8Very high2 Ų257.5 Ų57.51%0.0129%0.294CS..  trans-74.2116.9-173.8-177.863.9000109.4L13 F16 K17 I172 E173 F181 W184 L285 F287L13-L176 HydrophobicContact CD1-CG 4.49Å; L13-L176 HydrophobicContact CD2-CD1 4.47Å; L13-L176 HydrophobicContact CD2-CD2 3.76Å; L13-L176 HydrophobicContact CD2-CG 3.87Å; F16-L176 HydrophobicContact CD1-CD2 4.3Å; F16-L176 HydrophobicContact CE1-CD2 4.22Å; K17-L176 VanDerWaalsContact CE-O 3.25Å; K17-L176 WeakPolarHBondContact CE-O 3.04Å; I172-L176 VanDerWaalsContact O-CB 3.23Å; I172-L176 WeakPolarHBondContact O-CB 3.5Å; I172-L176 PolarHBondContact O-N 3.14Å; E173-L176 PolarHBondContact O-N 3.11Å; L176-F181 HydrophobicContact CD1-CB 4.26Å; L176-F181 HydrophobicContact CD1-CD2 4.06Å; L176-W184 HydrophobicContact CB-CZ3 4.49Å; L176-W184 HydrophobicContact CD1-CE3 4.15Å; L176-W184 HydrophobicContact CD1-CZ3 3.56Å; L176-L285 HydrophobicContact CD2-CD1 3.79Å; L176-F287 HydrophobicContact CD2-CZ 4.03Å
177N95.1Very high94Very high69 Ų6954.5 Ų54.537%0.36929%0.288SS..SBendtrans-149.5173.1172.558.663.5000109.4L13 Q175 G179 T180 F181L13-N177 VanDerWaalsContact CD1-CA 3.46Å; Q175-N177 PolarHBondContact O-N 2.81Å; Q175-N177 VanDerWaalsContact O-N 3.17Å; Q175-N177 PolarHBondContact O-ND2 3.06Å; N177-G179 PolarHBondContact O-N 3.38Å; N177-G179 WeakPolarHBondContact OD1-CA 3.48Å; N177-G179 PolarHBondContact OD1-N 3.08Å; N177-T180 PolarHBondContact N-OG1 2.71Å; N177-T180 PolarHBondContact O-N 2.98Å; N177-T180 PolarHBondContact O-OG1 3.41Å; N177-T180 PolarHBondContact OD1-N 2.89Å; N177-T180 PolarHBondContact OD1-OG1 3.41Å; N177-F181 WeakPolarHBondContact O-CB 3.24Å; N177-F181 PolarHBondContact O-N 2.98Å
178S93.3Very high93.9Very high30 Ų3058 Ų5821%0.2131%0.312CS..Hα-helixtrans-56.9-39.2-172.7178.90000111F181 H182S178-F181 PolarHBondContact O-N 3.23Å; S178-H182 WeakPolarHBondContact O-CB 3.06Å; S178-H182 PolarHBondContact O-N 3.31Å
179G94.3Very high93.9Very high46 Ų4657.4 Ų57.447%0.47431%0.309SS..Hα-helixtrans-63.7-51.8179.900000112.1N177 F181 H182 E183N177-G179 PolarHBondContact O-N 3.38Å; N177-G179 WeakPolarHBondContact OD1-CA 3.48Å; N177-G179 PolarHBondContact OD1-N 3.08Å; G179-F181 VanDerWaalsContact C-N 3.27Å; G179-H182 PolarHBondContact O-N 3.25Å; G179-E183 WeakPolarHBondContact O-CB 3.23Å; G179-E183 PolarHBondContact O-N 3.41Å
180T95.5Very high93.9Very high25 Ų2556.8 Ų56.815%0.15331%0.305CS..Hα-helixtrans-67.1-37-178.250.80000111.2Q175 N177 H182 E183 W184Q175-T180 WeakPolarHBondContact O-CG2 3.34Å; Q175-T180 PolarHBondContact O-OG1 2.91Å; N177-T180 PolarHBondContact N-OG1 2.71Å; N177-T180 PolarHBondContact O-N 2.98Å; N177-T180 PolarHBondContact O-OG1 3.41Å; N177-T180 PolarHBondContact OD1-N 2.89Å; N177-T180 PolarHBondContact OD1-OG1 3.41Å; T180-H182 PolarHBondContact O-N 2.64Å; T180-E183 PolarHBondContact O-N 3.17Å; T180-W184 HydrophobicContact CG2-CZ2 4.12Å; T180-W184 WeakPolarHBondContact O-CB 3.39Å; T180-W184 PolarHBondContact O-N 3.44Å
181F95.9Very high94Very high2 Ų254.7 Ų54.71%0.00930%0.299CS..Hα-helixtrans-60.9-43.6179.2-177-103.1000109.9V9 L13 I159 L161 L176 N177 S178 G179 E183 W184 T185 F287 I296V9-F181 HydrophobicContact CG1-CD1 4.09Å; L13-F181 HydrophobicContact CD1-CB 4.45Å; I159-F181 HydrophobicContact CD1-CZ 4.38Å; L161-F181 HydrophobicContact CD1-CE2 4.47Å; L176-F181 HydrophobicContact CD1-CB 4.26Å; L176-F181 HydrophobicContact CD1-CD2 4.06Å; N177-F181 WeakPolarHBondContact O-CB 3.24Å; N177-F181 PolarHBondContact O-N 2.98Å; S178-F181 PolarHBondContact O-N 3.23Å; G179-F181 VanDerWaalsContact C-N 3.27Å; F181-E183 VanDerWaalsContact C-N 3.28Å; F181-E183 PolarHBondContact O-N 3.34Å; F181-W184 PolarHBondContact O-N 3.21Å; F181-T185 HydrophobicContact CD2-CG2 4.44Å; F181-T185 HydrophobicContact CE2-CG2 4.2Å; F181-T185 HydrophobicContact CZ-CG2 4.27Å; F181-T185 WeakPolarHBondContact O-CB 3.44Å; F181-T185 WeakPolarHBondContact O-CG2 3.28Å; F181-T185 PolarHBondContact O-N 3.26Å; F181-T185 PolarHBondContact O-OG1 2.7Å; F181-F287 HydrophobicContact CD2-CE2 4.27Å; F181-F287 HydrophobicContact CD2-CZ 4.39Å; F181-F287 HydrophobicContact CE2-CB 4.47Å; F181-F287 HydrophobicContact CE2-CD1 4.13Å; F181-F287 AromaticContact CE2-CD2 3.53Å; F181-F287 HydrophobicContact CE2-CD2 3.53Å; F181-F287 HydrophobicContact CE2-CE1 4.22Å; F181-F287 AromaticContact CE2-CE2 3.63Å; F181-F287 HydrophobicContact CE2-CE2 3.63Å; F181-F287 AromaticContact CE2-CG 3.79Å; F181-F287 HydrophobicContact CE2-CG 3.79Å; F181-F287 AromaticContact CE2-CZ 3.99Å; F181-F287 HydrophobicContact CE2-CZ 3.99Å; F181-F287 HydrophobicContact CZ-CB 4.23Å; F181-F287 HydrophobicContact CZ-CD1 4.29Å; F181-F287 HydrophobicContact CZ-CD2 4.14Å; F181-F287 AromaticContact CZ-CG 3.98Å; F181-F287 HydrophobicContact CZ-CG 3.98Å; F181-I296 HydrophobicContact CE1-CD1 3.98Å; F181-I296 HydrophobicContact CE1-CG1 4.46Å; F181-I296 HydrophobicContact CZ-CD1 4.07Å
182H93.5Very high94Very high93 Ų9357.5 Ų57.543%0.43131%0.312SS..Hα-helixtrans-64-45.7179.1177.872.8000110.8S178 G179 T180 W184 T185 S186S178-H182 WeakPolarHBondContact O-CB 3.06Å; S178-H182 PolarHBondContact O-N 3.31Å; G179-H182 PolarHBondContact O-N 3.25Å; T180-H182 PolarHBondContact O-N 2.64Å; H182-W184 VanDerWaalsContact C-N 3.27Å; H182-W184 PolarHBondContact O-N 3.28Å; H182-T185 CarbonylContact O-C 3.45Å; H182-T185 PolarHBondContact O-N 2.91Å; H182-S186 WeakPolarHBondContact O-CB 3.27Å; H182-S186 PolarHBondContact O-N 3.15Å
183E94.8Very high93.8Very high112 Ų11263.3 Ų63.352%0.52333%0.334SS..Hα-helixtrans-59.3-46.8179.7-178.2-176.1174.800111.6G179 T180 F181 T185 S186 N189G179-E183 WeakPolarHBondContact O-CB 3.23Å; G179-E183 PolarHBondContact O-N 3.41Å; T180-E183 PolarHBondContact O-N 3.17Å; F181-E183 VanDerWaalsContact C-N 3.28Å; F181-E183 PolarHBondContact O-N 3.34Å; E183-T185 PolarHBondContact O-N 2.62Å; E183-S186 PolarHBondContact O-N 3.25Å; E183-S186 PolarHBondContact O-OG 3.24Å; E183-S186 VanDerWaalsContact O-OG 3.05Å; E183-N189 VanDerWaalsContact C-ND2 3.32Å; E183-N189 PolarHBondContact O-ND2 3.25Å
184W95.9Very high93.7Very high8 Ų866.3 Ų66.33%0.0335%0.348CS..Hα-helixtrans-68-23.7-175.2-64.8-21.2000110.9V139 M144 V146 L161 I172 Q175 L176 T180 F181 H182V139-W184 HydrophobicContact CG2-CB 4.48Å; V139-W184 HydrophobicContact CG2-CG 4.24Å; M144-W184 HydrophobicContact CE-CB 3.87Å; M144-W184 HydrophobicContact CE-CD2 3Å; M144-W184 VanDerWaalsContact CE-CE2 3.45Å; M144-W184 HydrophobicContact CE-CE3 3.21Å; M144-W184 HydrophobicContact CE-CG 3.33Å; M144-W184 HydrophobicContact CE-CH2 4.16Å; M144-W184 HydrophobicContact CE-CZ2 4.04Å; M144-W184 HydrophobicContact CE-CZ3 3.78Å; M144-W184 HydrophobicContact SD-CE3 4.36Å; M144-W184 HydrophobicContact SD-CZ3 4.48Å; V146-W184 HydrophobicContact CG2-CB 4.43Å; L161-W184 HydrophobicContact CD2-CD2 4.49Å; L161-W184 HydrophobicContact CD2-CE3 3.61Å; L161-W184 HydrophobicContact CD2-CZ3 4.19Å; I172-W184 HydrophobicContact CG2-CZ3 4.23Å; Q175-W184 HydrophobicContact CB-CH2 4.08Å; Q175-W184 HydrophobicContact CB-CZ2 4.3Å; L176-W184 HydrophobicContact CB-CZ3 4.49Å; L176-W184 HydrophobicContact CD1-CE3 4.15Å; L176-W184 HydrophobicContact CD1-CZ3 3.56Å; T180-W184 HydrophobicContact CG2-CZ2 4.12Å; T180-W184 WeakPolarHBondContact O-CB 3.39Å; T180-W184 PolarHBondContact O-N 3.44Å; F181-W184 PolarHBondContact O-N 3.21Å; H182-W184 VanDerWaalsContact C-N 3.27Å; H182-W184 PolarHBondContact O-N 3.28Å
185T94.7Very high93.6Very high7 Ų757.4 Ų57.44%0.04331%0.309CS..THydrogen-bonded Turntrans-113.617.1-172.858.90000109.4V146 I159 F181 H182 E183 R289V146-T185 HydrophobicContact CG1-CG2 4.27Å; I159-T185 HydrophobicContact CD1-CG2 3.96Å; I159-T185 HydrophobicContact CG2-CG2 3.97Å; F181-T185 HydrophobicContact CD2-CG2 4.44Å; F181-T185 HydrophobicContact CE2-CG2 4.2Å; F181-T185 HydrophobicContact CZ-CG2 4.27Å; F181-T185 WeakPolarHBondContact O-CB 3.44Å; F181-T185 WeakPolarHBondContact O-CG2 3.28Å; F181-T185 PolarHBondContact O-N 3.26Å; F181-T185 PolarHBondContact O-OG1 2.7Å; H182-T185 CarbonylContact O-C 3.45Å; H182-T185 PolarHBondContact O-N 2.91Å; E183-T185 PolarHBondContact O-N 2.62Å; T185-R289 PolarHBondContact OG1-NH1 3.03Å
186S92.4Very high93.5Very high20 Ų2055.7 Ų55.714%0.1430%0.301CS..SBendtrans-77.3155.1-17868.10000110.1H182 E183 S188 N189 M190H182-S186 WeakPolarHBondContact O-CB 3.27Å; H182-S186 PolarHBondContact O-N 3.15Å; E183-S186 PolarHBondContact O-N 3.25Å; E183-S186 PolarHBondContact O-OG 3.24Å; E183-S186 VanDerWaalsContact O-OG 3.05Å; S186-S188 PolarHBondContact O-N 3.1Å; S186-S188 VanDerWaalsContact O-N 3.1Å; S186-S188 PolarHBondContact OG-OG 3.2Å; S186-N189 PolarHBondContact O-N 2.82Å; S186-N189 PolarHBondContact OG-N 3.04Å; S186-N189 PolarHBondContact OG-ND2 2.9Å; S186-M190 WeakPolarHBondContact O-CG 3.44Å; S186-M190 PolarHBondContact O-N 3.22Å
187S88.8Confident93.4Very high101 Ų10155.6 Ų55.671%0.70630%0.301SS*.THydrogen-bonded Turntrans-61.5-28-17857.90000111N189 M190S187-N189 PolarHBondContact O-N 3.46Å; S187-M190 VanDerWaalsContact O-O 3.14Å
188S90.1Very high93.3Very high90 Ų9053.5 Ų53.563%0.62929%0.289SS*.THydrogen-bonded Turntrans-70.6-26.2179.255.80000111.5S186S186-S188 PolarHBondContact O-N 3.1Å; S186-S188 VanDerWaalsContact O-N 3.1Å; S186-S188 PolarHBondContact OG-OG 3.2Å
189N91.6Very high93.2Very high64 Ų6452 Ų5234%0.34228%0.279SS..THydrogen-bonded Turntrans-94.5-23.7-179.3-79-26.3000111.4A137 E183 S186 S187A137-N189 HydrophobicContact CB-CB 4.4Å; A137-N189 VanDerWaalsContact CB-O 3.28Å; A137-N189 WeakPolarHBondContact CB-O 3.31Å; E183-N189 VanDerWaalsContact C-ND2 3.32Å; E183-N189 PolarHBondContact O-ND2 3.25Å; S186-N189 PolarHBondContact O-N 2.82Å; S186-N189 PolarHBondContact OG-N 3.04Å; S186-N189 PolarHBondContact OG-ND2 2.9Å; S187-N189 PolarHBondContact O-N 3.46Å
190M94Very high93.1Very high8 Ų849.9 Ų49.94%0.03926%0.256CS..  trans-98.1110.4-174.1-64.6-80.1-73.300109.1K135 A137 V146 E148 S186 S187K135-M190 HydrophobicContact CB-CB 4.07Å; K135-M190 HydrophobicContact CB-CE 3.71Å; K135-M190 HydrophobicContact CD-CB 4.46Å; K135-M190 WeakPolarHBondContact O-CE 3.32Å; A137-M190 HydrophobicContact CB-CG 4.28Å; A137-M190 HydrophobicContact CB-SD 3.48Å; A137-M190 WeakPolarHBondContact CB-SD 3.11Å; V146-M190 HydrophobicContact CB-SD 4.05Å; V146-M190 HydrophobicContact CG1-CE 4.32Å; V146-M190 HydrophobicContact CG1-SD 3.87Å; E148-M190 HydrophobicContact CB-CE 3.33Å; S186-M190 WeakPolarHBondContact O-CG 3.44Å; S186-M190 PolarHBondContact O-N 3.22Å; S187-M190 VanDerWaalsContact O-O 3.14Å
191M93.8Very high92.7Very high100 Ų10052.9 Ų52.949%0.49327%0.265SS..EExtended strand (participates in β ladder)trans-109.8142.8-178.4-57.6-67.7-72.200110.1K135 L136 R193K135-M191 WeakPolarHBondContact CA-O 3.12Å; L136-M191 PolarHBondContact N-O 3.26Å; L136-M191 PolarHBondContact O-N 3.35Å; L136-M191 VanDerWaalsContact O-N 3.16Å; M191-R193 PolarHBondContact O-N 3.24Å
192E93.8Very high92.3Very high142 Ų14253 Ų5366%0.66427%0.265SS*.EExtended strand (participates in β ladder)trans-74.1127.7178.1-74.6-170.6168.400110.3T133 F134 K135T133-E192 HydrophobicContact CG2-CB 3.96Å; F134-E192 CarbonylContact O-C 3.55Å; F134-E192 WeakPolarHBondContact O-CA 3.34Å; K135-E192 HydrophobicContact CG-CG 3.96Å
193R91.8Very high92Very high122 Ų12254.6 Ų54.646%0.4627%0.271SS..EExtended strand (participates in β ladder)trans-147.4156.5176.8-58.6175-175.9-144.21.4109.9T133 F134 M191 V195T133-R193 CarbonylContact C-O 3.53Å; T133-R193 WeakPolarHBondContact CA-O 3.45Å; F134-R193 PolarHBondContact N-O 2.52Å; F134-R193 PolarHBondContact O-N 2.85Å; M191-R193 PolarHBondContact O-N 3.24Å; R193-V195 HydrophobicContact CB-CG2 4.26Å; R193-V195 VanDerWaalsContact O-CG2 3.27Å; R193-V195 WeakPolarHBondContact O-CG2 3.04Å; R193-V195 PolarHBondContact O-N 3.06Å
194E92.9Very high91.6Very high88 Ų8849.6 Ų49.641%0.41125%0.248SC..EExtended strand (participates in β ladder)trans-71.3121.3171.8-164.6175.6-143.400110.7I131 G132 R275 A276I131-E194 HydrophobicContact CG2-CG 4.03Å; G132-E194 CarbonylContact O-C 3.59Å; G132-E194 VanDerWaalsContact O-CA 3.3Å; G132-E194 WeakPolarHBondContact O-CA 3.19Å; E194-R275 IonicContact OE2-NE 3.61Å; E194-A276 PolarHBondContact O-N 2.61Å
195V92.6Very high91.2Very high0 Ų056.8 Ų56.80%028%0.282CS..EExtended strand (participates in β ladder)trans-130.1135.2-174.2-174.70000109.2I131 G132 F134 L136 R193 V197 A276 F278I131-V195 VanDerWaalsContact CA-O 3.3Å; I131-V195 WeakPolarHBondContact CA-O 3.06Å; G132-V195 PolarHBondContact N-O 3.44Å; G132-V195 PolarHBondContact O-N 3.18Å; F134-V195 HydrophobicContact CB-CG2 4.47Å; F134-V195 HydrophobicContact CD2-CB 4.16Å; L136-V195 HydrophobicContact CB-CG2 4.26Å; L136-V195 HydrophobicContact CD2-CG2 4.07Å; R193-V195 HydrophobicContact CB-CG2 4.26Å; R193-V195 VanDerWaalsContact O-CG2 3.27Å; R193-V195 WeakPolarHBondContact O-CG2 3.04Å; R193-V195 PolarHBondContact O-N 3.06Å; V195-V197 HydrophobicContact CB-CG2 4.2Å; V195-V197 HydrophobicContact CG1-CG2 3.84Å; V195-A276 WeakPolarHBondContact CA-O 2.45Å; V195-A276 HydrophobicContact CG2-CB 4.39Å; V195-F278 HydrophobicContact CG1-CB 3.78Å
196E93.1Very high90.9Very high41 Ų4157.4 Ų57.419%0.19229%0.285CS..EExtended strand (participates in β ladder)trans-86.5114.3165.2-175.9177.5178.400111.1Y129 Q130 I131 H198 A276 Q277 F278Y129-E196 HydrophobicContact CD2-CG 3.56Å; Y129-E196 HydrophobicContact CE1-CG 4.48Å; Y129-E196 HydrophobicContact CE2-CB 3.98Å; Y129-E196 HydrophobicContact CE2-CG 2.51Å; Y129-E196 WeakPolarHBondContact CE2-OE1 3.08Å; Y129-E196 WeakPolarHBondContact OH-CG 3.3Å; Y129-E196 PolarHBondContact OH-OE1 2.72Å; Q130-E196 CarbonylContact O-C 3.59Å; Q130-E196 WeakPolarHBondContact O-CA 3.21Å; I131-E196 HydrophobicContact CG1-CB 4.17Å; I131-E196 HydrophobicContact CG1-CG 4.04Å; E196-H198 VanDerWaalsContact CG-CE1 3.46Å; E196-H198 WeakPolarHBondContact CG-CE1 3.46Å; E196-H198 IonicContact OE1-CE1 3.24Å; E196-H198 PolarHBondContact OE1-CE1 3.19Å; E196-H198 IonicContact OE1-NE2 2.46Å; E196-A276 PolarHBondContact N-O 2.59Å; E196-Q277 HydrophobicContact CB-CG 4.48Å; E196-F278 PolarHBondContact O-N 2.85Å
197V93.2Very high90.8Very high0 Ų062.7 Ų62.70%031%0.306CS..EExtended strand (participates in β ladder)trans-107.6132.3-172.7178.80000109.7L109 Y129 Q130 F134 L147 V195 L199 F278L109-V197 HydrophobicContact CD2-CB 3.81Å; L109-V197 HydrophobicContact CD2-CG1 3.67Å; Y129-V197 CarbonylContact C-O 3.6Å; Y129-V197 WeakPolarHBondContact CA-O 3.16Å; Y129-V197 WeakPolarHBondContact CD2-O 3.47Å; Q130-V197 HydrophobicContact CG-CB 3.95Å; Q130-V197 PolarHBondContact N-O 3.46Å; Q130-V197 PolarHBondContact O-N 2.58Å; F134-V197 HydrophobicContact CD2-CG2 3.84Å; F134-V197 HydrophobicContact CE2-CG2 3.86Å; L147-V197 HydrophobicContact CD1-CG2 4.44Å; L147-V197 HydrophobicContact CD2-CB 4.49Å; L147-V197 HydrophobicContact CD2-CG1 3.73Å; L147-V197 HydrophobicContact CD2-CG2 3.91Å; V195-V197 HydrophobicContact CB-CG2 4.2Å; V195-V197 HydrophobicContact CG1-CG2 3.84Å; V197-L199 HydrophobicContact CG1-CB 4.47Å; V197-F278 CarbonylContact C-O 3.58Å; V197-F278 WeakPolarHBondContact CA-O 3.47Å; V197-F278 HydrophobicContact CG1-CD1 4.33Å
198H93Very high90.8Very high24 Ų2459.2 Ų59.211%0.11128%0.277CS..EExtended strand (participates in β ladder)trans-119.8121.1171.1-64.378.5000109M127 M128 Y129 E196 F278 K279 A280M127-H198 HydrophobicContact CG-CB 3.81Å; M127-H198 HydrophobicContact SD-CB 4.1Å; M128-H198 CarbonylContact O-C 3.52Å; M128-H198 WeakPolarHBondContact O-CA 2.88Å; Y129-H198 AromaticContact CD2-CD2 3.43Å; Y129-H198 VanDerWaalsContact CD2-CD2 3.43Å; Y129-H198 WeakPolarHBondContact CD2-CD2 3.39Å; Y129-H198 AromaticContact CD2-CE1 3.15Å; Y129-H198 WeakPolarHBondContact CD2-CE1 3.26Å; Y129-H198 AromaticContact CD2-CG 3.89Å; Y129-H198 AromaticContact CD2-ND1 3.73Å; Y129-H198 AromaticContact CD2-NE2 2.92Å; Y129-H198 WeakPolarHBondContact CD2-NE2 2.85Å; Y129-H198 AromaticContact CE2-CE1 3.27Å; Y129-H198 WeakPolarHBondContact CE2-CE1 3.5Å; Y129-H198 AromaticContact CE2-NE2 3.37Å; Y129-H198 WeakPolarHBondContact CE2-NE2 3.21Å; Y129-H198 AromaticContact CG-NE2 3.94Å; E196-H198 VanDerWaalsContact CG-CE1 3.46Å; E196-H198 WeakPolarHBondContact CG-CE1 3.46Å; E196-H198 IonicContact OE1-CE1 3.24Å; E196-H198 PolarHBondContact OE1-CE1 3.19Å; E196-H198 IonicContact OE1-NE2 2.46Å; H198-F278 PolarHBondContact N-O 3.34Å; H198-K279 HydrophobicContact CB-CB 4.41Å; H198-K279 HydrophobicContact CB-CG 3.97Å; H198-A280 WeakPolarHBondContact O-CB 3.41Å; H198-A280 PolarHBondContact O-N 3.17Å
199L92.4Very high90.9Very high0 Ų060.6 Ų60.60%027%0.274CS..EExtended strand (participates in β ladder)trans-138.7132.7-176.6-177.367.5000109.4L109 M127 M128 L149 I160 V197 V252 A280 F284L109-L199 HydrophobicContact CD1-CB 3.35Å; L109-L199 HydrophobicContact CD1-CD2 3.67Å; L109-L199 HydrophobicContact CD1-CG 4.06Å; M127-L199 VanDerWaalsContact SD-CA 3.53Å; M127-L199 PolarHBondContact SD-N 3.2Å; M128-L199 VanDerWaalsContact CA-O 3.29Å; M128-L199 WeakPolarHBondContact CA-O 3.2Å; M128-L199 WeakPolarHBondContact CB-O 2.64Å; M128-L199 HydrophobicContact CE-CB 4.14Å; M128-L199 HydrophobicContact CE-CD2 3.88Å; M128-L199 HydrophobicContact CE-CG 4.01Å; M128-L199 PolarHBondContact N-O 2.88Å; M128-L199 PolarHBondContact O-N 3.26Å; L149-L199 HydrophobicContact CD1-CD2 4.01Å; I160-L199 HydrophobicContact CD1-CD1 3.64Å; I160-L199 HydrophobicContact CD1-CD2 4.25Å; V197-L199 HydrophobicContact CG1-CB 4.47Å; L199-V252 HydrophobicContact CD2-CG1 4.38Å; L199-A280 HydrophobicContact CD1-CB 3.89Å; L199-F284 HydrophobicContact CD1-CE2 4.49Å; L199-F284 HydrophobicContact CD1-CZ 3.99Å
200P91.9Very high90.9Very high0 Ų058 Ų580%026%0.26CS..EExtended strand (participates in β ladder)trans-72.5143.6-178.726.1-33.5000111.8F117 V125 E126 M127 F202 A280 F284 L302 P305F117-P200 HydrophobicContact CE2-CG 4.39Å; V125-P200 HydrophobicContact CG2-CB 4.25Å; E126-P200 WeakPolarHBondContact O-CA 3.48Å; M127-P200 HydrophobicContact CE-CB 4.21Å; M127-P200 VanDerWaalsContact SD-CA 3.56Å; M127-P200 HydrophobicContact SD-CB 4.09Å; M127-P200 HydrophobicContact SD-CG 4.49Å; P200-F202 HydrophobicContact CG-CD1 4.22Å; P200-F202 WeakPolarHBondContact O-CD1 3.34Å; P200-F202 WeakPolarHBondContact O-CE1 3.21Å; P200-A280 WeakPolarHBondContact CD-O 3.29Å; P200-F284 HydrophobicContact CG-CE1 4Å; P200-F284 HydrophobicContact CG-CZ 4.2Å; P200-L302 HydrophobicContact CG-CD2 3.75Å; P200-P305 HydrophobicContact CB-CB 4.02Å; P200-P305 HydrophobicContact CB-CG 3.83Å; P200-P305 HydrophobicContact CG-CG 4.12Å
201R86.8Confident90.8Very high88 Ų8858.3 Ų58.333%0.33226%0.262SS..  trans-72.1133.1166-173.4179-79.4-175.10.3110.5E126 M128 V252 E254E126-R201 HydrophobicContact CB-CB 4.33Å; E126-R201 PolarHBondContact O-N 2.91Å; E126-R201 IonicContact OE2-CZ 2.98Å; E126-R201 IonicContact OE2-NH1 3.18Å; M128-R201 HydrophobicContact CG-CB 4.37Å; R201-V252 VanDerWaalsContact CG-O 3.32Å; R201-V252 WeakPolarHBondContact CG-O 3.21Å; R201-E254 IonicContact CZ-OE1 3.16Å; R201-E254 IonicContact CZ-OE2 2.66Å; R201-E254 IonicContact NE-OE1 3.96Å; R201-E254 PolarHBondContact NE-OE1 3.21Å; R201-E254 IonicContact NE-OE2 3.5Å; R201-E254 PolarHBondContact NE-OE2 2.91Å; R201-E254 IonicContact NH1-OE2 3.9Å; R201-E254 IonicContact NH2-OE1 2.48Å; R201-E254 PolarHBondContact NH2-OE1 3.01Å; R201-E254 IonicContact NH2-OE2 1.86Å; R201-E254 PolarHBondContact NH2-OE2 2.77Å
202F87.9Confident90.8Very high4 Ų457.9 Ų57.92%0.01827%0.268CS..EExtended strand (participates in β ladder)trans-157.1156.7178.556.8-87.9000109.4P200 L204 L250 V252 F284 F286 L302 P305P200-F202 HydrophobicContact CG-CD1 4.22Å; P200-F202 WeakPolarHBondContact O-CD1 3.34Å; P200-F202 WeakPolarHBondContact O-CE1 3.21Å; F202-L204 HydrophobicContact CD2-CD1 4.06Å; F202-L204 HydrophobicContact CD2-CG 3.89Å; F202-L204 HydrophobicContact CE2-CD1 3.97Å; F202-L204 HydrophobicContact CE2-CG 4.29Å; F202-L250 HydrophobicContact CE2-CD2 3.9Å; F202-V252 HydrophobicContact CD1-CB 4.21Å; F202-V252 HydrophobicContact CD2-CB 4.48Å; F202-V252 HydrophobicContact CD2-CG2 4.3Å; F202-V252 HydrophobicContact CE1-CB 3.88Å; F202-V252 HydrophobicContact CE1-CG1 4.06Å; F202-V252 HydrophobicContact CE1-CG2 3.99Å; F202-V252 HydrophobicContact CE2-CB 4.18Å; F202-V252 HydrophobicContact CE2-CG2 3.6Å; F202-V252 HydrophobicContact CG-CB 4.49Å; F202-V252 HydrophobicContact CZ-CB 3.87Å; F202-V252 HydrophobicContact CZ-CG1 4.33Å; F202-V252 HydrophobicContact CZ-CG2 3.43Å; F202-V252 VanDerWaalsContact CZ-CG2 3.43Å; F202-V252 PolarHBondContact N-O 3.06Å; F202-V252 PolarHBondContact O-N 2.74Å; F202-F284 HydrophobicContact CE1-CZ 4.29Å; F202-F286 HydrophobicContact CE2-CE1 4.41Å; F202-F286 HydrophobicContact CE2-CZ 4.34Å; F202-L302 HydrophobicContact CB-CD1 4.15Å; F202-L302 HydrophobicContact CD1-CD2 3.72Å; F202-L302 HydrophobicContact CD2-CD1 3.83Å; F202-L302 HydrophobicContact CD2-CD2 4.44Å; F202-L302 HydrophobicContact CE1-CD2 3.97Å; F202-L302 HydrophobicContact CE2-CD1 4.35Å; F202-L302 HydrophobicContact CG-CD1 3.93Å; F202-L302 HydrophobicContact CG-CD2 3.99Å; F202-L302 HydrophobicContact CZ-CD2 4.42Å; F202-P305 HydrophobicContact CB-CB 3.79Å; F202-P305 WeakPolarHBondContact CB-OXT 3.38Å
203K87.3Confident90.9Very high128 Ų12851.4 Ų51.456%0.55724%0.239SC*.EExtended strand (participates in β ladder)trans-125.8131.8175.9-67.3-177.5-177178.80109.7L250 D251K203-L250 CarbonylContact C-O 3.6Å; K203-L250 WeakPolarHBondContact CA-O 3.38Å; K203-D251 WeakPolarHBondContact CE-OD2 3.44Å; K203-D251 HydrophobicContact CG-CB 4.25Å; K203-D251 WeakPolarHBondContact CG-OD1 3.28Å
204L86.1Confident91.1Very high6 Ų645.8 Ų45.83%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-123.8128.4176.7-64.2173.7000110.3N27 F29 F202 Y249 L250 F286 L302N27-L204 HydrophobicContact CB-CD2 3.81Å; F29-L204 HydrophobicContact CB-CB 4.18Å; F29-L204 HydrophobicContact CB-CD1 3.94Å; F29-L204 HydrophobicContact CD1-CB 4.12Å; F29-L204 HydrophobicContact CD2-CD1 4.4Å; F29-L204 HydrophobicContact CG-CB 4.23Å; F29-L204 HydrophobicContact CG-CD1 4.18Å; F202-L204 HydrophobicContact CD2-CD1 4.06Å; F202-L204 HydrophobicContact CD2-CG 3.89Å; F202-L204 HydrophobicContact CE2-CD1 3.97Å; F202-L204 HydrophobicContact CE2-CG 4.29Å; L204-Y249 CarbonylContact O-C 3.56Å; L204-Y249 VanDerWaalsContact O-CA 3.25Å; L204-Y249 WeakPolarHBondContact O-CA 3.43Å; L204-L250 HydrophobicContact CB-CB 4.46Å; L204-L250 PolarHBondContact N-O 3.26Å; L204-L250 PolarHBondContact O-N 3.38Å; L204-F286 HydrophobicContact CD1-CE1 3.92Å; L204-F286 HydrophobicContact CD1-CZ 3.67Å; L204-L302 HydrophobicContact CD1-CD1 4.38Å; L204-L302 HydrophobicContact CD2-CD1 4.11Å
205E88.1Confident91.2Very high160 Ų16046 Ų4675%0.74822%0.217SC*.EExtended strand (participates in β ladder)trans-128.5116.2171.8-173.9172.9170.100109.4S248 Y249E205-S248 WeakPolarHBondContact CA-O 3.15Å; E205-Y249 HydrophobicContact CB-CD2 4.08Å; E205-Y249 HydrophobicContact CG-CD2 4.33Å
206T87.2Confident91.4Very high19 Ų1948.8 Ų48.812%0.11724%0.237CC..EExtended strand (participates in β ladder)trans-127.2148.8-177.956.80000110F29 K247 S248F29-T206 HydrophobicContact CB-CG2 3.95Å; F29-T206 PolarHBondContact O-OG1 3.34Å; T206-K247 VanDerWaalsContact O-CA 3.32Å; T206-K247 WeakPolarHBondContact O-CA 3.27Å; T206-S248 PolarHBondContact N-O 3.23Å; T206-S248 PolarHBondContact O-N 2.74Å; T206-S248 PolarHBondContact OG1-OG 2.98Å
207K90.1Very high91.6Very high132 Ų13248.8 Ų48.857%0.57424%0.238SC*.EExtended strand (participates in β ladder)trans-132.30174.2-179.5179.4177.3179.30109.5I245 H246 K247K207-I245 HydrophobicContact CG-CG2 4.14Å; K207-H246 CarbonylContact C-O 3.59Å; K207-H246 WeakPolarHBondContact CA-O 3.46Å; K207-K247 HydrophobicContact CB-CG 3.98Å; K207-K247 HydrophobicContact CD-CD 4.18Å; K207-K247 HydrophobicContact CD-CG 4.18Å; K207-K247 HydrophobicContact CG-CD 4.18Å; K207-K247 HydrophobicContact CG-CG 3.61Å
208Y88.8Confident91.7Very high28 Ų2850.4 Ų50.411%0.1125%0.254CS..EExtended strand (participates in β ladder)0137.30-64.3-68.7000110.7L19 F29 F30 I245 H246L19-Y208 HydrophobicContact CD1-CE1 4.49Å; L19-Y208 HydrophobicContact CD1-CE2 4.18Å; L19-Y208 HydrophobicContact CD2-CD1 3.91Å; L19-Y208 HydrophobicContact CD2-CE1 3.92Å; L19-Y208 HydrophobicContact CD2-CG 4.42Å; F29-Y208 PolarHBondContact N-OH 2.12Å; F29-Y208 WeakPolarHBondContact O-CE2 3.33Å; F30-Y208 HydrophobicContact CB-CD2 4.36Å; F30-Y208 HydrophobicContact CB-CE2 4.06Å; Y208-I245 CarbonylContact O-C 3.49Å; Y208-I245 VanDerWaalsContact O-CA 3.31Å; Y208-I245 WeakPolarHBondContact O-CA 2.92Å; Y208-H246 PolarHBondContact N-O 2.83Å; Y208-H246 PolarHBondContact O-N 2.79Å
209E91.9Very high91.9Very high118 Ų11849.2 Ų49.255%0.55125%0.249SC*.EExtended strand (participates in β ladder)trans-91.4122.9160.7-169.5-174.4148.400110N211 K243 A244E209-N211 VanDerWaalsContact C-N 3.33Å; E209-N211 PolarHBondContact O-N 2.87Å; E209-K243 HydrophobicContact CG-CG 4.34Å; E209-A244 CarbonylContact C-O 3.56Å; E209-A244 WeakPolarHBondContact CA-O 3.48Å
210L91.6Very high92.1Very high10 Ų1052.2 Ų52.25%0.05227%0.267CS..  trans-96.7-4.6-158.6-65.2177.4000109.6L35 S212 L213 L214 A244 H246L35-L210 HydrophobicContact CD2-CD1 3.18Å; L35-L210 HydrophobicContact CD2-CG 4.45Å; L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.01Å; L210-L213 CarbonylContact O-C 3.58Å; L210-L213 WeakPolarHBondContact O-CB 3.17Å; L210-L213 PolarHBondContact O-N 3.48Å; L210-L213 VanDerWaalsContact O-N 3.16Å; L210-L214 HydrophobicContact CB-CD1 4.07Å; L210-L214 HydrophobicContact CB-CG 4.1Å; L210-L214 WeakPolarHBondContact O-CB 3.16Å; L210-L214 VanDerWaalsContact O-CG 3.29Å; L210-L214 WeakPolarHBondContact O-CG 3.1Å; L210-L214 PolarHBondContact O-N 2.93Å; L210-A244 HydrophobicContact CB-CB 4.06Å; L210-A244 HydrophobicContact CD1-CB 4.4Å; L210-A244 PolarHBondContact N-O 3.17Å; L210-H246 HydrophobicContact CD1-CB 3.79Å; L210-H246 HydrophobicContact CD2-CB 4.17Å; L210-H246 HydrophobicContact CG-CB 4.09Å
211N92.1Very high92.3Very high14 Ų1453 Ų538%0.07527%0.271CS..Hα-helixtrans-57.9-54.5-172.1-71.345.6000110.9E209 L213 L214 K215 F223 S242 A244E209-N211 VanDerWaalsContact C-N 3.33Å; E209-N211 PolarHBondContact O-N 2.87Å; N211-L213 PolarHBondContact O-N 2.83Å; N211-L214 PolarHBondContact O-N 2.91Å; N211-K215 WeakPolarHBondContact O-CB 3.1Å; N211-K215 WeakPolarHBondContact O-CG 3.45Å; N211-K215 PolarHBondContact O-N 2.89Å; N211-F223 HydrophobicContact CB-CD1 4.46Å; N211-F223 HydrophobicContact CB-CE1 4.32Å; N211-F223 WeakPolarHBondContact ND2-CD1 3.18Å; N211-S242 PolarHBondContact ND2-O 3.21Å; N211-A244 PolarHBondContact OD1-N 2.68Å
212S94.5Very high92.8Very high91 Ų9148.8 Ų48.864%0.63626%0.255SS*.Hα-helixtrans-64.3-36.6-176.3-64.50000110.8L210 K215 S216L210-S212 VanDerWaalsContact C-N 3.33Å; L210-S212 PolarHBondContact O-N 3.01Å; S212-K215 PolarHBondContact O-N 2.62Å; S212-S216 WeakPolarHBondContact O-CB 3.31Å; S212-S216 PolarHBondContact O-N 3.34Å
213L95.6Very high93.1Very high7 Ų749.4 Ų49.44%0.03726%0.258CS..Hα-helixtrans-63.3-49.6179.5-177.2144.6000111.2V15 E18 L19 L210 N211 K215 S216 L217V15-L213 HydrophobicContact CG1-CD1 4.21Å; V15-L213 HydrophobicContact CG1-CD2 4.4Å; V15-L213 HydrophobicContact CG2-CD2 4.45Å; E18-L213 HydrophobicContact CB-CD1 4.4Å; E18-L213 HydrophobicContact CB-CG 4.2Å; E18-L213 HydrophobicContact CG-CB 4.48Å; E18-L213 HydrophobicContact CG-CD1 4.24Å; E18-L213 HydrophobicContact CG-CG 3.74Å; L19-L213 HydrophobicContact CD1-CD1 4.19Å; L19-L213 HydrophobicContact CD2-CD1 3.05Å; L19-L213 HydrophobicContact CG-CD1 3.28Å; L210-L213 CarbonylContact O-C 3.58Å; L210-L213 WeakPolarHBondContact O-CB 3.17Å; L210-L213 PolarHBondContact O-N 3.48Å; L210-L213 VanDerWaalsContact O-N 3.16Å; N211-L213 PolarHBondContact O-N 2.83Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 2.77Å; L213-S216 PolarHBondContact O-N 2.96Å; L213-S216 VanDerWaalsContact O-N 3.16Å; L213-S216 PolarHBondContact O-OG 2.3Å; L213-L217 HydrophobicContact CD2-CD1 3.61Å; L213-L217 HydrophobicContact CD2-CG 4.37Å; L213-L217 WeakPolarHBondContact O-CG 2.89Å; L213-L217 PolarHBondContact O-N 2.75Å; L213-L217 VanDerWaalsContact O-N 3.1Å
214L95Very high93.5Very high3 Ų346.2 Ų46.22%0.01625%0.247CC..Hα-helixtrans-68.8-33.2-176.4-69177.5000110.5L39 L210 N211 S216 L217 G218 V219 F223L39-L214 HydrophobicContact CD1-CD1 4.44Å; L39-L214 HydrophobicContact CD1-CD2 3.82Å; L39-L214 HydrophobicContact CD2-CD1 3.92Å; L210-L214 HydrophobicContact CB-CD1 4.07Å; L210-L214 HydrophobicContact CB-CG 4.1Å; L210-L214 WeakPolarHBondContact O-CB 3.16Å; L210-L214 VanDerWaalsContact O-CG 3.29Å; L210-L214 WeakPolarHBondContact O-CG 3.1Å; L210-L214 PolarHBondContact O-N 2.93Å; N211-L214 PolarHBondContact O-N 2.91Å; L214-S216 PolarHBondContact O-N 3.32Å; L214-L217 HydrophobicContact CD2-CD1 4.49Å; L214-L217 PolarHBondContact O-N 3.46Å; L214-L217 VanDerWaalsContact O-N 3.07Å; L214-G218 PolarHBondContact O-N 3.4Å; L214-V219 HydrophobicContact CB-CB 4.21Å; L214-V219 WeakPolarHBondContact O-CB 3.44Å; L214-V219 PolarHBondContact O-N 3.49Å; L214-F223 HydrophobicContact CB-CE2 3.69Å; L214-F223 HydrophobicContact CB-CZ 3.99Å; L214-F223 HydrophobicContact CD1-CE2 4.09Å; L214-F223 HydrophobicContact CD1-CZ 3.56Å; L214-F223 HydrophobicContact CG-CZ 4.38Å
215K96.3Very high93.9Very high93 Ų9351.4 Ų51.440%0.40427%0.271SS..Hα-helixtrans-64.2-39.5176.4-75.1-179.6-177.7175.40110.3N211 S212 L213 L217 G218 V219 T220 F223N211-K215 WeakPolarHBondContact O-CB 3.1Å; N211-K215 WeakPolarHBondContact O-CG 3.45Å; N211-K215 PolarHBondContact O-N 2.89Å; S212-K215 PolarHBondContact O-N 2.62Å; L213-K215 VanDerWaalsContact C-N 3.27Å; L213-K215 PolarHBondContact O-N 2.77Å; K215-L217 PolarHBondContact O-N 3.5Å; K215-G218 WeakPolarHBondContact O-CA 3.33Å; K215-G218 PolarHBondContact O-N 3.34Å; K215-V219 VanDerWaalsContact CA-O 3.3Å; K215-V219 WeakPolarHBondContact CA-O 3.46Å; K215-V219 WeakPolarHBondContact CG-O 3.41Å; K215-T220 HydrophobicContact CB-CG2 4.35Å; K215-F223 HydrophobicContact CD-CD2 4.49Å; K215-F223 HydrophobicContact CG-CD2 3.74Å; K215-F223 HydrophobicContact CG-CE2 4.29Å
216S96.8Very high94.2Very high59 Ų5950.1 Ų50.141%0.41327%0.274SS..Hα-helixtrans-67.2-22.9-179.773.90000111.4E18 S212 L213 L214E18-S216 WeakPolarHBondContact CG-OG 3.05Å; E18-S216 WeakPolarHBondContact OE1-CB 3.49Å; E18-S216 PolarHBondContact OE1-OG 2.81Å; E18-S216 PolarHBondContact OE2-OG 2.85Å; S212-S216 WeakPolarHBondContact O-CB 3.31Å; S212-S216 PolarHBondContact O-N 3.34Å; L213-S216 PolarHBondContact O-N 2.96Å; L213-S216 VanDerWaalsContact O-N 3.16Å; L213-S216 PolarHBondContact O-OG 2.3Å; L214-S216 PolarHBondContact O-N 3.32Å
217L95.9Very high94.6Very high41 Ų4155.5 Ų55.522%0.21530%0.296CS..THydrogen-bonded Turntrans-87.70-179.9-72.4178.1000110.5D14 V15 E18 V57 L213 L214 K215D14-L217 HydrophobicContact CB-CD2 4.13Å; V15-L217 HydrophobicContact CG2-CD1 4.13Å; E18-L217 HydrophobicContact CB-CD2 4.22Å; V57-L217 HydrophobicContact CG1-CB 4.22Å; V57-L217 HydrophobicContact CG1-CD1 4.37Å; V57-L217 HydrophobicContact CG2-CB 4.21Å; V57-L217 WeakPolarHBondContact CG2-O 3.38Å; L213-L217 HydrophobicContact CD2-CD1 3.61Å; L213-L217 HydrophobicContact CD2-CG 4.37Å; L213-L217 WeakPolarHBondContact O-CG 2.89Å; L213-L217 PolarHBondContact O-N 2.75Å; L213-L217 VanDerWaalsContact O-N 3.1Å; L214-L217 HydrophobicContact CD2-CD1 4.49Å; L214-L217 PolarHBondContact O-N 3.46Å; L214-L217 VanDerWaalsContact O-N 3.07Å; K215-L217 PolarHBondContact O-N 3.5Å
218G96.2Very high94.9Very high33 Ų3349.9 Ų49.934%0.3427%0.274SS..THydrogen-bonded Turn0-4.5000000112Q53 L214 K215 T220Q53-G218 WeakPolarHBondContact CB-O 3.13Å; L214-G218 PolarHBondContact O-N 3.4Å; K215-G218 WeakPolarHBondContact O-CA 3.33Å; K215-G218 PolarHBondContact O-N 3.34Å; G218-T220 PolarHBondContact O-N 2.71Å
219V96.4Very high95.3Very high0 Ų051.2 Ų51.20%028%0.283CS..  trans-94.191.4178.1-177.30000109.4L54 V57 L214 K215 L222 F223L54-V219 HydrophobicContact CD2-CG1 3.92Å; L54-V219 HydrophobicContact CD2-CG2 4.12Å; L54-V219 HydrophobicContact CG-CG1 4.3Å; V57-V219 HydrophobicContact CB-CG2 3.79Å; V57-V219 HydrophobicContact CG1-CG2 4.13Å; V57-V219 HydrophobicContact CG2-CG2 3.38Å; L214-V219 HydrophobicContact CB-CB 4.21Å; L214-V219 WeakPolarHBondContact O-CB 3.44Å; L214-V219 PolarHBondContact O-N 3.49Å; K215-V219 VanDerWaalsContact CA-O 3.3Å; K215-V219 WeakPolarHBondContact CA-O 3.46Å; K215-V219 WeakPolarHBondContact CG-O 3.41Å; V219-L222 HydrophobicContact CG1-CB 3.5Å; V219-L222 VanDerWaalsContact CG1-CB 3.5Å; V219-L222 HydrophobicContact CG1-CD2 3.84Å; V219-L222 HydrophobicContact CG1-CG 4.34Å; V219-F223 HydrophobicContact CG1-CE2 4.19Å; V219-F223 WeakPolarHBondContact O-CD2 3.5Å; V219-F223 WeakPolarHBondContact O-CE2 3.48Å
220T96.9Very high95.4Very high62 Ų6246.2 Ų46.238%0.3826%0.26SS..  trans-106.7-39.9-174.651.80000110Q53 K215 G218 L222 F223Q53-T220 PolarHBondContact NE2-OG1 3.15Å; Q53-T220 VanDerWaalsContact OE1-N 3.09Å; K215-T220 HydrophobicContact CB-CG2 4.35Å; G218-T220 PolarHBondContact O-N 2.71Å; T220-L222 PolarHBondContact O-N 3.32Å; T220-F223 PolarHBondContact O-N 3.1Å; T220-F223 VanDerWaalsContact O-N 3.08Å
221D97.4Very high95.6Very high16 Ų1648.8 Ų48.89%0.08628%0.279CS..G310 helixtrans-64.4-30.9-173.9-76.39.7000111.5E49 T50 Q53 F223 N224 K227 A228E49-D221 VanDerWaalsContact CB-OD2 3.29Å; E49-D221 WeakPolarHBondContact CB-OD2 3.24Å; E49-D221 VanDerWaalsContact CG-OD2 3.25Å; E49-D221 WeakPolarHBondContact CG-OD2 3.4Å; T50-D221 WeakPolarHBondContact OG1-CB 2.97Å; Q53-D221 PolarHBondContact NE2-OD1 3.43Å; D221-F223 PolarHBondContact O-N 3.06Å; D221-N224 PolarHBondContact O-N 2.9Å; D221-K227 HydrophobicContact CB-CB 4.21Å; D221-A228 WeakPolarHBondContact O-CA 3.36Å; D221-A228 WeakPolarHBondContact O-CB 3.22Å; D221-A228 PolarHBondContact O-N 2.84Å
222L95.9Very high95.5Very high0 Ų050 Ų500%030%0.295CS..G310 helixtrans-59.7-26.1-177.5-178.462.1000111.2V42 T50 L54 V219 T220 N224 L230 L241V42-L222 HydrophobicContact CG1-CD1 3.63Å; V42-L222 HydrophobicContact CG1-CD2 4.17Å; T50-L222 HydrophobicContact CG2-CB 4.29Å; T50-L222 HydrophobicContact CG2-CD1 4.1Å; L54-L222 HydrophobicContact CD2-CD2 4.21Å; V219-L222 HydrophobicContact CG1-CB 3.5Å; V219-L222 VanDerWaalsContact CG1-CB 3.5Å; V219-L222 HydrophobicContact CG1-CD2 3.84Å; V219-L222 HydrophobicContact CG1-CG 4.34Å; T220-L222 PolarHBondContact O-N 3.32Å; L222-N224 VanDerWaalsContact C-N 3.35Å; L222-L230 HydrophobicContact CD1-CD1 4.25Å; L222-L230 HydrophobicContact CD1-CD2 3.85Å; L222-L230 HydrophobicContact CD1-CG 4.41Å; L222-L241 HydrophobicContact CD1-CB 4.06Å; L222-L241 HydrophobicContact CD2-CB 4.34Å; L222-L241 HydrophobicContact CD2-CD2 3.61Å; L222-L241 HydrophobicContact CG-CB 3.73Å; L222-L241 HydrophobicContact CG-CD2 4Å; L222-L241 WeakPolarHBondContact O-CB 3.42Å; L222-L241 PolarHBondContact O-N 3.23Å
223F94.9Very high95.3Very high18 Ų1851.2 Ų51.28%0.07929%0.292CS..G310 helixtrans-107.513-174.6-62.3-75.1000110.3N211 L214 K215 V219 T220 D221 L241N211-F223 HydrophobicContact CB-CD1 4.46Å; N211-F223 HydrophobicContact CB-CE1 4.32Å; N211-F223 WeakPolarHBondContact ND2-CD1 3.18Å; L214-F223 HydrophobicContact CB-CE2 3.69Å; L214-F223 HydrophobicContact CB-CZ 3.99Å; L214-F223 HydrophobicContact CD1-CE2 4.09Å; L214-F223 HydrophobicContact CD1-CZ 3.56Å; L214-F223 HydrophobicContact CG-CZ 4.38Å; K215-F223 HydrophobicContact CD-CD2 4.49Å; K215-F223 HydrophobicContact CG-CD2 3.74Å; K215-F223 HydrophobicContact CG-CE2 4.29Å; V219-F223 HydrophobicContact CG1-CE2 4.19Å; V219-F223 WeakPolarHBondContact O-CD2 3.5Å; V219-F223 WeakPolarHBondContact O-CE2 3.48Å; T220-F223 PolarHBondContact O-N 3.1Å; T220-F223 VanDerWaalsContact O-N 3.08Å; D221-F223 PolarHBondContact O-N 3.06Å; F223-L241 WeakPolarHBondContact CA-O 2.98Å; F223-L241 HydrophobicContact CD1-CB 4.14Å; F223-L241 HydrophobicContact CD1-CD2 4.21Å; F223-L241 HydrophobicContact CD1-CG 4.24Å; F223-L241 WeakPolarHBondContact CD1-O 3.37Å; F223-L241 HydrophobicContact CE1-CB 4.2Å; F223-L241 HydrophobicContact CE1-CD2 3.41Å; F223-L241 VanDerWaalsContact CE1-CD2 3.41Å; F223-L241 HydrophobicContact CE1-CG 3.86Å; F223-L241 HydrophobicContact CZ-CD2 3.9Å
224N95.4Very high95.1Very high61 Ų6152.5 Ų52.533%0.32630%0.301SS..  trans-112.5125177.9-175-58.3000110.6D221 L222 V226 K227 A228D221-N224 PolarHBondContact O-N 2.9Å; L222-N224 VanDerWaalsContact C-N 3.35Å; N224-V226 PolarHBondContact O-N 2.83Å; N224-V226 VanDerWaalsContact O-N 3.13Å; N224-V226 WeakPolarHBondContact OD1-CA 3.27Å; N224-V226 WeakPolarHBondContact OD1-CB 3.32Å; N224-V226 PolarHBondContact OD1-N 3.13Å; N224-K227 HydrophobicContact CB-CB 3.97Å; N224-K227 HydrophobicContact CB-CG 4.44Å; N224-K227 PolarHBondContact O-N 2.76Å; N224-K227 PolarHBondContact OD1-N 2.82Å; N224-A228 WeakPolarHBondContact O-CA 3.48Å; N224-A228 WeakPolarHBondContact O-CB 2.66Å; N224-A228 PolarHBondContact O-N 2.61Å
225Q94Very high94.7Very high115 Ų11558.2 Ų58.254%0.53734%0.338SS..THydrogen-bonded Turntrans-65.1-29-172.8-172172.1400111Y240Q225-Y240 HydrophobicContact CB-CD1 3.61Å; Q225-Y240 HydrophobicContact CB-CE1 3.66Å; Q225-Y240 HydrophobicContact CB-CG 4.06Å; Q225-Y240 HydrophobicContact CG-CD1 3.48Å; Q225-Y240 VanDerWaalsContact CG-CD1 3.48Å; Q225-Y240 HydrophobicContact CG-CE1 3.49Å; Q225-Y240 VanDerWaalsContact CG-CE1 3.49Å; Q225-Y240 HydrophobicContact CG-CG 4.4Å
226V95Very high94.3Very high133 Ų13358.5 Ų58.581%0.80635%0.348SS*.THydrogen-bonded Turntrans-90.2-30-175.7178.90000109.9N224N224-V226 PolarHBondContact O-N 2.83Å; N224-V226 VanDerWaalsContact O-N 3.13Å; N224-V226 WeakPolarHBondContact OD1-CA 3.27Å; N224-V226 WeakPolarHBondContact OD1-CB 3.32Å; N224-V226 PolarHBondContact OD1-N 3.13Å
227K96.2Very high93.9Very high131 Ų13165.4 Ų65.457%0.5737%0.37SS*.THydrogen-bonded Turntrans-99.1-26.2-170.9-68.9-174.8178.8179.50110.9D221 N224 D229D221-K227 HydrophobicContact CB-CB 4.21Å; N224-K227 HydrophobicContact CB-CB 3.97Å; N224-K227 HydrophobicContact CB-CG 4.44Å; N224-K227 PolarHBondContact O-N 2.76Å; N224-K227 PolarHBondContact OD1-N 2.82Å; K227-D229 PolarHBondContact O-N 3.19Å
228A96.2Very high93.5Very high14 Ų1465 Ų6512%0.11638%0.376CS..  trans-60.3132.8-176.600000111.1D221 N224D221-A228 WeakPolarHBondContact O-CA 3.36Å; D221-A228 WeakPolarHBondContact O-CB 3.22Å; D221-A228 PolarHBondContact O-N 2.84Å; N224-A228 WeakPolarHBondContact O-CA 3.48Å; N224-A228 WeakPolarHBondContact O-CB 2.66Å; N224-A228 PolarHBondContact O-N 2.61Å
229D96.1Very high93.3Very high57 Ų5766.7 Ų66.731%0.30538%0.377SS..  trans-121.3100.7176.2-173.9-12.9000109.5A46 R47 T50 K227 S231A46-D229 CarbonylContact C-O 3.17Å; A46-D229 WeakPolarHBondContact CA-O 2.81Å; R47-D229 PolarHBondContact N-O 2.92Å; R47-D229 WeakPolarHBondContact O-CB 3.37Å; T50-D229 PolarHBondContact OG1-N 3.48Å; K227-D229 PolarHBondContact O-N 3.19Å; D229-S231 WeakPolarHBondContact OD1-CB 3.11Å; D229-S231 PolarHBondContact OD1-N 3.27Å; D229-S231 PolarHBondContact OD1-OG 3.4Å
230L95.1Very high93.2Very high12 Ų1270.7 Ų70.76%0.06339%0.393CS..  trans-119.139.1179.3-64.8174.2000109.6V42 G45 A46 T50 L222 G232 M233 S234 L239V42-L230 HydrophobicContact CG1-CD2 4.04Å; G45-L230 CarbonylContact O-C 3.54Å; G45-L230 WeakPolarHBondContact O-CA 2.86Å; A46-L230 HydrophobicContact CB-CD2 4.04Å; T50-L230 HydrophobicContact CG2-CD2 4.47Å; L222-L230 HydrophobicContact CD1-CD1 4.25Å; L222-L230 HydrophobicContact CD1-CD2 3.85Å; L222-L230 HydrophobicContact CD1-CG 4.41Å; L230-G232 PolarHBondContact O-N 3.45Å; L230-G232 VanDerWaalsContact O-N 3.11Å; L230-M233 HydrophobicContact CB-SD 4.44Å; L230-M233 HydrophobicContact CD2-SD 4.4Å; L230-M233 WeakPolarHBondContact O-CB 3.18Å; L230-M233 PolarHBondContact O-N 2.99Å; L230-S234 PolarHBondContact O-N 2.98Å; L230-L239 HydrophobicContact CB-CD2 3.9Å; L230-L239 HydrophobicContact CB-CG 4.3Å; L230-L239 HydrophobicContact CD1-CD2 4.18Å; L230-L239 HydrophobicContact CD1-CG 3.93Å
231S94.7Very high92.9Very high65 Ų6570 Ų7046%0.45539%0.386SS..THydrogen-bonded Turntrans-68.2-15.9-174.256.30000110.6R47 D229 M233 S234R47-S231 WeakPolarHBondContact CG-OG 3.46Å; D229-S231 WeakPolarHBondContact OD1-CB 3.11Å; D229-S231 PolarHBondContact OD1-N 3.27Å; D229-S231 PolarHBondContact OD1-OG 3.4Å; S231-M233 PolarHBondContact O-N 2.91Å; S231-S234 VanDerWaalsContact CA-O 3.28Å; S231-S234 WeakPolarHBondContact CA-O 3.38Å
232G90.9Very high92.6Very high39 Ų3973 Ų7340%0.40241%0.409SS..THydrogen-bonded Turntrans-71.2-16.6174.300000112.4G45 L230G45-G232 WeakPolarHBondContact O-CA 3.41Å; G45-G232 PolarHBondContact O-N 3.38Å; L230-G232 PolarHBondContact O-N 3.45Å; L230-G232 VanDerWaalsContact O-N 3.11Å
233M90.6Very high92.2Very high117 Ų11778.4 Ų78.458%0.57643%0.433SS*.THydrogen-bonded Turntrans-98.4-41.7179.1-65.9-179.682.700110.7G45 L230 S231 L239G45-M233 VanDerWaalsContact CA-CG 3.4Å; L230-M233 HydrophobicContact CB-SD 4.44Å; L230-M233 HydrophobicContact CD2-SD 4.4Å; L230-M233 WeakPolarHBondContact O-CB 3.18Å; L230-M233 PolarHBondContact O-N 2.99Å; S231-M233 PolarHBondContact O-N 2.91Å; M233-L239 HydrophobicContact CB-CD2 4.33Å
234S90.2Very high91.8Very high33 Ų3378.4 Ų78.423%0.23144%0.436CS..  trans-150.2139.4-178.3173.90000109.3L230 S231 T236L230-S234 PolarHBondContact O-N 2.98Å; S231-S234 VanDerWaalsContact CA-O 3.28Å; S231-S234 WeakPolarHBondContact CA-O 3.38Å; S234-T236 PolarHBondContact O-N 2.83Å; S234-T236 WeakPolarHBondContact OG-CB 3.48Å; S234-T236 PolarHBondContact OG-N 2.98Å; S234-T236 PolarHBondContact OG-OG1 2.75Å
235P87.8Confident91.4Very high124 Ų12479.5 Ų79.581%0.80544%0.441SS*.SBendtrans-71.4-10.3179.426.8-30.9000111.7
236T88.8Confident91.1Very high98 Ų9874.6 Ų74.660%0.60142%0.418SS*.  trans-67.70-178.8-56.40000110.5S234S234-T236 PolarHBondContact O-N 2.83Å; S234-T236 WeakPolarHBondContact OG-CB 3.48Å; S234-T236 PolarHBondContact OG-N 2.98Å; S234-T236 PolarHBondContact OG-OG1 2.75Å
237K86.4Confident90.6Very high204 Ų20474.8 Ų74.889%0.88741%0.408SS*.THydrogen-bonded Turn0142.70-68.9-171.3-179.8-178.90110.5L239K237-L239 VanDerWaalsContact C-N 3.34Å
238G87.9Confident89.9Confident33 Ų3369 Ų6934%0.3438%0.384SS..THydrogen-bonded Turntrans100.92172.500000111.5Y240G238-Y240 WeakPolarHBondContact O-CD1 3.26Å; G238-Y240 PolarHBondContact O-N 2.78Å
239L92.6Very high89Confident69 Ų6974.3 Ų74.336%0.36140%0.402SS..  trans-71.9127177.9-178.565.4000109.7L230 M233 K237L230-L239 HydrophobicContact CB-CD2 3.9Å; L230-L239 HydrophobicContact CB-CG 4.3Å; L230-L239 HydrophobicContact CD1-CD2 4.18Å; L230-L239 HydrophobicContact CD1-CG 3.93Å; M233-L239 HydrophobicContact CB-CD2 4.33Å; K237-L239 VanDerWaalsContact C-N 3.34Å
240Y94.9Very high88.3Confident84 Ų8471.8 Ų71.833%0.32939%0.389SS..  trans-148.8165.8177.168.7-75.6000109Q225 G238 S242Q225-Y240 HydrophobicContact CB-CD1 3.61Å; Q225-Y240 HydrophobicContact CB-CE1 3.66Å; Q225-Y240 HydrophobicContact CB-CG 4.06Å; Q225-Y240 HydrophobicContact CG-CD1 3.48Å; Q225-Y240 VanDerWaalsContact CG-CD1 3.48Å; Q225-Y240 HydrophobicContact CG-CE1 3.49Å; Q225-Y240 VanDerWaalsContact CG-CE1 3.49Å; Q225-Y240 HydrophobicContact CG-CG 4.4Å; G238-Y240 WeakPolarHBondContact O-CD1 3.26Å; G238-Y240 PolarHBondContact O-N 2.78Å; Y240-S242 PolarHBondContact O-N 3.24Å
241L90.5Very high87.7Confident46 Ų4673.9 Ų73.924%0.24140%0.4CS..  trans-89.2115.4178.4-172.967.4000110.7L222 F223 A244L222-L241 HydrophobicContact CD1-CB 4.06Å; L222-L241 HydrophobicContact CD2-CB 4.34Å; L222-L241 HydrophobicContact CD2-CD2 3.61Å; L222-L241 HydrophobicContact CG-CB 3.73Å; L222-L241 HydrophobicContact CG-CD2 4Å; L222-L241 WeakPolarHBondContact O-CB 3.42Å; L222-L241 PolarHBondContact O-N 3.23Å; F223-L241 WeakPolarHBondContact CA-O 2.98Å; F223-L241 HydrophobicContact CD1-CB 4.14Å; F223-L241 HydrophobicContact CD1-CD2 4.21Å; F223-L241 HydrophobicContact CD1-CG 4.24Å; F223-L241 WeakPolarHBondContact CD1-O 3.37Å; F223-L241 HydrophobicContact CE1-CB 4.2Å; F223-L241 HydrophobicContact CE1-CD2 3.41Å; F223-L241 VanDerWaalsContact CE1-CD2 3.41Å; F223-L241 HydrophobicContact CE1-CG 3.86Å; F223-L241 HydrophobicContact CZ-CD2 3.9Å; L241-A244 HydrophobicContact CD2-CB 4.19Å
242S90.4Very high87Confident81 Ų8171 Ų7157%0.56638%0.379SS*.  trans-81.8-43.6-174.555.60000110.9N211 Y240N211-S242 PolarHBondContact ND2-O 3.21Å; Y240-S242 PolarHBondContact O-N 3.24Å
243K88.6Confident86.3Confident112 Ų11270.7 Ų70.749%0.48737%0.371SS..  trans-147.60-175.9-172172.9-178.8178.80109.4E209 I245E209-K243 HydrophobicContact CG-CG 4.34Å; K243-I245 HydrophobicContact CD-CD1 3.96Å; K243-I245 HydrophobicContact CD-CG1 4.19Å; K243-I245 HydrophobicContact CG-CD1 4.36Å; K243-I245 HydrophobicContact CG-CG1 4.06Å
244A85.5Confident85.2Confident19 Ų1966.9 Ų66.916%0.15735%0.352CS..  0126.7000000109.1E209 L210 N211 L241E209-A244 CarbonylContact C-O 3.56Å; E209-A244 WeakPolarHBondContact CA-O 3.48Å; L210-A244 HydrophobicContact CB-CB 4.06Å; L210-A244 HydrophobicContact CD1-CB 4.4Å; L210-A244 PolarHBondContact N-O 3.17Å; N211-A244 PolarHBondContact OD1-N 2.68Å; L241-A244 HydrophobicContact CD2-CB 4.19Å
245I86.9Confident83.7Confident84 Ų8472.4 Ų72.443%0.43137%0.374SS..EExtended strand (participates in β ladder)trans-1240-175.9-64.4172.7000108.2K207 Y208 K243 K247K207-I245 HydrophobicContact CG-CG2 4.14Å; Y208-I245 CarbonylContact O-C 3.49Å; Y208-I245 VanDerWaalsContact O-CA 3.31Å; Y208-I245 WeakPolarHBondContact O-CA 2.92Å; K243-I245 HydrophobicContact CD-CD1 3.96Å; K243-I245 HydrophobicContact CD-CG1 4.19Å; K243-I245 HydrophobicContact CG-CD1 4.36Å; K243-I245 HydrophobicContact CG-CG1 4.06Å; I245-K247 HydrophobicContact CG2-CG 4.21Å
246H87.6Confident81.6Confident12 Ų1267.5 Ų67.56%0.05635%0.347CS..EExtended strand (participates in β ladder)0127.20176.868000110.3S31 L35 K207 Y208 L210S31-H246 PolarHBondContact N-NE2 3.49Å; L35-H246 HydrophobicContact CD2-CB 3.79Å; K207-H246 CarbonylContact C-O 3.59Å; K207-H246 WeakPolarHBondContact CA-O 3.46Å; Y208-H246 PolarHBondContact N-O 2.83Å; Y208-H246 PolarHBondContact O-N 2.79Å; L210-H246 HydrophobicContact CD1-CB 3.79Å; L210-H246 HydrophobicContact CD2-CB 4.17Å; L210-H246 HydrophobicContact CG-CB 4.09Å
247K84.3Confident78.7Confident136 Ų13668.5 Ų68.559%0.59135%0.352SS*.EExtended strand (participates in β ladder)trans-124.1139.2178.1-69-176.9-177.7178.60109.6T206 K207 I245T206-K247 VanDerWaalsContact O-CA 3.32Å; T206-K247 WeakPolarHBondContact O-CA 3.27Å; K207-K247 HydrophobicContact CB-CG 3.98Å; K207-K247 HydrophobicContact CD-CD 4.18Å; K207-K247 HydrophobicContact CD-CG 4.18Å; K207-K247 HydrophobicContact CG-CD 4.18Å; K207-K247 HydrophobicContact CG-CG 3.61Å; I245-K247 HydrophobicContact CG2-CG 4.21Å
248S81.1Confident76.2Confident10 Ų1067.6 Ų67.67%0.0735%0.352CS..EExtended strand (participates in β ladder)trans-146151.8177.957.80000109.9F29 E205 T206F29-S248 VanDerWaalsContact CD1-OG 3.25Å; F29-S248 WeakPolarHBondContact CD1-OG 3.33Å; F29-S248 PolarHBondContact O-OG 2.59Å; E205-S248 WeakPolarHBondContact CA-O 3.15Å; T206-S248 PolarHBondContact N-O 3.23Å; T206-S248 PolarHBondContact O-N 2.74Å; T206-S248 PolarHBondContact OG1-OG 2.98Å
249Y78.6Confident73.8Confident125 Ų12570.7 Ų70.749%0.4937%0.374SS..EExtended strand (participates in β ladder)trans-136.3134.6-178.2171.1-96.1000109.3L204 E205 D251L204-Y249 CarbonylContact O-C 3.56Å; L204-Y249 VanDerWaalsContact O-CA 3.25Å; L204-Y249 WeakPolarHBondContact O-CA 3.43Å; E205-Y249 HydrophobicContact CB-CD2 4.08Å; E205-Y249 HydrophobicContact CG-CD2 4.33Å; Y249-D251 HydrophobicContact CE1-CB 3.74Å; Y249-D251 WeakPolarHBondContact OH-CB 3.37Å
250L81.2Confident70.8Confident4 Ų472.2 Ų72.22%0.02140%0.396CS..EExtended strand (participates in β ladder)trans-135.9133.2174.7175.271.4000110.3F29 L103 F202 K203 L204 V252 F286 I288F29-L250 HydrophobicContact CD1-CB 4.08Å; F29-L250 HydrophobicContact CD2-CD2 4.33Å; F29-L250 HydrophobicContact CE1-CB 3.3Å; F29-L250 HydrophobicContact CE2-CB 3.89Å; F29-L250 HydrophobicContact CE2-CD2 3.7Å; F29-L250 HydrophobicContact CE2-CG 4.32Å; F29-L250 HydrophobicContact CZ-CB 3.18Å; F29-L250 HydrophobicContact CZ-CD1 4.26Å; F29-L250 HydrophobicContact CZ-CD2 3.88Å; F29-L250 HydrophobicContact CZ-CG 3.97Å; L103-L250 HydrophobicContact CD1-CD1 4.5Å; F202-L250 HydrophobicContact CE2-CD2 3.9Å; K203-L250 CarbonylContact C-O 3.6Å; K203-L250 WeakPolarHBondContact CA-O 3.38Å; L204-L250 HydrophobicContact CB-CB 4.46Å; L204-L250 PolarHBondContact N-O 3.26Å; L204-L250 PolarHBondContact O-N 3.38Å; L250-V252 HydrophobicContact CD1-CG2 4.13Å; L250-V252 HydrophobicContact CD2-CG2 3.71Å; L250-V252 HydrophobicContact CG-CG2 3.74Å; L250-F286 HydrophobicContact CD2-CE2 3.54Å; L250-F286 HydrophobicContact CD2-CZ 3.76Å; L250-I288 HydrophobicContact CD1-CD1 4.04Å
251D81.5Confident67.7Low57 Ų5772.6 Ų72.631%0.30542%0.417SS..EExtended strand (participates in β ladder)trans-123.9108174.7-176-4.5000109.6K203 Y249K203-D251 WeakPolarHBondContact CE-OD2 3.44Å; K203-D251 HydrophobicContact CG-CB 4.25Å; K203-D251 WeakPolarHBondContact CG-OD1 3.28Å; Y249-D251 HydrophobicContact CE1-CB 3.74Å; Y249-D251 WeakPolarHBondContact OH-CB 3.37Å
252V80Confident65.3Low3 Ų375.3 Ų75.32%0.01845%0.446CS..EExtended strand (participates in β ladder)trans-100.5113.1178.5178.20000109.2I105 M128 M158 L199 R201 F202 L250I105-V252 HydrophobicContact CD1-CG1 3.96Å; M128-V252 HydrophobicContact CE-CG1 3.91Å; M158-V252 HydrophobicContact CE-CG2 4.01Å; L199-V252 HydrophobicContact CD2-CG1 4.38Å; R201-V252 VanDerWaalsContact CG-O 3.32Å; R201-V252 WeakPolarHBondContact CG-O 3.21Å; F202-V252 HydrophobicContact CD1-CB 4.21Å; F202-V252 HydrophobicContact CD2-CB 4.48Å; F202-V252 HydrophobicContact CD2-CG2 4.3Å; F202-V252 HydrophobicContact CE1-CB 3.88Å; F202-V252 HydrophobicContact CE1-CG1 4.06Å; F202-V252 HydrophobicContact CE1-CG2 3.99Å; F202-V252 HydrophobicContact CE2-CB 4.18Å; F202-V252 HydrophobicContact CE2-CG2 3.6Å; F202-V252 HydrophobicContact CG-CB 4.49Å; F202-V252 HydrophobicContact CZ-CB 3.87Å; F202-V252 HydrophobicContact CZ-CG1 4.33Å; F202-V252 HydrophobicContact CZ-CG2 3.43Å; F202-V252 VanDerWaalsContact CZ-CG2 3.43Å; F202-V252 PolarHBondContact N-O 3.06Å; F202-V252 PolarHBondContact O-N 2.74Å; L250-V252 HydrophobicContact CD1-CG2 4.13Å; L250-V252 HydrophobicContact CD2-CG2 3.71Å; L250-V252 HydrophobicContact CG-CG2 3.74Å
253S77Confident62.6Low33 Ų3378.1 Ų78.123%0.23146%0.46CS..  trans-136.7-168.4179.466.60000109.7
254E67.3Low60.4Low37 Ų3776 Ų7617%0.17347%0.47CS..  trans-91.92.5-173-64.392.2160.900109.9T112 M128 R201 G256T112-E254 WeakPolarHBondContact CG2-OE1 1.51Å; M128-E254 HydrophobicContact CB-CG 4.44Å; M128-E254 HydrophobicContact CG-CG 3.77Å; M128-E254 WeakPolarHBondContact CG-OE1 3.46Å; M128-E254 VanDerWaalsContact SD-CD 3.52Å; M128-E254 HydrophobicContact SD-CG 3.48Å; M128-E254 WeakPolarHBondContact SD-CG 3.43Å; R201-E254 IonicContact CZ-OE1 3.16Å; R201-E254 IonicContact CZ-OE2 2.66Å; R201-E254 IonicContact NE-OE1 3.96Å; R201-E254 PolarHBondContact NE-OE1 3.21Å; R201-E254 IonicContact NE-OE2 3.5Å; R201-E254 PolarHBondContact NE-OE2 2.91Å; R201-E254 IonicContact NH1-OE2 3.9Å; R201-E254 IonicContact NH2-OE1 2.48Å; R201-E254 PolarHBondContact NH2-OE1 3.01Å; R201-E254 IonicContact NH2-OE2 1.86Å; R201-E254 PolarHBondContact NH2-OE2 2.77Å; E254-G256 PolarHBondContact O-N 3.46Å
255E58.3Low57.7Low149 Ų14982.5 Ų82.570%0.69650%0.502SS*.  trans-76.80-167-77.7-169176.700109.6S104S104-E255 WeakPolarHBondContact CB-O 2.67Å; S104-E255 PolarHBondContact OG-O 3.45Å
256G45Very low55.1Low22 Ų2283.7 Ų83.723%0.22752%0.518CS..  00000000109.8S104 R108 E254S104-G256 PolarHBondContact OG-N 3.01Å; R108-G256 WeakPolarHBondContact CD-O 3.05Å; R108-G256 WeakPolarHBondContact CG-O 2.87Å; R108-G256 CovalentContact CZ-C 1.19Å; R108-G256 CovalentContact CZ-O 1.24Å; R108-G256 PolarHBondContact NE-O 3.36Å; R108-G256 PolarHBondContact NH1-O 3.34Å; R108-G256 VanDerWaalsContact NH2-N 3.12Å; R108-G256 PolarHBondContact NH2-O 3.01Å; E254-G256 PolarHBondContact O-N 3.46Å
257T27.8Very low52.3Low118 Ų11890.9 Ų90.972%0.72456%0.555SS**  000-46.90000111R108R108-T257 CovalentContact CZ-N 0.94Å; R108-T257 CovalentContact NH1-CA 1.35Å; R108-T257 PolarHBondContact NH1-OG1 3.36Å; R108-T257 CovalentContact NH2-N 0.72Å; R108-T257 PolarHBondContact NH2-O 3.47Å; R108-T257 PolarHBondContact NH2-OG1 3.49Å
258E33.3Very low49.9Very low186 Ų18688.3 Ų88.387%0.86956%0.559SS**  000-99.5-168.4176.700109.4
259A38Very low47.9Very low97 Ų9794.3 Ų94.380%0.80260%0.595SS**  092.7000000111.1
260A29.4Very low46.1Very low101 Ų10197 Ų9784%0.83561%0.609SS**  trans-13287.4152.800000109.5
261A30Very low44.3Very low92 Ų92102.6 Ų102.676%0.7665%0.649SS**  142.40114.500000109.2
262A39.5Very low42.7Very low103 Ų103105.9 Ų105.985%0.85167%0.666SS**  090.8000000111.4
263T34.5Very low41.5Very low140 Ų140110.3 Ų110.386%0.85970%0.695SS**  trans-132.20143120000109.3
264G41.3Very low41Very low69 Ų69118.5 Ų118.571%0.71173%0.732SS**  00000000112.3
265D28.7Very low41.6Very low155 Ų155121 Ų12183%0.82974%0.739SS**  000-110-4.1000109.4
266S32.2Very low43.1Very low109 Ų109115 Ų11576%0.76272%0.716SS**  092.8049.80000111A268S266-A268 PolarHBondContact O-N 2.75Å
267I30.3Very low45.5Very low163 Ų163119.4 Ų119.484%0.83673%0.731SS**  trans-50.279.4170.7-59176.7000109.7V269I267-V269 HydrophobicContact CG2-CG2 3.8Å
268A34.1Very low48.7Very low81 Ų81113.8 Ų113.867%0.66970%0.696SS**  trans-75.40141.200000110.3S266 K270S266-A268 PolarHBondContact O-N 2.75Å; A268-K270 PolarHBondContact O-N 2.91Å
269V38.8Very low51.7Low136 Ų136108.8 Ų108.882%0.82467%0.671SS**  070.60-177.40000109.1I267I267-V269 HydrophobicContact CG2-CG2 3.8Å
270K39.8Very low54.5Low181 Ų181104.1 Ų104.179%0.78763%0.633SS**  trans-92.20164.3-91.2-177.3-178.9-178.90109.8A268 L272A268-K270 PolarHBondContact O-N 2.91Å; K270-L272 PolarHBondContact O-N 3.35Å
271S43.5Very low57.5Low122 Ų122100.2 Ų100.285%0.85360%0.598SS**  085.9075.30000111.6
272L48.1Very low60.6Low126 Ų12698 Ų9866%0.6657%0.572SS**  trans-55114.7177.9-84.1138.1000110.3K270 M274K270-L272 PolarHBondContact O-N 3.35Å; L272-M274 PolarHBondContact O-N 2.69Å
273P54.9Low63.3Low97 Ų9794.3 Ų94.363%0.6354%0.539SS*.  trans-36.10172.13.3-0.1000111.8R275P273-R275 PolarHBondContact O-N 3.33Å
274M66.6Low66.3Low204 Ų20487.6 Ų87.6100%1.00550%0.498SS*.  0101.70-120179.2138.500110.8L272L272-M274 PolarHBondContact O-N 2.69Å
275R80.1Confident69Low89 Ų8984.3 Ų84.334%0.33646%0.464SS..  trans-77.4140.4177.1-61.1172.9-176.4166.3-1109.8E194 P273E194-R275 IonicContact OE2-NE 3.61Å; P273-R275 PolarHBondContact O-N 3.33Å
276A90.3Very high72.2Confident25 Ų2577 Ų7721%0.20743%0.425CS..EExtended strand (participates in β ladder)trans-65.8142.2173.600000111.2L136 F138 E194 V195 E196L136-A276 HydrophobicContact CD2-CB 3.82Å; F138-A276 HydrophobicContact CZ-CB 4.48Å; E194-A276 PolarHBondContact O-N 2.61Å; V195-A276 WeakPolarHBondContact CA-O 2.45Å; V195-A276 HydrophobicContact CG2-CB 4.39Å; E196-A276 PolarHBondContact N-O 2.59Å
277Q94Very high75.3Confident114 Ų11471.8 Ų71.853%0.53339%0.388SS..EExtended strand (participates in β ladder)trans-112.4131.3-179.6-71.4-167.624.200109.7Q145 E196Q145-Q277 PolarHBondContact NE2-O 3.42Å; Q145-Q277 PolarHBondContact OE1-O 2.78Å; E196-Q277 HydrophobicContact CB-CG 4.48Å
278F96Very high78.3Confident0 Ų064 Ų640%035%0.349CS..EExtended strand (participates in β ladder)trans-119.3104170.6-173.2-83.8000109.8L136 Q145 L147 I160 L162 V195 E196 V197 H198 A280L136-F278 HydrophobicContact CD1-CD2 3.76Å; L136-F278 HydrophobicContact CD1-CE2 4.38Å; Q145-F278 HydrophobicContact CB-CD2 3.89Å; Q145-F278 HydrophobicContact CB-CE2 3.81Å; L147-F278 HydrophobicContact CB-CD1 4.3Å; L147-F278 HydrophobicContact CB-CD2 3.57Å; L147-F278 HydrophobicContact CB-CE1 4.06Å; L147-F278 HydrophobicContact CB-CE2 3.28Å; L147-F278 HydrophobicContact CB-CG 4.06Å; L147-F278 HydrophobicContact CB-CZ 3.56Å; L147-F278 HydrophobicContact CD2-CB 4.34Å; L147-F278 HydrophobicContact CD2-CD1 3.52Å; L147-F278 HydrophobicContact CD2-CD2 4.17Å; L147-F278 HydrophobicContact CD2-CE1 3.73Å; L147-F278 HydrophobicContact CD2-CE2 4.34Å; L147-F278 HydrophobicContact CD2-CG 3.75Å; L147-F278 HydrophobicContact CD2-CZ 4.14Å; L147-F278 HydrophobicContact CG-CD2 4.32Å; L147-F278 HydrophobicContact CG-CE2 4.39Å; L147-F278 HydrophobicContact CG-CG 4.37Å; I160-F278 HydrophobicContact CB-CE1 4.3Å; I160-F278 HydrophobicContact CB-CZ 3.77Å; I160-F278 HydrophobicContact CD1-CE1 4.29Å; I160-F278 HydrophobicContact CG2-CE1 3.97Å; I160-F278 HydrophobicContact CG2-CZ 3.52Å; L162-F278 HydrophobicContact CB-CE2 3.96Å; L162-F278 HydrophobicContact CB-CZ 3.71Å; L162-F278 HydrophobicContact CD2-CD1 4.44Å; L162-F278 HydrophobicContact CD2-CE1 4.09Å; L162-F278 HydrophobicContact CD2-CE2 4.17Å; L162-F278 HydrophobicContact CD2-CZ 3.95Å; L162-F278 HydrophobicContact CG-CZ 4.47Å; V195-F278 HydrophobicContact CG1-CB 3.78Å; E196-F278 PolarHBondContact O-N 2.85Å; V197-F278 CarbonylContact C-O 3.58Å; V197-F278 WeakPolarHBondContact CA-O 3.47Å; V197-F278 HydrophobicContact CG1-CD1 4.33Å; H198-F278 PolarHBondContact N-O 3.34Å; F278-A280 HydrophobicContact CE1-CB 4.02Å
279K95.7Very high81.1Confident80 Ų8060.8 Ų60.835%0.34832%0.319SS..EExtended strand (participates in β ladder)trans-115.2103.1-175.2-170.1173.1178.5177.10109.8M115 L162 H198 N281M115-K279 HydrophobicContact CE-CD 3.7Å; M115-K279 HydrophobicContact CE-CG 4.13Å; L162-K279 WeakPolarHBondContact CD2-O 3.45Å; H198-K279 HydrophobicContact CB-CB 4.41Å; H198-K279 HydrophobicContact CB-CG 3.97Å; K279-N281 VanDerWaalsContact C-N 3.27Å; K279-N281 WeakPolarHBondContact CE-ND2 3.25Å; K279-N281 HydrophobicContact CG-CB 4.08Å; K279-N281 PolarHBondContact O-N 3.03Å; K279-N281 PolarHBondContact O-OD1 3.44Å
280A95.8Very high83.5Confident0 Ų054.8 Ų54.80%028%0.282CS..  trans-89.571.1179.600000111.2L162 H198 L199 P200 F278 F284L162-A280 HydrophobicContact CD1-CB 4.43Å; L162-A280 HydrophobicContact CD2-CB 4.47Å; H198-A280 WeakPolarHBondContact O-CB 3.41Å; H198-A280 PolarHBondContact O-N 3.17Å; L199-A280 HydrophobicContact CD1-CB 3.89Å; P200-A280 WeakPolarHBondContact CD-O 3.29Å; F278-A280 HydrophobicContact CE1-CB 4.02Å; A280-F284 HydrophobicContact CB-CD1 3.93Å; A280-F284 HydrophobicContact CB-CE1 3.89Å
281N93.8Very high85.8Confident19 Ų1948.4 Ų48.410%0.10226%0.259CS..  trans-111.120.2-177.259.9-14.4000110.1A116 F117 H118 M127 K279A116-N281 WeakPolarHBondContact O-CB 3.23Å; F117-N281 CarbonylContact C-O 3Å; F117-N281 VanDerWaalsContact CA-O 3.26Å; F117-N281 WeakPolarHBondContact CA-O 3.16Å; F117-N281 VanDerWaalsContact CD2-C 3.48Å; H118-N281 PolarHBondContact N-O 3.25Å; M127-N281 HydrophobicContact CE-CB 4.03Å; K279-N281 VanDerWaalsContact C-N 3.27Å; K279-N281 WeakPolarHBondContact CE-ND2 3.25Å; K279-N281 HydrophobicContact CG-CB 4.08Å; K279-N281 PolarHBondContact O-N 3.03Å; K279-N281 PolarHBondContact O-OD1 3.44Å
282H94.3Very high87.8Confident46 Ų4649.5 Ų49.521%0.21325%0.25CC..SBendtrans-148.40169.354.5-79.6000109.4F117 H118 L162 P163 F284F117-H282 WeakPolarHBondContact CZ-O 3.38Å; H118-H282 HydrophobicContact CB-CB 4.39Å; H118-H282 WeakPolarHBondContact O-CB 3.3Å; L162-H282 VanDerWaalsContact CD1-NE2 3.28Å; L162-H282 WeakPolarHBondContact CD1-NE2 3.28Å; P163-H282 PolarHBondContact O-CE1 3.45Å; P163-H282 PolarHBondContact O-NE2 3.14Å; H282-F284 WeakPolarHBondContact O-CD1 3.42Å; H282-F284 PolarHBondContact O-N 2.95Å
283P95.9Very high89.6Confident24 Ų2444.8 Ų44.816%0.15623%0.226CC..  0139.10-31.641.3000111.9F117 H118 Q119 P163 L169 L302F117-P283 HydrophobicContact CE1-CG 4.23Å; F117-P283 HydrophobicContact CZ-CG 4.49Å; H118-P283 WeakPolarHBondContact O-CD 3.29Å; Q119-P283 HydrophobicContact CB-CG 4.31Å; Q119-P283 HydrophobicContact CG-CG 4.05Å; P163-P283 WeakPolarHBondContact CD-O 3.42Å; L169-P283 HydrophobicContact CD2-CB 3.68Å; P283-L302 WeakPolarHBondContact CA-O 3.22Å
284F97.3Very high91.3Very high0 Ų042 Ų420%021%0.206CC..EExtended strand (participates in β ladder)trans-148.1163.6179.554.4-94.2000109F117 I160 L161 L162 L199 P200 F202 A280 H282 F286 L302F117-F284 HydrophobicContact CE2-CE1 4.26Å; I160-F284 HydrophobicContact CG2-CB 4.07Å; I160-F284 HydrophobicContact CG2-CD2 3.58Å; I160-F284 HydrophobicContact CG2-CE2 4.22Å; I160-F284 HydrophobicContact CG2-CG 3.95Å; L161-F284 WeakPolarHBondContact O-CB 3.2Å; L162-F284 HydrophobicContact CD1-CB 3.74Å; L162-F284 HydrophobicContact CD1-CD1 4.41Å; L162-F284 HydrophobicContact CD1-CG 4.48Å; L199-F284 HydrophobicContact CD1-CE2 4.49Å; L199-F284 HydrophobicContact CD1-CZ 3.99Å; P200-F284 HydrophobicContact CG-CE1 4Å; P200-F284 HydrophobicContact CG-CZ 4.2Å; F202-F284 HydrophobicContact CE1-CZ 4.29Å; A280-F284 HydrophobicContact CB-CD1 3.93Å; A280-F284 HydrophobicContact CB-CE1 3.89Å; H282-F284 WeakPolarHBondContact O-CD1 3.42Å; H282-F284 PolarHBondContact O-N 2.95Å; F284-F286 HydrophobicContact CD2-CB 4.36Å; F284-F286 HydrophobicContact CD2-CD1 4.41Å; F284-F286 HydrophobicContact CE2-CB 4.28Å; F284-F286 HydrophobicContact CE2-CD1 4.04Å; F284-L302 HydrophobicContact CD1-CD2 4.37Å; F284-L302 HydrophobicContact CD2-CB 4.33Å; F284-L302 HydrophobicContact CE1-CB 4.03Å; F284-L302 HydrophobicContact CE1-CD2 3.23Å; F284-L302 HydrophobicContact CE1-CG 4.16Å; F284-L302 HydrophobicContact CE2-CB 3.85Å; F284-L302 HydrophobicContact CE2-CD2 3.93Å; F284-L302 HydrophobicContact CZ-CB 3.69Å; F284-L302 HydrophobicContact CZ-CD2 2.96Å; F284-L302 HydrophobicContact CZ-CG 3.95Å; F284-L302 PolarHBondContact N-O 2.77Å; F284-L302 PolarHBondContact O-N 3.07Å
285L98.2Very high92.4Very high0 Ų032.3 Ų32.30%016%0.158CC..EExtended strand (participates in β ladder)trans-99.9148.4171.6-58.7-179.6000110.1F16 I160 L161 L169 I172 E173 L176 F287 G300 K301F16-L285 HydrophobicContact CE1-CD1 4.41Å; F16-L285 HydrophobicContact CE1-CD2 4.36Å; F16-L285 HydrophobicContact CE2-CD2 3.88Å; F16-L285 HydrophobicContact CZ-CD1 4.2Å; F16-L285 HydrophobicContact CZ-CD2 3.38Å; F16-L285 HydrophobicContact CZ-CG 4.44Å; I160-L285 CarbonylContact C-O 3.53Å; I160-L285 WeakPolarHBondContact CA-O 3.27Å; L161-L285 HydrophobicContact CB-CB 4.19Å; L161-L285 HydrophobicContact CD1-CB 3.98Å; L161-L285 HydrophobicContact CD1-CD1 4.43Å; L161-L285 PolarHBondContact N-O 3.39Å; L161-L285 PolarHBondContact O-N 2.88Å; L161-L285 VanDerWaalsContact O-N 3.13Å; L169-L285 HydrophobicContact CD1-CD1 4.47Å; L169-L285 HydrophobicContact CD1-CD2 4.19Å; L169-L285 HydrophobicContact CD1-CG 3.71Å; L169-L285 HydrophobicContact CD2-CD2 4.45Å; I172-L285 HydrophobicContact CG2-CD1 4.03Å; E173-L285 HydrophobicContact CG-CD1 4.3Å; L176-L285 HydrophobicContact CD2-CD1 3.79Å; L285-F287 HydrophobicContact CB-CE2 4.1Å; L285-G300 WeakPolarHBondContact CA-O 3.28Å; L285-K301 HydrophobicContact CD2-CB 3.69Å; L285-K301 HydrophobicContact CD2-CD 4.34Å; L285-K301 HydrophobicContact CD2-CG 3.89Å
286F97.4Very high93.1Very high0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-142.4151.3176.364.8-86.3000109.1F29 M158 I159 I160 F202 L204 L250 F284 G300 L302F29-F286 AromaticContact CD2-CE2 3.97Å; F29-F286 HydrophobicContact CD2-CE2 3.97Å; F29-F286 AromaticContact CD2-CZ 3.69Å; F29-F286 HydrophobicContact CD2-CZ 3.69Å; F29-F286 AromaticContact CE2-CE2 3.9Å; F29-F286 HydrophobicContact CE2-CE2 3.9Å; F29-F286 HydrophobicContact CE2-CZ 4.07Å; M158-F286 HydrophobicContact CG-CB 4.45Å; I159-F286 CarbonylContact O-C 3.53Å; I159-F286 WeakPolarHBondContact O-CA 3.16Å; I159-F286 WeakPolarHBondContact O-CB 3.22Å; I160-F286 HydrophobicContact CG1-CB 4.28Å; F202-F286 HydrophobicContact CE2-CE1 4.41Å; F202-F286 HydrophobicContact CE2-CZ 4.34Å; L204-F286 HydrophobicContact CD1-CE1 3.92Å; L204-F286 HydrophobicContact CD1-CZ 3.67Å; L250-F286 HydrophobicContact CD2-CE2 3.54Å; L250-F286 HydrophobicContact CD2-CZ 3.76Å; F284-F286 HydrophobicContact CD2-CB 4.36Å; F284-F286 HydrophobicContact CD2-CD1 4.41Å; F284-F286 HydrophobicContact CE2-CB 4.28Å; F284-F286 HydrophobicContact CE2-CD1 4.04Å; F286-G300 WeakPolarHBondContact CD1-O 3.3Å; F286-G300 VanDerWaalsContact CE1-C 3.45Å; F286-G300 VanDerWaalsContact CE1-CA 3.48Å; F286-G300 PolarHBondContact N-O 3.29Å; F286-G300 PolarHBondContact O-N 3.13Å; F286-L302 HydrophobicContact CE1-CB 4.44Å
287F97.3Very high93.2Very high0 Ų027.6 Ų27.60%014%0.136CC..EExtended strand (participates in β ladder)trans-136137.9178.9-57.3-96.4000109.6L13 M158 I159 L161 L176 F181 L285 I296 F298 C299L13-F287 HydrophobicContact CD2-CE1 4.19Å; L13-F287 HydrophobicContact CD2-CZ 4.4Å; M158-F287 CarbonylContact C-O 3.58Å; M158-F287 VanDerWaalsContact CA-O 3.22Å; M158-F287 WeakPolarHBondContact CA-O 3.4Å; I159-F287 HydrophobicContact CB-CB 4.39Å; I159-F287 PolarHBondContact N-O 2.8Å; I159-F287 PolarHBondContact O-N 3.21Å; L161-F287 HydrophobicContact CD1-CD2 3.74Å; L161-F287 HydrophobicContact CD1-CE2 3.05Å; L161-F287 HydrophobicContact CD1-CZ 4.07Å; L161-F287 HydrophobicContact CG-CE2 4.47Å; L176-F287 HydrophobicContact CD2-CZ 4.03Å; F181-F287 HydrophobicContact CD2-CE2 4.27Å; F181-F287 HydrophobicContact CD2-CZ 4.39Å; F181-F287 HydrophobicContact CE2-CB 4.47Å; F181-F287 HydrophobicContact CE2-CD1 4.13Å; F181-F287 AromaticContact CE2-CD2 3.53Å; F181-F287 HydrophobicContact CE2-CD2 3.53Å; F181-F287 HydrophobicContact CE2-CE1 4.22Å; F181-F287 AromaticContact CE2-CE2 3.63Å; F181-F287 HydrophobicContact CE2-CE2 3.63Å; F181-F287 AromaticContact CE2-CG 3.79Å; F181-F287 HydrophobicContact CE2-CG 3.79Å; F181-F287 AromaticContact CE2-CZ 3.99Å; F181-F287 HydrophobicContact CE2-CZ 3.99Å; F181-F287 HydrophobicContact CZ-CB 4.23Å; F181-F287 HydrophobicContact CZ-CD1 4.29Å; F181-F287 HydrophobicContact CZ-CD2 4.14Å; F181-F287 AromaticContact CZ-CG 3.98Å; F181-F287 HydrophobicContact CZ-CG 3.98Å; L285-F287 HydrophobicContact CB-CE2 4.1Å; F287-I296 HydrophobicContact CD1-CD1 3.97Å; F287-I296 HydrophobicContact CD1-CG2 4.29Å; F287-I296 HydrophobicContact CE1-CD1 4.46Å; F287-F298 VanDerWaalsContact CA-O 3.32Å; F287-F298 WeakPolarHBondContact CA-O 3.36Å; F287-C299 HydrophobicContact CD1-CB 4.05Å; F287-C299 HydrophobicContact CE1-CB 4.15Å; F287-C299 WeakPolarHBondContact CE1-SG 3.33Å
288I93.5Very high93.2Very high0 Ų024.1 Ų24.10%012%0.119CC..EExtended strand (participates in β ladder)trans-108.2123.9171.8-61.5174.7000107.9Y151 S157 M158 L250 I296 L297 F298Y151-I288 HydrophobicContact CE2-CG1 4.44Å; Y151-I288 HydrophobicContact CE2-CG2 4.08Å; S157-I288 CarbonylContact O-C 3.57Å; S157-I288 VanDerWaalsContact O-CA 3.28Å; S157-I288 WeakPolarHBondContact O-CA 3.42Å; M158-I288 HydrophobicContact CE-CD1 4.22Å; M158-I288 HydrophobicContact CE-CG1 4.22Å; L250-I288 HydrophobicContact CD1-CD1 4.04Å; I288-I296 CarbonylContact O-C 3.44Å; I288-L297 HydrophobicContact CG2-CB 4.47Å; I288-L297 WeakPolarHBondContact O-CA 3.48Å; I288-L297 WeakPolarHBondContact O-CB 3.4Å; I288-L297 PolarHBondContact O-N 3.04Å; I288-F298 HydrophobicContact CB-CB 4.02Å; I288-F298 HydrophobicContact CB-CD2 4.2Å; I288-F298 HydrophobicContact CD1-CB 4.04Å; I288-F298 HydrophobicContact CD1-CD2 4.05Å; I288-F298 HydrophobicContact CD1-CG 4.35Å; I288-F298 HydrophobicContact CG1-CB 4.23Å; I288-F298 HydrophobicContact CG2-CD2 4.46Å; I288-F298 PolarHBondContact N-O 3.1Å; I288-F298 PolarHBondContact O-N 2.84Å; I288-F298 VanDerWaalsContact O-N 3.12Å
289R92.1Very high93.2Very high13 Ų1324.1 Ų24.15%0.04912%0.119CC..EExtended strand (participates in β ladder)trans-134.8156.4-172.970.8175.7-179.9-173.1-3.2109.8E148 L156 S157 I159 T185 T295E148-R289 IonicContact OE1-NH2 3.63Å; E148-R289 IonicContact OE2-NH2 3.15Å; E148-R289 PolarHBondContact OE2-NH2 3.06Å; L156-R289 CarbonylContact C-O 3.59Å; L156-R289 VanDerWaalsContact CA-O 3.24Å; L156-R289 WeakPolarHBondContact CA-O 3.35Å; S157-R289 PolarHBondContact N-O 3.26Å; S157-R289 PolarHBondContact O-N 3.25Å; S157-R289 WeakPolarHBondContact OG-CG 3.48Å; I159-R289 HydrophobicContact CD1-CG 4.09Å; T185-R289 PolarHBondContact OG1-NH1 3.03Å; R289-T295 CarbonylContact C-O 3.58Å; R289-T295 WeakPolarHBondContact CA-O 3.17Å; R289-T295 VanDerWaalsContact CB-O 3.24Å; R289-T295 WeakPolarHBondContact CB-O 3.16Å
290H89.9Confident93.2Very high11 Ų1120.3 Ų20.35%0.05110%0.103CC..EExtended strand (participates in β ladder)trans-80.9121.3171.6-175.2-123.8000109.6K155 L156 H292 T293 N294 T295 L297K155-H290 WeakPolarHBondContact O-CA 3.37Å; K155-H290 PolarHBondContact O-CD2 2.86Å; L156-H290 HydrophobicContact CD2-CB 4.1Å; H290-H292 VanDerWaalsContact CE1-CB 3.47Å; H290-H292 WeakPolarHBondContact CE1-CB 3.38Å; H290-H292 PolarHBondContact O-N 3.21Å; H290-T293 PolarHBondContact ND1-N 3.31Å; H290-T293 PolarHBondContact ND1-OG1 2.6Å; H290-T293 PolarHBondContact O-N 3.42Å; H290-N294 WeakPolarHBondContact O-CA 3.46Å; H290-N294 PolarHBondContact O-N 2.33Å; H290-T295 PolarHBondContact N-O 3.05Å; H290-L297 HydrophobicContact CB-CD1 3.91Å
291T87.4Confident93.2Very high47 Ų4720.6 Ų20.629%0.28810%0.104SC..THydrogen-bonded Turntrans-69.5-28.7-164.850.20000109.6N154 K155 S157N154-T291 PolarHBondContact O-OG1 3.46Å; K155-T291 PolarHBondContact O-N 3.27Å; K155-T291 PolarHBondContact O-OG1 2.82Å; K155-T291 VanDerWaalsContact O-OG1 3.08Å; S157-T291 WeakPolarHBondContact OG-CG2 3.39Å
292H85.6Confident93.3Very high145 Ų14519.7 Ų19.767%0.67110%0.099SC*.THydrogen-bonded Turntrans-80.5-39.3-174.9-175.169.5000111.1H290H290-H292 VanDerWaalsContact CE1-CB 3.47Å; H290-H292 WeakPolarHBondContact CE1-CB 3.38Å; H290-H292 PolarHBondContact O-N 3.21Å
293T86.4Confident93.2Very high27 Ų2717.7 Ų17.717%0.1669%0.09CC..THydrogen-bonded Turntrans-102.2-8.5-174.955.80000109.7S5 H290 T295S5-T293 WeakPolarHBondContact CB-O 3.34Å; S5-T293 PolarHBondContact OG-O 2.84Å; H290-T293 PolarHBondContact ND1-N 3.31Å; H290-T293 PolarHBondContact ND1-OG1 2.6Å; H290-T293 PolarHBondContact O-N 3.42Å; T293-T295 PolarHBondContact O-N 3.46Å; T293-T295 WeakPolarHBondContact OG1-CB 3.39Å; T293-T295 PolarHBondContact OG1-N 3.16Å; T293-T295 PolarHBondContact OG1-OG1 2.74Å
294N89.3Confident92.8Very high37 Ų3718.2 Ų18.220%0.19810%0.095CC..  trans63.323.3-176.6-73-43.2000112.1M1 H290M1-N294 HydrophobicContact CE-CB 3.01Å; M1-N294 WeakPolarHBondContact CE-ND2 3.39Å; M1-N294 HydrophobicContact CG-CB 3.94Å; M1-N294 WeakPolarHBondContact CG-ND2 3.32Å; M1-N294 HydrophobicContact SD-CB 4.02Å; H290-N294 WeakPolarHBondContact O-CA 3.46Å; H290-N294 PolarHBondContact O-N 2.33Å
295T90.9Very high92Very high1 Ų120.5 Ų20.51%0.00611%0.11CC..  trans-77.6133.3176.9-64.70000110.1N8 L33 E90 R289 H290 T293 L297N8-T295 HydrophobicContact CB-CG2 4.3Å; L33-T295 HydrophobicContact CD1-CG2 3.91Å; L33-T295 HydrophobicContact CD2-CG2 4.4Å; E90-T295 WeakPolarHBondContact OE1-CB 3.35Å; E90-T295 WeakPolarHBondContact OE1-CG2 3.32Å; E90-T295 PolarHBondContact OE1-OG1 3.38Å; R289-T295 CarbonylContact C-O 3.58Å; R289-T295 WeakPolarHBondContact CA-O 3.17Å; R289-T295 VanDerWaalsContact CB-O 3.24Å; R289-T295 WeakPolarHBondContact CB-O 3.16Å; H290-T295 PolarHBondContact N-O 3.05Å; T293-T295 PolarHBondContact O-N 3.46Å; T293-T295 WeakPolarHBondContact OG1-CB 3.39Å; T293-T295 PolarHBondContact OG1-N 3.16Å; T293-T295 PolarHBondContact OG1-OG1 2.74Å; T295-L297 WeakPolarHBondContact O-CD1 3.23Å; T295-L297 PolarHBondContact O-N 3.42Å
296I94.8Very high91.7Very high0 Ų021.5 Ų21.50%012%0.115CC..EExtended strand (participates in β ladder)trans-85123178.5-68.2176.1000109.4N8 V9 C12 F181 F287 I288 F298 C299N8-I296 WeakPolarHBondContact OD1-CA 3.48Å; N8-I296 VanDerWaalsContact OD1-CB 3.23Å; N8-I296 WeakPolarHBondContact OD1-CB 3.28Å; N8-I296 PolarHBondContact OD1-N 2.98Å; N8-I296 PolarHBondContact OD1-O 3.39Å; V9-I296 HydrophobicContact CB-CD1 4.33Å; V9-I296 HydrophobicContact CG1-CD1 4.25Å; V9-I296 HydrophobicContact CG2-CD1 3.89Å; V9-I296 HydrophobicContact CG2-CG1 4.1Å; C12-I296 HydrophobicContact CB-CD1 4.24Å; F181-I296 HydrophobicContact CE1-CD1 3.98Å; F181-I296 HydrophobicContact CE1-CG1 4.46Å; F181-I296 HydrophobicContact CZ-CD1 4.07Å; F287-I296 HydrophobicContact CD1-CD1 3.97Å; F287-I296 HydrophobicContact CD1-CG2 4.29Å; F287-I296 HydrophobicContact CE1-CD1 4.46Å; I288-I296 CarbonylContact O-C 3.44Å; I296-F298 WeakPolarHBondContact CG2-O 3.27Å; I296-C299 HydrophobicContact CG2-CB 4.46Å
297L91.8Very high91.4Very high16 Ų1622.6 Ų22.68%0.08412%0.121CC..EExtended strand (participates in β ladder)trans-90-44.2177.5-81.169.1000110.6S31 S32 L33 L156 I288 H290 T295S31-L297 VanDerWaalsContact CA-O 3.29Å; S31-L297 WeakPolarHBondContact CA-O 3.27Å; S31-L297 PolarHBondContact OG-O 3.42Å; S32-L297 PolarHBondContact N-O 2.92Å; S32-L297 VanDerWaalsContact N-O 3.16Å; L33-L297 HydrophobicContact CD2-CG 4.28Å; L156-L297 HydrophobicContact CD1-CD2 4.38Å; L156-L297 HydrophobicContact CD2-CD1 4.26Å; L156-L297 HydrophobicContact CD2-CD2 3.83Å; I288-L297 HydrophobicContact CG2-CB 4.47Å; I288-L297 WeakPolarHBondContact O-CA 3.48Å; I288-L297 WeakPolarHBondContact O-CB 3.4Å; I288-L297 PolarHBondContact O-N 3.04Å; H290-L297 HydrophobicContact CB-CD1 3.91Å; T295-L297 WeakPolarHBondContact O-CD1 3.23Å; T295-L297 PolarHBondContact O-N 3.42Å
298F93.6Very high91.1Very high40 Ų4023.9 Ų23.918%0.17513%0.128CC..EExtended strand (participates in β ladder)trans-135146.6-178.8-68.8-85.4000109.1F29 L103 F287 I288 I296F29-F298 HydrophobicContact CE1-CD1 4.2Å; F29-F298 HydrophobicContact CE2-CB 3.68Å; F29-F298 AromaticContact CE2-CD1 3.76Å; F29-F298 HydrophobicContact CE2-CD1 3.76Å; F29-F298 HydrophobicContact CE2-CG 4.02Å; F29-F298 HydrophobicContact CZ-CB 4.13Å; F29-F298 AromaticContact CZ-CD1 3.36Å; F29-F298 HydrophobicContact CZ-CD1 3.36Å; F29-F298 AromaticContact CZ-CE1 3.98Å; F29-F298 HydrophobicContact CZ-CE1 3.98Å; F29-F298 AromaticContact CZ-CG 3.93Å; F29-F298 HydrophobicContact CZ-CG 3.93Å; L103-F298 HydrophobicContact CD1-CE2 4.25Å; F287-F298 VanDerWaalsContact CA-O 3.32Å; F287-F298 WeakPolarHBondContact CA-O 3.36Å; I288-F298 HydrophobicContact CB-CB 4.02Å; I288-F298 HydrophobicContact CB-CD2 4.2Å; I288-F298 HydrophobicContact CD1-CB 4.04Å; I288-F298 HydrophobicContact CD1-CD2 4.05Å; I288-F298 HydrophobicContact CD1-CG 4.35Å; I288-F298 HydrophobicContact CG1-CB 4.23Å; I288-F298 HydrophobicContact CG2-CD2 4.46Å; I288-F298 PolarHBondContact N-O 3.1Å; I288-F298 PolarHBondContact O-N 2.84Å; I288-F298 VanDerWaalsContact O-N 3.12Å; I296-F298 WeakPolarHBondContact CG2-O 3.27Å
299C96.8Very high90.9Very high0 Ų025.3 Ų25.30%014%0.135CC..EExtended strand (participates in β ladder)trans-131.40176.3175.60000109.7C12 F29 F30 F287 I296C12-C299 WeakPolarHBondContact SG-CB 3.32Å; F29-C299 WeakPolarHBondContact CA-O 3.28Å; F30-C299 HydrophobicContact CE1-CB 3.89Å; F30-C299 HydrophobicContact CE2-CB 4.42Å; F30-C299 HydrophobicContact CZ-CB 3.84Å; F30-C299 PolarHBondContact N-O 2.72Å; F30-C299 PolarHBondContact O-N 2.79Å; F287-C299 HydrophobicContact CD1-CB 4.05Å; F287-C299 HydrophobicContact CE1-CB 4.15Å; F287-C299 WeakPolarHBondContact CE1-SG 3.33Å; I296-C299 HydrophobicContact CG2-CB 4.46Å
300G95.6Very high90.9Very high0 Ų026.1 Ų26.10%014%0.141CC..EExtended strand (participates in β ladder)0155.3000000110.6I28 L285 F286I28-G300 CarbonylContact O-C 3.45Å; I28-G300 WeakPolarHBondContact O-CA 3.39Å; L285-G300 WeakPolarHBondContact CA-O 3.28Å; F286-G300 WeakPolarHBondContact CD1-O 3.3Å; F286-G300 VanDerWaalsContact CE1-C 3.45Å; F286-G300 VanDerWaalsContact CE1-CA 3.48Å; F286-G300 PolarHBondContact N-O 3.29Å; F286-G300 PolarHBondContact O-N 3.13Å
301K96.6Very high90.9Very high7 Ų727.1 Ų27.13%0.0315%0.147CC..EExtended strand (participates in β ladder)trans-118121.2166.8175.4177.773.6170.40110.6F16 N20 D26 N27 I28 L169 E173 L285F16-K301 HydrophobicContact CE2-CB 4.04Å; F16-K301 HydrophobicContact CZ-CB 4.43Å; N20-K301 PolarHBondContact OD1-NZ 3.17Å; D26-K301 WeakPolarHBondContact O-CE 3.45Å; D26-K301 PolarHBondContact O-NZ 2.8Å; N27-K301 CarbonylContact C-O 3.57Å; N27-K301 WeakPolarHBondContact CA-O 3.39Å; I28-K301 HydrophobicContact CB-CB 4Å; I28-K301 HydrophobicContact CG1-CB 4.46Å; I28-K301 PolarHBondContact N-O 2.82Å; I28-K301 PolarHBondContact O-N 2.99Å; L169-K301 HydrophobicContact CD2-CD 3.88Å; L169-K301 HydrophobicContact CD2-CG 3.91Å; E173-K301 WeakPolarHBondContact OE1-CD 3.35Å; L285-K301 HydrophobicContact CD2-CB 3.69Å; L285-K301 HydrophobicContact CD2-CD 4.34Å; L285-K301 HydrophobicContact CD2-CG 3.89Å
302L94.8Very high91.2Very high0 Ų025.6 Ų25.60%014%0.137CC..EExtended strand (participates in β ladder)trans-100.7103.3174.5-173.269.8000110.2P200 F202 L204 P283 F284 F286 P305P200-L302 HydrophobicContact CG-CD2 3.75Å; F202-L302 HydrophobicContact CB-CD1 4.15Å; F202-L302 HydrophobicContact CD1-CD2 3.72Å; F202-L302 HydrophobicContact CD2-CD1 3.83Å; F202-L302 HydrophobicContact CD2-CD2 4.44Å; F202-L302 HydrophobicContact CE1-CD2 3.97Å; F202-L302 HydrophobicContact CE2-CD1 4.35Å; F202-L302 HydrophobicContact CG-CD1 3.93Å; F202-L302 HydrophobicContact CG-CD2 3.99Å; F202-L302 HydrophobicContact CZ-CD2 4.42Å; L204-L302 HydrophobicContact CD1-CD1 4.38Å; L204-L302 HydrophobicContact CD2-CD1 4.11Å; P283-L302 WeakPolarHBondContact CA-O 3.22Å; F284-L302 HydrophobicContact CD1-CD2 4.37Å; F284-L302 HydrophobicContact CD2-CB 4.33Å; F284-L302 HydrophobicContact CE1-CB 4.03Å; F284-L302 HydrophobicContact CE1-CD2 3.23Å; F284-L302 HydrophobicContact CE1-CG 4.16Å; F284-L302 HydrophobicContact CE2-CB 3.85Å; F284-L302 HydrophobicContact CE2-CD2 3.93Å; F284-L302 HydrophobicContact CZ-CB 3.69Å; F284-L302 HydrophobicContact CZ-CD2 2.96Å; F284-L302 HydrophobicContact CZ-CG 3.95Å; F284-L302 PolarHBondContact N-O 2.77Å; F284-L302 PolarHBondContact O-N 3.07Å; F286-L302 HydrophobicContact CE1-CB 4.44Å; L302-P305 HydrophobicContact CD2-CB 4.44Å; L302-P305 HydrophobicContact CD2-CG 4.16Å
303A92.7Very high91.6Very high3 Ų316.5 Ų16.53%0.02510%0.095CC..SBendtrans-85.8-3717700000111.2G25 N27 F117 Q119G25-A303 WeakPolarHBondContact O-CB 3.09Å; N27-A303 WeakPolarHBondContact OD1-CA 3.38Å; N27-A303 WeakPolarHBondContact OD1-CB 3.41Å; N27-A303 PolarHBondContact OD1-N 2.86Å; F117-A303 WeakPolarHBondContact CE1-O 2.96Å; Q119-A303 VanDerWaalsContact CD-C 3.45Å; Q119-A303 PolarHBondContact NE2-O 3.3Å; Q119-A303 PolarHBondContact OE1-O 3.36Å
304S87.6Confident92Very high36 Ų3615.6 Ų15.625%0.2529%0.09SC..  trans-149.90175.5179.60000109.4N27N27-S304 PolarHBondContact ND2-O 2.84Å; N27-S304 PolarHBondContact OD1-N 2.89Å; N27-S304 PolarHBondContact OD1-O 3.2Å
305P80Confident92.3Very high47 Ų4713.6 Ų13.631%0.3058%0.08SC..  000-14.323.6000112.2F117 V125 P200 F202 L302F117-P305 HydrophobicContact CD1-CG 4.44Å; F117-P305 HydrophobicContact CD2-CG 3.72Å; F117-P305 HydrophobicContact CE2-CG 3.93Å; F117-P305 HydrophobicContact CG-CG 4.01Å; F117-P305 HydrophobicContact CZ-CG 4.36Å; V125-P305 HydrophobicContact CB-CG 4.4Å; V125-P305 HydrophobicContact CG1-CB 4.16Å; V125-P305 HydrophobicContact CG1-CG 3.86Å; P200-P305 HydrophobicContact CB-CB 4.02Å; P200-P305 HydrophobicContact CB-CG 3.83Å; P200-P305 HydrophobicContact CG-CG 4.12Å; F202-P305 HydrophobicContact CB-CB 3.79Å; F202-P305 WeakPolarHBondContact CB-OXT 3.38Å; L302-P305 HydrophobicContact CD2-CB 4.44Å; L302-P305 HydrophobicContact CD2-CG 4.16Å

Retrieved 305 of 305 residues in 100.9 ms (Link to these results)

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