A0A077Z2U5_TRITR Loading...

Eukaryotic peptide chain release factor subunit 1

Directs the termination of nascent peptide synthesis (translation) in response to the termination codons UAA, UAG and UGA.

AlphaFold DB , UniProt , Accession A0A077Z2U5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 434 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
1M33Very low66.7Low237 Ų23787.3 Ų87.3100%1.16743%0.432SS*.  0111.90-74.3175.4-121.300105.5E3M1-E3 PolarHBondContact O-N 2.62Å; M1-E3 VanDerWaalsContact O-N 3.09Å
2E38.6Very low67.9Low200 Ų20082.1 Ų82.194%0.93541%0.407SS*.  trans-63.1110.6170.3-74.8179.3148.300106.6S4E2-S4 PolarHBondContact O-N 3.01Å
3E57.2Low69.1Low115 Ų11578.1 Ų78.154%0.53738%0.384SS..  trans-55.6125.1171.3-72.1178.6157.100108.3M1 D7M1-E3 PolarHBondContact O-N 2.62Å; M1-E3 VanDerWaalsContact O-N 3.09Å; E3-D7 HydrophobicContact CB-CB 4.48Å
4S67.8Low70.2Confident57 Ų5776.3 Ų76.340%0.39937%0.373SS..  trans-58.9150.3178.51800000109.6E2 A6 D7 R8E2-S4 PolarHBondContact O-N 3.01Å; S4-A6 PolarHBondContact O-N 2.98Å; S4-A6 VanDerWaalsContact O-N 3.13Å; S4-A6 PolarHBondContact OG-N 3.19Å; S4-D7 PolarHBondContact N-OD2 3.37Å; S4-D7 WeakPolarHBondContact O-CB 3.38Å; S4-D7 PolarHBondContact O-N 3.36Å; S4-R8 PolarHBondContact O-N 3.37Å; S4-R8 VanDerWaalsContact O-N 3.17Å
5S70.3Confident71.2Confident66 Ų6671.8 Ų71.846%0.46235%0.351SS..Hα-helixtrans-53.6-32.6172.551.30000112R8 N9S5-R8 PolarHBondContact O-N 3.49Å; S5-N9 VanDerWaalsContact O-CG 3.3Å; S5-N9 PolarHBondContact O-N 3.09Å; S5-N9 VanDerWaalsContact O-N 3.14Å; S5-N9 PolarHBondContact O-ND2 3.12Å
6A71.4Confident72Confident3 Ų373.1 Ų73.13%0.02536%0.355CS..Hα-helixtrans-61.7-47.7173.800000112.1S4 R8 N9 V10 E388S4-A6 PolarHBondContact O-N 2.98Å; S4-A6 VanDerWaalsContact O-N 3.13Å; S4-A6 PolarHBondContact OG-N 3.19Å; A6-R8 VanDerWaalsContact C-N 3.29Å; A6-R8 PolarHBondContact O-N 3.43Å; A6-N9 WeakPolarHBondContact O-CA 3.44Å; A6-N9 WeakPolarHBondContact O-CB 3.49Å; A6-N9 PolarHBondContact O-N 3.27Å; A6-V10 PolarHBondContact O-N 3.49Å; A6-E388 WeakPolarHBondContact CB-OE1 3.47Å
7D77.6Confident72.8Confident34 Ų3473.1 Ų73.118%0.18235%0.353CS..Hα-helixtrans-61.4-39.6179-66.9-32000111.3E3 S4 N9 V10 E11 Y380E3-D7 HydrophobicContact CB-CB 4.48Å; S4-D7 PolarHBondContact N-OD2 3.37Å; S4-D7 WeakPolarHBondContact O-CB 3.38Å; S4-D7 PolarHBondContact O-N 3.36Å; D7-N9 VanDerWaalsContact C-N 3.28Å; D7-N9 PolarHBondContact O-N 3.18Å; D7-V10 PolarHBondContact O-N 3.07Å; D7-E11 PolarHBondContact O-N 3.24Å; D7-Y380 WeakPolarHBondContact OD1-CE2 3.49Å; D7-Y380 PolarHBondContact OD1-OH 2.94Å
8R77.5Confident73.6Confident146 Ų14670.8 Ų70.855%0.55134%0.342SS*.Hα-helixtrans-62.5-36174.3-66.2-178.4178.6169.83.3112.1S4 S5 A6 E11 M12S4-R8 PolarHBondContact O-N 3.37Å; S4-R8 VanDerWaalsContact O-N 3.17Å; S5-R8 PolarHBondContact O-N 3.49Å; A6-R8 VanDerWaalsContact C-N 3.29Å; A6-R8 PolarHBondContact O-N 3.43Å; R8-E11 PolarHBondContact O-N 3.43Å; R8-M12 WeakPolarHBondContact O-CB 3.29Å; R8-M12 WeakPolarHBondContact O-CE 3.45Å; R8-M12 WeakPolarHBondContact O-CG 3.43Å; R8-M12 PolarHBondContact O-N 3.29Å
9N77.8Confident74.4Confident33 Ų3367.6 Ų67.618%0.17633%0.327CS..Hα-helixtrans-66.5-41.2176.5-68.1-26.8000111.6S5 A6 D7 M12 W13 K277S5-N9 VanDerWaalsContact O-CG 3.3Å; S5-N9 PolarHBondContact O-N 3.09Å; S5-N9 VanDerWaalsContact O-N 3.14Å; S5-N9 PolarHBondContact O-ND2 3.12Å; A6-N9 WeakPolarHBondContact O-CA 3.44Å; A6-N9 WeakPolarHBondContact O-CB 3.49Å; A6-N9 PolarHBondContact O-N 3.27Å; D7-N9 VanDerWaalsContact C-N 3.28Å; D7-N9 PolarHBondContact O-N 3.18Å; N9-M12 HydrophobicContact CB-CE 4.4Å; N9-M12 PolarHBondContact O-N 3.25Å; N9-M12 WeakPolarHBondContact OD1-CE 3.43Å; N9-W13 PolarHBondContact O-N 3.37Å; N9-K277 WeakPolarHBondContact OD1-CE 3.27Å
10V81.7Confident75.1Confident1 Ų170.9 Ų70.91%0.00634%0.339CS..Hα-helixtrans-61.6-45.5175177.80000111A6 D7 W13 K14 A377 Y380 L387 I389A6-V10 PolarHBondContact O-N 3.49Å; D7-V10 PolarHBondContact O-N 3.07Å; V10-W13 WeakPolarHBondContact O-CB 3.43Å; V10-W13 PolarHBondContact O-N 3.12Å; V10-K14 WeakPolarHBondContact O-CG 3.19Å; V10-K14 PolarHBondContact O-N 3.43Å; V10-A377 HydrophobicContact CG1-CB 3.78Å; V10-Y380 HydrophobicContact CG1-CE1 4.34Å; V10-L387 HydrophobicContact CG1-CD2 4.25Å; V10-L387 HydrophobicContact CG2-CB 4.2Å; V10-L387 HydrophobicContact CG2-CD2 3.91Å; V10-L387 HydrophobicContact CG2-CG 4.07Å; V10-I389 HydrophobicContact CG2-CD1 4.3Å
11E80.9Confident75.7Confident68 Ų6870.1 Ų70.132%0.31834%0.342SS..Hα-helixtrans-65.5-39176.9-69.3-56.3133.700112.4D7 R8 W13 K14 I15D7-E11 PolarHBondContact O-N 3.24Å; R8-E11 PolarHBondContact O-N 3.43Å; E11-W13 VanDerWaalsContact C-N 3.31Å; E11-W13 PolarHBondContact O-N 3.02Å; E11-K14 PolarHBondContact O-N 2.83Å; E11-K14 IonicContact OE1-NZ 3.17Å; E11-K14 PolarHBondContact OE1-NZ 2.97Å; E11-I15 WeakPolarHBondContact O-CG1 3.33Å; E11-I15 PolarHBondContact O-N 3.47Å
12M81.2Confident78.4Confident25 Ų2559 Ų5912%0.12329%0.287CS..Hα-helixtrans-60.9-39.6171.7-78.9-173.1-71.500112.1R8 N9 I15 K16 F115 K277R8-M12 WeakPolarHBondContact O-CB 3.29Å; R8-M12 WeakPolarHBondContact O-CE 3.45Å; R8-M12 WeakPolarHBondContact O-CG 3.43Å; R8-M12 PolarHBondContact O-N 3.29Å; N9-M12 HydrophobicContact CB-CE 4.4Å; N9-M12 PolarHBondContact O-N 3.25Å; N9-M12 WeakPolarHBondContact OD1-CE 3.43Å; M12-I15 PolarHBondContact O-N 3.01Å; M12-K16 WeakPolarHBondContact O-CG 3.47Å; M12-K16 PolarHBondContact O-N 3.12Å; M12-F115 HydrophobicContact CG-CD2 4.1Å; M12-F115 HydrophobicContact CG-CE1 4.38Å; M12-F115 HydrophobicContact CG-CE2 3.76Å; M12-F115 HydrophobicContact CG-CZ 3.92Å; M12-F115 HydrophobicContact SD-CE2 4.05Å; M12-F115 HydrophobicContact SD-CZ 4.41Å; M12-K277 VanDerWaalsContact CE-CE 3.43Å; M12-K277 VanDerWaalsContact CE-NZ 3.34Å; M12-K277 PolarHBondContact SD-NZ 3.02Å
13W84Confident80.8Confident30 Ų3052.8 Ų52.811%0.11426%0.258CS..Hα-helixtrans-66.4-44.3176.4176.891000111.7N9 V10 E11 I15 K16 K17 L373 A377 I389N9-W13 PolarHBondContact O-N 3.37Å; V10-W13 WeakPolarHBondContact O-CB 3.43Å; V10-W13 PolarHBondContact O-N 3.12Å; E11-W13 VanDerWaalsContact C-N 3.31Å; E11-W13 PolarHBondContact O-N 3.02Å; W13-I15 VanDerWaalsContact C-N 3.28Å; W13-I15 PolarHBondContact O-N 3.2Å; W13-K16 WeakPolarHBondContact O-CB 3.42Å; W13-K16 PolarHBondContact O-N 3.43Å; W13-K17 HydrophobicContact CH2-CD 3.6Å; W13-K17 HydrophobicContact CZ2-CD 3.84Å; W13-K17 HydrophobicContact CZ3-CD 4.23Å; W13-K17 PolarHBondContact O-N 2.95Å; W13-L373 HydrophobicContact CD2-CD2 4.46Å; W13-L373 HydrophobicContact CH2-CB 4.15Å; W13-L373 HydrophobicContact CH2-CD2 3.84Å; W13-L373 HydrophobicContact CH2-CG 3.65Å; W13-L373 HydrophobicContact CZ2-CB 4.28Å; W13-L373 HydrophobicContact CZ2-CD2 3.2Å; W13-L373 HydrophobicContact CZ2-CG 3.6Å; W13-L373 HydrophobicContact CZ3-CG 4.28Å; W13-A377 HydrophobicContact CZ3-CB 4.21Å; W13-I389 HydrophobicContact CB-CD1 3.64Å; W13-I389 HydrophobicContact CD2-CD1 3.77Å; W13-I389 HydrophobicContact CE3-CD1 4.09Å; W13-I389 HydrophobicContact CG-CD1 3.55Å; W13-I389 HydrophobicContact CG-CG2 4.47Å
14K83.9Confident82.3Confident53 Ų5353.8 Ų53.823%0.2326%0.264CS..Hα-helixtrans-55.9-44.7174.4-72.7178.3-175168.20111.4V10 E11 K17 L18 A377 N378V10-K14 WeakPolarHBondContact O-CG 3.19Å; V10-K14 PolarHBondContact O-N 3.43Å; E11-K14 PolarHBondContact O-N 2.83Å; E11-K14 IonicContact OE1-NZ 3.17Å; E11-K14 PolarHBondContact OE1-NZ 2.97Å; K14-K17 PolarHBondContact O-N 2.88Å; K14-L18 WeakPolarHBondContact O-CB 3.48Å; K14-L18 PolarHBondContact O-N 3.44Å; K14-A377 WeakPolarHBondContact CE-O 3.49Å; K14-A377 PolarHBondContact NZ-O 3.26Å; K14-A377 VanDerWaalsContact NZ-O 3.12Å; K14-N378 WeakPolarHBondContact CE-OD1 3.32Å; K14-N378 PolarHBondContact NZ-OD1 3.01Å
15I85.1Confident83.2Confident9 Ų951.7 Ų51.75%0.04625%0.25CS..Hα-helixtrans-67.2-41.3178.6-70.4171.3000111.5E11 M12 W13 K17 L18 I19 F112 F115 L138E11-I15 WeakPolarHBondContact O-CG1 3.33Å; E11-I15 PolarHBondContact O-N 3.47Å; M12-I15 PolarHBondContact O-N 3.01Å; W13-I15 VanDerWaalsContact C-N 3.28Å; W13-I15 PolarHBondContact O-N 3.2Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.13Å; I15-L18 PolarHBondContact O-N 2.91Å; I15-I19 HydrophobicContact CG2-CD1 3.81Å; I15-I19 HydrophobicContact CG2-CG1 4.32Å; I15-I19 VanDerWaalsContact O-CG1 3.24Å; I15-I19 WeakPolarHBondContact O-CG1 3.19Å; I15-I19 PolarHBondContact O-N 3.31Å; I15-F112 HydrophobicContact CD1-CE2 4.18Å; I15-F112 HydrophobicContact CG1-CE2 4.18Å; I15-F115 HydrophobicContact CD1-CB 4.49Å; I15-F115 HydrophobicContact CD1-CD1 3.35Å; I15-F115 HydrophobicContact CD1-CE1 3.95Å; I15-F115 HydrophobicContact CD1-CG 4.32Å; I15-L138 HydrophobicContact CG2-CD2 4.47Å
16K84.9Confident83.9Confident93 Ų9355.1 Ų55.140%0.40425%0.253SS..Hα-helixtrans-58.1-46.1173.2-81177.6177.6-175.50111.8M12 W13 L18 I19 K20 L138M12-K16 WeakPolarHBondContact O-CG 3.47Å; M12-K16 PolarHBondContact O-N 3.12Å; W13-K16 WeakPolarHBondContact O-CB 3.42Å; W13-K16 PolarHBondContact O-N 3.43Å; K16-L18 VanDerWaalsContact C-N 3.34Å; K16-I19 PolarHBondContact O-N 3.43Å; K16-K20 PolarHBondContact O-N 3.42Å; K16-L138 HydrophobicContact CB-CD1 4.46Å; K16-L138 HydrophobicContact CG-CD1 3.45Å; K16-L138 VanDerWaalsContact CG-CD1 3.45Å; K16-L138 HydrophobicContact CG-CD2 3.9Å; K16-L138 HydrophobicContact CG-CG 4.31Å
17K85Confident84.4Confident73 Ų7355.5 Ų55.532%0.31726%0.257SS..Hα-helixtrans-63-42177.6-169.8177.6-176.3-172.40111.4W13 K14 I15 K20 S21 E374W13-K17 HydrophobicContact CH2-CD 3.6Å; W13-K17 HydrophobicContact CZ2-CD 3.84Å; W13-K17 HydrophobicContact CZ3-CD 4.23Å; W13-K17 PolarHBondContact O-N 2.95Å; K14-K17 PolarHBondContact O-N 2.88Å; I15-K17 VanDerWaalsContact C-N 3.34Å; I15-K17 PolarHBondContact O-N 3.13Å; K17-K20 PolarHBondContact O-N 2.9Å; K17-S21 PolarHBondContact O-N 2.83Å; K17-E374 IonicContact NZ-OE2 4Å; K17-E374 PolarHBondContact NZ-OE2 3.22Å
18L87.3Confident84.5Confident32 Ų3259.2 Ų59.217%0.16828%0.277CS..Hα-helixtrans-63.5-44176179.163.2000112.2K14 I15 K16 K20 S21 L22 I110 F112K14-L18 WeakPolarHBondContact O-CB 3.48Å; K14-L18 PolarHBondContact O-N 3.44Å; I15-L18 PolarHBondContact O-N 2.91Å; K16-L18 VanDerWaalsContact C-N 3.34Å; L18-K20 VanDerWaalsContact C-N 3.31Å; L18-K20 PolarHBondContact O-N 2.86Å; L18-S21 PolarHBondContact O-N 3.18Å; L18-S21 PolarHBondContact O-OG 3.41Å; L18-L22 HydrophobicContact CD1-CD1 4.08Å; L18-L22 HydrophobicContact CD1-CG 4.1Å; L18-L22 HydrophobicContact CD2-CD1 4.46Å; L18-L22 HydrophobicContact CG-CD1 3.83Å; L18-L22 HydrophobicContact CG-CG 4.3Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 2.67Å; L18-I110 HydrophobicContact CD1-CD1 3.58Å; L18-I110 HydrophobicContact CD1-CG2 4.14Å; L18-I110 HydrophobicContact CD2-CG2 4.13Å; L18-F112 HydrophobicContact CD2-CD1 3.92Å; L18-F112 HydrophobicContact CD2-CE1 3.46Å; L18-F112 VanDerWaalsContact CD2-CE1 3.46Å; L18-F112 HydrophobicContact CD2-CZ 3.86Å
19I89.3Confident84.4Confident9 Ų954.3 Ų54.35%0.04627%0.271CS..Hα-helixtrans-60.1-45.2176.4-71165.5000110.3I15 K16 S21 L22 E23 T131 L134 Q135 L138I15-I19 HydrophobicContact CG2-CD1 3.81Å; I15-I19 HydrophobicContact CG2-CG1 4.32Å; I15-I19 VanDerWaalsContact O-CG1 3.24Å; I15-I19 WeakPolarHBondContact O-CG1 3.19Å; I15-I19 PolarHBondContact O-N 3.31Å; K16-I19 PolarHBondContact O-N 3.43Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 2.96Å; I19-L22 PolarHBondContact O-N 3.25Å; I19-E23 HydrophobicContact CG2-CG 4.41Å; I19-E23 WeakPolarHBondContact CG2-OE1 3.37Å; I19-E23 WeakPolarHBondContact O-CB 3.42Å; I19-E23 WeakPolarHBondContact O-CG 3.31Å; I19-E23 PolarHBondContact O-N 3.28Å; I19-T131 HydrophobicContact CG2-CG2 4.42Å; I19-L134 HydrophobicContact CD1-CB 3.57Å; I19-L134 HydrophobicContact CD1-CD1 4.44Å; I19-L134 HydrophobicContact CG1-CB 3.87Å; I19-L134 HydrophobicContact CG1-CD1 3.92Å; I19-Q135 HydrophobicContact CG2-CG 4.16Å; I19-L138 HydrophobicContact CD1-CD1 3.36Å; I19-L138 HydrophobicContact CD1-CG 4.3Å
20K88Confident84.6Confident133 Ų13355.2 Ų55.258%0.57828%0.279SS*.Hα-helixtrans-59.6-43.1177.3-168.9178.8-178.8-177.60111.5K16 K17 L18 E23 M24K16-K20 PolarHBondContact O-N 3.42Å; K17-K20 PolarHBondContact O-N 2.9Å; L18-K20 VanDerWaalsContact C-N 3.31Å; L18-K20 PolarHBondContact O-N 2.86Å; K20-E23 PolarHBondContact O-N 2.83Å; K20-M24 HydrophobicContact CG-CE 4.33Å; K20-M24 WeakPolarHBondContact O-CG 3.37Å; K20-M24 PolarHBondContact O-N 3.22Å
21S87.1Confident84.7Confident56 Ų5655.2 Ų55.239%0.39228%0.278SS..Hα-helixtrans-68.7-38.217870.30000112.8K17 L18 I19 A25K17-S21 PolarHBondContact O-N 2.83Å; L18-S21 PolarHBondContact O-N 3.18Å; L18-S21 PolarHBondContact O-OG 3.41Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 2.96Å; S21-A25 PolarHBondContact O-N 2.95Å; S21-A25 VanDerWaalsContact O-N 3.15Å
22L89.9Confident85.1Confident3 Ų352 Ų522%0.01626%0.263CS..Hα-helixtrans-67.4-34.9176-70.3169.9000112.8L18 I19 A25 Y94 I110 F129 T131L18-L22 HydrophobicContact CD1-CD1 4.08Å; L18-L22 HydrophobicContact CD1-CG 4.1Å; L18-L22 HydrophobicContact CD2-CD1 4.46Å; L18-L22 HydrophobicContact CG-CD1 3.83Å; L18-L22 HydrophobicContact CG-CG 4.3Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 2.67Å; I19-L22 PolarHBondContact O-N 3.25Å; L22-A25 WeakPolarHBondContact O-CB 3.47Å; L22-A25 PolarHBondContact O-N 3.36Å; L22-Y94 HydrophobicContact CD1-CD1 4.48Å; L22-Y94 HydrophobicContact CD1-CD2 3.44Å; L22-Y94 VanDerWaalsContact CD1-CD2 3.44Å; L22-Y94 HydrophobicContact CD1-CE1 4.44Å; L22-Y94 HydrophobicContact CD1-CE2 3.39Å; L22-Y94 HydrophobicContact CD1-CG 4.01Å; L22-Y94 HydrophobicContact CD2-CD2 4.13Å; L22-Y94 HydrophobicContact CD2-CG 3.97Å; L22-Y94 HydrophobicContact CG-CD2 4.47Å; L22-I110 HydrophobicContact CD2-CD1 4.25Å; L22-F129 HydrophobicContact CB-CB 4.32Å; L22-F129 HydrophobicContact CB-CD2 4.14Å; L22-F129 HydrophobicContact CD2-CD2 3.34Å; L22-F129 HydrophobicContact CD2-CE2 3.56Å; L22-F129 HydrophobicContact CD2-CG 4.06Å; L22-F129 HydrophobicContact CD2-CZ 4.45Å; L22-F129 HydrophobicContact CG-CD2 4.34Å; L22-T131 HydrophobicContact CB-CG2 3.79Å; L22-T131 HydrophobicContact CD1-CG2 4.17Å
23E89.3Confident85.7Confident69 Ų6950.8 Ų50.832%0.32226%0.257SS..Hα-helixtrans-73.2-36.3178.5-79.7172.6-162.100113.1I19 K20 A25 R26 T131 Q135I19-E23 HydrophobicContact CG2-CG 4.41Å; I19-E23 WeakPolarHBondContact CG2-OE1 3.37Å; I19-E23 WeakPolarHBondContact O-CB 3.42Å; I19-E23 WeakPolarHBondContact O-CG 3.31Å; I19-E23 PolarHBondContact O-N 3.28Å; K20-E23 PolarHBondContact O-N 2.83Å; E23-A25 VanDerWaalsContact C-N 3.3Å; E23-R26 PolarHBondContact O-NH1 3.4Å; E23-T131 HydrophobicContact CG-CG2 4.21Å; E23-T131 WeakPolarHBondContact CG-OG1 3.42Å; E23-T131 PolarHBondContact OE1-OG1 2.98Å; E23-Q135 PolarHBondContact OE1-NE2 2.97Å
24M87.7Confident86.3Confident137 Ų13749.3 Ų49.368%0.67525%0.252SS*.Hα-helixtrans-70.3-28.6174.3-69.6-173.2-55.900111.9K20 R26K20-M24 HydrophobicContact CG-CE 4.33Å; K20-M24 WeakPolarHBondContact O-CG 3.37Å; K20-M24 PolarHBondContact O-N 3.22Å; M24-R26 PolarHBondContact O-N 3.24Å
25A87.7Confident86.8Confident13 Ų1346.9 Ų46.911%0.10724%0.241CC..  trans-62.2130.217600000112S21 L22 E23 M32 I98 F129S21-A25 PolarHBondContact O-N 2.95Å; S21-A25 VanDerWaalsContact O-N 3.15Å; L22-A25 WeakPolarHBondContact O-CB 3.47Å; L22-A25 PolarHBondContact O-N 3.36Å; E23-A25 VanDerWaalsContact C-N 3.3Å; A25-M32 HydrophobicContact CB-CE 4.42Å; A25-I98 HydrophobicContact CB-CG2 3.76Å; A25-F129 HydrophobicContact CB-CD2 4.3Å; A25-F129 HydrophobicContact CB-CE2 4.45Å
26R85.4Confident87.2Confident138 Ų13846.5 Ų46.552%0.52124%0.239SC..  trans-128.1130.5173.4-70-70.8-178.2-95.6-2109.4E23 M24 V99E23-R26 PolarHBondContact O-NH1 3.4Å; M24-R26 PolarHBondContact O-N 3.24Å; R26-V99 PolarHBondContact O-N 3.39Å
27G81.5Confident87.6Confident10 Ų1042.1 Ų42.110%0.10322%0.22CC..BIsolated β-bridgetrans-95.9150.8176.500000111.6G29 N127G27-G29 PolarHBondContact O-N 3.48Å; G27-N127 PolarHBondContact N-O 3.34Å
28N78.9Confident87.8Confident113 Ų11339.8 Ų39.860%0.60421%0.212SC*.SBendtrans-79.3106165.8-76-11.5000108.7S31 V99N28-S31 PolarHBondContact O-OG 3.31Å; N28-V99 HydrophobicContact CB-CG2 4.32Å; N28-V99 VanDerWaalsContact CG-CG2 3.46Å; N28-V99 VanDerWaalsContact ND2-CG2 3.31Å; N28-V99 WeakPolarHBondContact ND2-CG2 3.36Å
29G76.1Confident87.8Confident42 Ų4239.6 Ų39.643%0.43321%0.213SC..SBendtrans78.2-161.1178.900000114.1G27 S31 N127G27-G29 PolarHBondContact O-N 3.48Å; G29-S31 VanDerWaalsContact C-N 3.35Å; G29-S31 PolarHBondContact O-N 2.99Å; G29-S31 VanDerWaalsContact O-N 3.12Å; G29-N127 WeakPolarHBondContact O-CA 3.49Å; G29-N127 VanDerWaalsContact O-CB 3.26Å; G29-N127 WeakPolarHBondContact O-CB 3.12Å
30T81.3Confident87.6Confident53 Ų5348.5 Ų48.533%0.32525%0.252SS..SBendtrans-87.868.8-175.152.90000110.6N65 V69 C125T30-N65 PolarHBondContact OG1-ND2 3.26Å; T30-N65 VanDerWaalsContact OG1-ND2 3.16Å; T30-N65 PolarHBondContact OG1-OD1 3.36Å; T30-V69 WeakPolarHBondContact O-CG2 3.47Å; T30-C125 PolarHBondContact O-SG 2.93Å; T30-C125 VanDerWaalsContact O-SG 3.41Å
31S83.8Confident87.6Confident0 Ų043.3 Ų43.30%023%0.23CC..  trans-121.85.1-175.359.20000114N28 G29 A72 G96 T97 D126N28-S31 PolarHBondContact O-OG 3.31Å; G29-S31 VanDerWaalsContact C-N 3.35Å; G29-S31 PolarHBondContact O-N 2.99Å; G29-S31 VanDerWaalsContact O-N 3.12Å; S31-A72 WeakPolarHBondContact O-CB 2.94Å; S31-G96 WeakPolarHBondContact O-CA 3.48Å; S31-T97 WeakPolarHBondContact CB-OG1 3.33Å; S31-T97 PolarHBondContact OG-OG1 3.35Å; S31-T97 VanDerWaalsContact OG-OG1 3.14Å; S31-D126 PolarHBondContact N-O 3.2Å
32M90.7Very high87.8Confident0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-107.3116.8-176.3-52.1-66.4-81.800109.2A25 I98 C125 D126 F129A25-M32 HydrophobicContact CB-CE 4.42Å; M32-I98 HydrophobicContact CE-CG2 3.36Å; M32-I98 HydrophobicContact SD-CG2 3.94Å; M32-C125 CarbonylContact O-C 3.35Å; M32-C125 VanDerWaalsContact O-CA 3.3Å; M32-C125 WeakPolarHBondContact O-CA 3.4Å; M32-D126 VanDerWaalsContact CB-O 3.23Å; M32-D126 WeakPolarHBondContact CB-O 3.48Å; M32-D126 PolarHBondContact N-O 2.88Å; M32-D126 PolarHBondContact O-N 2.93Å; M32-F129 HydrophobicContact CB-CD1 3.98Å; M32-F129 HydrophobicContact CB-CE1 3.94Å; M32-F129 HydrophobicContact CE-CD1 3.93Å; M32-F129 HydrophobicContact CE-CD2 3.4Å; M32-F129 HydrophobicContact CE-CE1 3.6Å; M32-F129 HydrophobicContact CE-CE2 3.05Å; M32-F129 HydrophobicContact CE-CG 3.86Å; M32-F129 HydrophobicContact CE-CZ 3.16Å; M32-F129 HydrophobicContact SD-CE1 4.26Å; M32-F129 HydrophobicContact SD-CE2 4.45Å; M32-F129 HydrophobicContact SD-CZ 4.04Å
33I93.8Very high87.9Confident0 Ų047.8 Ų47.80%025%0.245CC..EExtended strand (participates in β ladder)trans-104.6123.1177.6-58.5176.7000108.9L35 A72 I73 V76 Y94 C95 Y123 L124 C125I33-L35 HydrophobicContact CG2-CB 4.49Å; I33-A72 HydrophobicContact CD1-CB 3.64Å; I33-A72 HydrophobicContact CG1-CB 4.01Å; I33-I73 HydrophobicContact CD1-CB 4.32Å; I33-I73 HydrophobicContact CD1-CG1 3.62Å; I33-V76 HydrophobicContact CB-CG2 4.07Å; I33-V76 HydrophobicContact CD1-CG2 4.01Å; I33-V76 HydrophobicContact CG2-CG2 3.93Å; I33-Y94 WeakPolarHBondContact O-CA 3.35Å; I33-C95 PolarHBondContact N-O 2.91Å; I33-C95 PolarHBondContact O-N 3.31Å; I33-Y123 HydrophobicContact CG2-CD2 4.14Å; I33-Y123 HydrophobicContact CG2-CE2 3.8Å; I33-L124 WeakPolarHBondContact CA-O 3.35Å; I33-C125 HydrophobicContact CG1-CB 4.49Å
34S94.8Very high88.1Confident0 Ų049 Ų490%026%0.259CS..EExtended strand (participates in β ladder)trans-106.1116.6166.7-64.60000108.2Y94 L122 Y123 L124 H130S34-Y94 WeakPolarHBondContact OG-CD1 3.48Å; S34-Y94 VanDerWaalsContact OG-CE1 3.32Å; S34-Y94 WeakPolarHBondContact OG-CE1 3.02Å; S34-L122 WeakPolarHBondContact O-CD2 3.46Å; S34-Y123 WeakPolarHBondContact O-CA 3.36Å; S34-L124 PolarHBondContact N-O 3.34Å; S34-L124 PolarHBondContact O-N 3.34Å; S34-H130 PolarHBondContact OG-N 2.93Å
35L94.8Very high88.4Confident2 Ų248.9 Ų48.91%0.0125%0.251CS..EExtended strand (participates in β ladder)trans-123.8121.9178.417567000109.7I33 I46 M49 L50 V76 I93 L122 Y123I33-L35 HydrophobicContact CG2-CB 4.49Å; L35-I46 HydrophobicContact CD1-CG2 3.92Å; L35-I46 HydrophobicContact CD2-CG2 3.8Å; L35-I46 HydrophobicContact CG-CG2 4.46Å; L35-M49 HydrophobicContact CD1-CE 4.37Å; L35-L50 HydrophobicContact CD2-CD1 4.42Å; L35-V76 HydrophobicContact CD2-CG1 3.59Å; L35-I93 HydrophobicContact CB-CB 4.29Å; L35-I93 HydrophobicContact CD2-CB 4.5Å; L35-I93 HydrophobicContact CD2-CD1 4.08Å; L35-I93 PolarHBondContact N-O 3.48Å; L35-I93 PolarHBondContact O-N 3.4Å; L35-L122 CarbonylContact C-O 3.58Å; L35-L122 WeakPolarHBondContact CA-O 3.24Å; L35-Y123 HydrophobicContact CD1-CD2 4.15Å
36I94.2Very high88.6Confident0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-126.2123.9177.6-55.6-179.5000108.3V92 I118 T120 S121 L122 A133I36-V92 HydrophobicContact CG1-CG1 4.35Å; I36-V92 HydrophobicContact CG1-CG2 4.42Å; I36-V92 HydrophobicContact CG2-CG2 4.28Å; I36-I118 HydrophobicContact CG2-CB 4.42Å; I36-I118 HydrophobicContact CG2-CD1 4.12Å; I36-I118 HydrophobicContact CG2-CG2 3.76Å; I36-T120 WeakPolarHBondContact CG2-O 3.45Å; I36-S121 WeakPolarHBondContact O-CA 3.4Å; I36-L122 HydrophobicContact CB-CB 4.08Å; I36-L122 HydrophobicContact CD1-CB 4.28Å; I36-L122 HydrophobicContact CG1-CB 4.28Å; I36-L122 PolarHBondContact N-O 3.46Å; I36-L122 PolarHBondContact O-N 3.01Å; I36-A133 HydrophobicContact CD1-CB 3.48Å; I36-A133 VanDerWaalsContact CD1-CB 3.48Å
37M92.6Very high89Confident1 Ų144.4 Ų44.41%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-110.7123.4177.9-62.9179.26800109.8D41 I43 I46 L80 V86 G90 L91M37-D41 HydrophobicContact CE-CB 4.45Å; M37-I43 HydrophobicContact CE-CG1 4.04Å; M37-I46 HydrophobicContact CE-CB 3.99Å; M37-I46 HydrophobicContact CE-CG1 3.5Å; M37-I46 VanDerWaalsContact CE-CG1 3.5Å; M37-I46 HydrophobicContact CG-CG1 4.08Å; M37-I46 HydrophobicContact SD-CB 4.22Å; M37-I46 HydrophobicContact SD-CG1 3.95Å; M37-I46 HydrophobicContact SD-CG2 4.2Å; M37-L80 HydrophobicContact SD-CD1 3.83Å; M37-V86 HydrophobicContact CB-CG1 4.32Å; M37-V86 HydrophobicContact CB-CG2 4.46Å; M37-V86 HydrophobicContact CE-CG2 3.26Å; M37-V86 HydrophobicContact SD-CG2 4.27Å; M37-G90 CarbonylContact O-C 3.53Å; M37-G90 WeakPolarHBondContact O-CA 3.31Å; M37-L91 HydrophobicContact CB-CB 4.21Å; M37-L91 PolarHBondContact N-O 3.06Å; M37-L91 PolarHBondContact O-N 3.21Å; M37-L91 HydrophobicContact SD-CD2 4.18Å
38P90.6Very high89.7Confident24 Ų2450.7 Ų50.716%0.15626%0.264CS..  trans-70.6160175.930-33.8000111.1D41 I118P38-D41 HydrophobicContact CG-CB 4.2Å; P38-D41 WeakPolarHBondContact O-CB 3.29Å; P38-D41 PolarHBondContact O-N 3.33Å; P38-I118 WeakPolarHBondContact CA-O 3.2Å; P38-I118 VanDerWaalsContact CB-O 3.25Å; P38-I118 WeakPolarHBondContact CB-O 3.4Å
39P86.8Confident90.4Very high28 Ų2847.4 Ų47.418%0.18225%0.246CC..THydrogen-bonded Turntrans-61.2146.9176.331.1-37.8000109.8D41 T88 P117 I118P39-D41 PolarHBondContact O-N 3.39Å; P39-T88 WeakPolarHBondContact CB-O 3.28Å; P39-P117 HydrophobicContact CG-CB 4.24Å; P39-I118 WeakPolarHBondContact CD-O 3.39Å
40K85Confident91.3Very high197 Ų19745.4 Ų45.486%0.85723%0.225SC*.THydrogen-bonded Turntrans73.1-2.6-175.8-46.7172.7-179.1175.20115.9
41D88.4Confident91.9Very high24 Ų2445.3 Ų45.313%0.12823%0.229CC..  trans-66.9160.9170-159.74.3000111.1M37 P38 P39 R45 V86M37-D41 HydrophobicContact CE-CB 4.45Å; P38-D41 HydrophobicContact CG-CB 4.2Å; P38-D41 WeakPolarHBondContact O-CB 3.29Å; P38-D41 PolarHBondContact O-N 3.33Å; P39-D41 PolarHBondContact O-N 3.39Å; D41-R45 IonicContact OD1-CZ 3.53Å; D41-R45 IonicContact OD1-NE 2.83Å; D41-R45 PolarHBondContact OD1-NE 2.9Å; D41-R45 IonicContact OD1-NH2 3.13Å; D41-R45 PolarHBondContact OD1-NH2 2.94Å; D41-R45 IonicContact OD2-CZ 3.54Å; D41-R45 IonicContact OD2-NE 3.54Å; D41-R45 IonicContact OD2-NH2 3.44Å; D41-R45 PolarHBondContact OD2-NH2 2.95Å; D41-V86 HydrophobicContact CB-CG2 4.41Å; D41-V86 WeakPolarHBondContact O-CG2 3.44Å
42Q90.9Very high92.4Very high133 Ų13349.8 Ų49.862%0.62125%0.253SS*.  trans-105.8123.8-176.6-63.6-176.44.700110.6P44 R45Q42-P44 VanDerWaalsContact C-CD 3.5Å; Q42-P44 VanDerWaalsContact C-N 3.34Å; Q42-R45 HydrophobicContact CB-CB 4.41Å; Q42-R45 VanDerWaalsContact O-CB 3.3Å; Q42-R45 WeakPolarHBondContact O-CB 3.35Å; Q42-R45 PolarHBondContact O-N 3.37Å
43I92.2Very high92.5Very high20 Ų2053.3 Ų53.310%0.10327%0.27CS..Hα-helixtrans-53.1-43.5176.7-69.5-179000113M37 R45 I46 S47 L80 Y83 K85 V86M37-I43 HydrophobicContact CE-CG1 4.04Å; I43-R45 VanDerWaalsContact C-N 3.26Å; I43-R45 PolarHBondContact O-N 3.37Å; I43-I46 PolarHBondContact O-N 3.46Å; I43-S47 WeakPolarHBondContact O-CB 3.25Å; I43-S47 PolarHBondContact O-N 2.93Å; I43-L80 HydrophobicContact CG1-CD1 4.23Å; I43-L80 HydrophobicContact CG2-CD1 3.9Å; I43-L80 HydrophobicContact CG2-CD2 4.13Å; I43-L80 HydrophobicContact CG2-CG 3.74Å; I43-Y83 WeakPolarHBondContact CD1-O 3.16Å; I43-K85 VanDerWaalsContact CD1-C 3.43Å; I43-V86 HydrophobicContact CG1-CG2 3.81Å
44P92.9Very high92.6Very high93 Ų9357.7 Ų57.760%0.60429%0.287SS*.Hα-helixtrans-58.9-33177.6-27.836.2000114.4Q42 S47 K48Q42-P44 VanDerWaalsContact C-CD 3.5Å; Q42-P44 VanDerWaalsContact C-N 3.34Å; P44-S47 PolarHBondContact O-N 3.19Å; P44-K48 WeakPolarHBondContact O-CB 3.21Å; P44-K48 PolarHBondContact O-N 3.46Å
45R93.2Very high92.5Very high135 Ų13559.3 Ų59.351%0.50930%0.304SS..Hα-helixtrans-61.7-47.6177.3-173.5-176.880.197.10.1110.7D41 Q42 I43 K48 M49D41-R45 IonicContact OD1-CZ 3.53Å; D41-R45 IonicContact OD1-NE 2.83Å; D41-R45 PolarHBondContact OD1-NE 2.9Å; D41-R45 IonicContact OD1-NH2 3.13Å; D41-R45 PolarHBondContact OD1-NH2 2.94Å; D41-R45 IonicContact OD2-CZ 3.54Å; D41-R45 IonicContact OD2-NE 3.54Å; D41-R45 IonicContact OD2-NH2 3.44Å; D41-R45 PolarHBondContact OD2-NH2 2.95Å; Q42-R45 HydrophobicContact CB-CB 4.41Å; Q42-R45 VanDerWaalsContact O-CB 3.3Å; Q42-R45 WeakPolarHBondContact O-CB 3.35Å; Q42-R45 PolarHBondContact O-N 3.37Å; I43-R45 VanDerWaalsContact C-N 3.26Å; I43-R45 PolarHBondContact O-N 3.37Å; R45-K48 PolarHBondContact O-N 2.71Å; R45-M49 PolarHBondContact O-N 3.21Å; R45-M49 VanDerWaalsContact O-N 3.13Å
46I93.3Very high92.4Very high7 Ų763.4 Ų63.44%0.03633%0.329CS..Hα-helixtrans-72.1-38.3178.6-63.3-55.6000111.3L35 M37 I43 K48 M49 L50 L80L35-I46 HydrophobicContact CD1-CG2 3.92Å; L35-I46 HydrophobicContact CD2-CG2 3.8Å; L35-I46 HydrophobicContact CG-CG2 4.46Å; M37-I46 HydrophobicContact CE-CB 3.99Å; M37-I46 HydrophobicContact CE-CG1 3.5Å; M37-I46 VanDerWaalsContact CE-CG1 3.5Å; M37-I46 HydrophobicContact CG-CG1 4.08Å; M37-I46 HydrophobicContact SD-CB 4.22Å; M37-I46 HydrophobicContact SD-CG1 3.95Å; M37-I46 HydrophobicContact SD-CG2 4.2Å; I43-I46 PolarHBondContact O-N 3.46Å; I46-K48 VanDerWaalsContact C-N 3.29Å; I46-K48 PolarHBondContact O-N 3.03Å; I46-M49 HydrophobicContact CD1-CE 4.33Å; I46-M49 HydrophobicContact CG2-CE 4.26Å; I46-M49 PolarHBondContact O-N 3.02Å; I46-L50 HydrophobicContact CG2-CD1 4.17Å; I46-L50 HydrophobicContact CG2-CG 4.35Å; I46-L50 WeakPolarHBondContact O-CG 3.11Å; I46-L50 PolarHBondContact O-N 3.15Å; I46-L80 HydrophobicContact CB-CD2 4.34Å; I46-L80 HydrophobicContact CG2-CD2 3.96Å
47S93.6Very high92.3Very high50 Ų5063.7 Ų63.735%0.3533%0.331SS..Hα-helixtrans-60.6-38.9175.2-174.70000112.1I43 P44 A51I43-S47 WeakPolarHBondContact O-CB 3.25Å; I43-S47 PolarHBondContact O-N 2.93Å; P44-S47 PolarHBondContact O-N 3.19Å; S47-A51 PolarHBondContact O-N 2.83Å; S47-A51 VanDerWaalsContact O-N 3.12Å
48K95Very high92.3Very high143 Ų14366 Ų6662%0.62235%0.347SS*.Hα-helixtrans-64.4-48.1172.9-176.4-179176.3-176.90111.6P44 R45 I46 L50 A51 D52P44-K48 WeakPolarHBondContact O-CB 3.21Å; P44-K48 PolarHBondContact O-N 3.46Å; R45-K48 PolarHBondContact O-N 2.71Å; I46-K48 VanDerWaalsContact C-N 3.29Å; I46-K48 PolarHBondContact O-N 3.03Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 3.18Å; K48-A51 WeakPolarHBondContact O-CA 3.28Å; K48-A51 WeakPolarHBondContact O-CB 3.39Å; K48-A51 PolarHBondContact O-N 3.14Å; K48-D52 PolarHBondContact O-N 3.04Å
49M94.4Very high92.5Very high44 Ų4471 Ų7122%0.21737%0.373CS..Hα-helixtrans-56.7-45.1177179.7-81.7-7200111.6L35 R45 I46 A51 D52 E53 Y123L35-M49 HydrophobicContact CD1-CE 4.37Å; R45-M49 PolarHBondContact O-N 3.21Å; R45-M49 VanDerWaalsContact O-N 3.13Å; I46-M49 HydrophobicContact CD1-CE 4.33Å; I46-M49 HydrophobicContact CG2-CE 4.26Å; I46-M49 PolarHBondContact O-N 3.02Å; M49-A51 VanDerWaalsContact C-N 3.27Å; M49-A51 PolarHBondContact O-N 2.89Å; M49-D52 PolarHBondContact O-N 3.04Å; M49-E53 WeakPolarHBondContact O-CB 3.48Å; M49-E53 WeakPolarHBondContact O-CG 3.42Å; M49-E53 PolarHBondContact O-N 3.04Å; M49-E53 HydrophobicContact SD-CG 3.68Å; M49-Y123 HydrophobicContact CE-CD1 3.89Å; M49-Y123 HydrophobicContact CE-CD2 3.61Å; M49-Y123 HydrophobicContact CE-CE1 4.38Å; M49-Y123 HydrophobicContact CE-CE2 4.11Å; M49-Y123 HydrophobicContact CE-CG 3.46Å; M49-Y123 VanDerWaalsContact CE-CG 3.46Å; M49-Y123 HydrophobicContact SD-CD1 3.74Å; M49-Y123 HydrophobicContact SD-CD2 4.2Å; M49-Y123 HydrophobicContact SD-CE1 3.77Å; M49-Y123 HydrophobicContact SD-CE2 4.21Å; M49-Y123 HydrophobicContact SD-CG 3.95Å
50L94.4Very high92.6Very high0 Ų071.9 Ų71.90%038%0.376CS..Hα-helixtrans-63.1-31.2175.9-68.7172.3000112.8L35 I46 K48 Y54 I73 V76 Q77 L80 Y123L35-L50 HydrophobicContact CD2-CD1 4.42Å; I46-L50 HydrophobicContact CG2-CD1 4.17Å; I46-L50 HydrophobicContact CG2-CG 4.35Å; I46-L50 WeakPolarHBondContact O-CG 3.11Å; I46-L50 PolarHBondContact O-N 3.15Å; K48-L50 VanDerWaalsContact C-N 3.31Å; K48-L50 PolarHBondContact O-N 3.18Å; L50-Y54 VanDerWaalsContact O-CB 3.31Å; L50-Y54 WeakPolarHBondContact O-CB 3.48Å; L50-Y54 PolarHBondContact O-N 3.29Å; L50-I73 HydrophobicContact CB-CG2 4.33Å; L50-I73 WeakPolarHBondContact O-CG2 3.46Å; L50-V76 HydrophobicContact CD1-CB 4.36Å; L50-V76 HydrophobicContact CD1-CG1 3.59Å; L50-V76 HydrophobicContact CD2-CG1 4.17Å; L50-Q77 HydrophobicContact CB-CG 3.93Å; L50-Q77 HydrophobicContact CD1-CG 4.04Å; L50-Q77 PolarHBondContact O-NE2 3.15Å; L50-L80 HydrophobicContact CD1-CD2 3.93Å; L50-Y123 HydrophobicContact CD2-CD2 4.28Å; L50-Y123 HydrophobicContact CD2-CE2 3.62Å
51A94.9Very high92.9Very high50 Ų5072.4 Ų72.441%0.41338%0.378SS..Hα-helixtrans-71.8-39.4175.100000111.9S47 K48 M49 Y54 G55S47-A51 PolarHBondContact O-N 2.83Å; S47-A51 VanDerWaalsContact O-N 3.12Å; K48-A51 WeakPolarHBondContact O-CA 3.28Å; K48-A51 WeakPolarHBondContact O-CB 3.39Å; K48-A51 PolarHBondContact O-N 3.14Å; M49-A51 VanDerWaalsContact C-N 3.27Å; M49-A51 PolarHBondContact O-N 2.89Å; A51-Y54 WeakPolarHBondContact O-CB 3.43Å; A51-Y54 PolarHBondContact O-N 3.05Å; A51-G55 PolarHBondContact O-N 3.03Å
52D95Very high93Very high94 Ų9474.2 Ų74.250%0.50339%0.392SS..Hα-helixtrans-65.8-41.1175.1-63.8-25.3000111K48 M49 G55 T56K48-D52 PolarHBondContact O-N 3.04Å; M49-D52 PolarHBondContact O-N 3.04Å; D52-G55 PolarHBondContact O-N 3.16Å; D52-T56 PolarHBondContact O-N 3.13Å; D52-T56 PolarHBondContact O-OG1 2.93Å
53E92.6Very high93Very high74 Ų7476.6 Ų76.635%0.34640%0.396SS..Hα-helixtrans-65.1-39.5173.6-72.6-68.1144.900112.1M49 G55 T56 A57 I73 Y123M49-E53 WeakPolarHBondContact O-CB 3.48Å; M49-E53 WeakPolarHBondContact O-CG 3.42Å; M49-E53 PolarHBondContact O-N 3.04Å; M49-E53 HydrophobicContact SD-CG 3.68Å; E53-G55 VanDerWaalsContact C-N 3.33Å; E53-G55 PolarHBondContact O-N 2.95Å; E53-T56 PolarHBondContact O-N 3.41Å; E53-A57 VanDerWaalsContact O-CB 3.29Å; E53-A57 WeakPolarHBondContact O-CB 3.21Å; E53-A57 PolarHBondContact O-N 2.99Å; E53-I73 HydrophobicContact CB-CD1 4.17Å; E53-Y123 WeakPolarHBondContact CB-OH 3.39Å; E53-Y123 HydrophobicContact CG-CE1 3.67Å; E53-Y123 WeakPolarHBondContact CG-OH 3.39Å
54Y94.4Very high92.8Very high93 Ų9380.2 Ų80.237%0.36542%0.419SS..Hα-helixtrans-60.1-44172.9-169.2-86.2000111.5L50 A51 A57 S58 L70 I73 T74L50-Y54 VanDerWaalsContact O-CB 3.31Å; L50-Y54 WeakPolarHBondContact O-CB 3.48Å; L50-Y54 PolarHBondContact O-N 3.29Å; A51-Y54 WeakPolarHBondContact O-CB 3.43Å; A51-Y54 PolarHBondContact O-N 3.05Å; Y54-A57 PolarHBondContact O-N 3.32Å; Y54-S58 PolarHBondContact O-N 3.12Å; Y54-S58 VanDerWaalsContact O-N 3.12Å; Y54-L70 HydrophobicContact CD1-CD2 4.03Å; Y54-L70 HydrophobicContact CD2-CD2 3.68Å; Y54-L70 HydrophobicContact CE1-CD2 3.95Å; Y54-L70 HydrophobicContact CE2-CB 3.97Å; Y54-L70 HydrophobicContact CE2-CD2 3.6Å; Y54-L70 HydrophobicContact CE2-CG 4.34Å; Y54-L70 HydrophobicContact CG-CD2 3.9Å; Y54-L70 WeakPolarHBondContact O-CD2 3.2Å; Y54-I73 HydrophobicContact CD2-CB 4.16Å; Y54-I73 HydrophobicContact CD2-CG2 3.9Å; Y54-I73 HydrophobicContact CG-CG2 4.49Å; Y54-T74 WeakPolarHBondContact CE2-OG1 3.44Å
55G94.2Very high92.5Very high34 Ų3478 Ų7835%0.35140%0.402SS..Hα-helixtrans-61-4317500000112.4A51 D52 E53 S58A51-G55 PolarHBondContact O-N 3.03Å; D52-G55 PolarHBondContact O-N 3.16Å; E53-G55 VanDerWaalsContact C-N 3.33Å; E53-G55 PolarHBondContact O-N 2.95Å; G55-S58 WeakPolarHBondContact O-CB 3.34Å; G55-S58 PolarHBondContact O-N 3.07Å; G55-S58 PolarHBondContact O-OG 3.04Å
56T92.6Very high92.4Very high88 Ų8875.9 Ų75.954%0.5439%0.394SS..Hα-helixtrans-67-43.8177.7-56.30000111.8D52 E53 S58 N59D52-T56 PolarHBondContact O-N 3.13Å; D52-T56 PolarHBondContact O-OG1 2.93Å; E53-T56 PolarHBondContact O-N 3.41Å; T56-S58 PolarHBondContact O-N 2.8Å; T56-N59 WeakPolarHBondContact O-CB 3.38Å; T56-N59 PolarHBondContact O-N 2.94Å; T56-N59 VanDerWaalsContact O-N 3.12Å
57A91.3Very high92.2Very high6 Ų680.8 Ų80.85%0.0542%0.419CS..Hα-helixtrans-61.9-27.8177.600000112.9E53 Y54 N59 I60 R66 V69 L70 I73E53-A57 VanDerWaalsContact O-CB 3.29Å; E53-A57 WeakPolarHBondContact O-CB 3.21Å; E53-A57 PolarHBondContact O-N 2.99Å; Y54-A57 PolarHBondContact O-N 3.32Å; A57-N59 PolarHBondContact O-N 2.78Å; A57-I60 HydrophobicContact CB-CD1 4.15Å; A57-I60 WeakPolarHBondContact O-CB 3.3Å; A57-I60 VanDerWaalsContact O-CG1 3.29Å; A57-I60 WeakPolarHBondContact O-CG1 3.42Å; A57-I60 PolarHBondContact O-N 2.83Å; A57-I60 VanDerWaalsContact O-N 3.09Å; A57-R66 WeakPolarHBondContact O-CG 3.33Å; A57-V69 HydrophobicContact CB-CB 4.33Å; A57-V69 HydrophobicContact CB-CG1 3.52Å; A57-L70 HydrophobicContact CB-CD2 3.79Å; A57-L70 HydrophobicContact CB-CG 4.44Å; A57-I73 HydrophobicContact CB-CD1 4.14Å
58S93.4Very high92Very high49 Ų4979.9 Ų79.934%0.34341%0.413SS..THydrogen-bonded Turntrans-61.3-24.5176.580.30000113.5Y54 G55 T56 I60 R66Y54-S58 PolarHBondContact O-N 3.12Å; Y54-S58 VanDerWaalsContact O-N 3.12Å; G55-S58 WeakPolarHBondContact O-CB 3.34Å; G55-S58 PolarHBondContact O-N 3.07Å; G55-S58 PolarHBondContact O-OG 3.04Å; T56-S58 PolarHBondContact O-N 2.8Å; S58-I60 VanDerWaalsContact C-N 3.34Å; S58-R66 WeakPolarHBondContact O-CD 3.32Å; S58-R66 PolarHBondContact O-NH1 2.88Å
59N93.5Very high91.7Very high129 Ų12973.5 Ų73.569%0.6939%0.386SS*.THydrogen-bonded Turntrans-83.4-3.9178.4-63.5-47.2000113.9T56 A57 K61T56-N59 WeakPolarHBondContact O-CB 3.38Å; T56-N59 PolarHBondContact O-N 2.94Å; T56-N59 VanDerWaalsContact O-N 3.12Å; A57-N59 PolarHBondContact O-N 2.78Å; N59-K61 PolarHBondContact O-N 2.96Å
60I89.7Confident91.6Very high47 Ų4772.5 Ų72.524%0.24138%0.382CS..  trans-63.2124.1177.6-65.8170000109.7A57 S58 N65 R66 V69A57-I60 HydrophobicContact CB-CD1 4.15Å; A57-I60 WeakPolarHBondContact O-CB 3.3Å; A57-I60 VanDerWaalsContact O-CG1 3.29Å; A57-I60 WeakPolarHBondContact O-CG1 3.42Å; A57-I60 PolarHBondContact O-N 2.83Å; A57-I60 VanDerWaalsContact O-N 3.09Å; S58-I60 VanDerWaalsContact C-N 3.34Å; I60-N65 HydrophobicContact CG2-CB 4.25Å; I60-R66 HydrophobicContact CB-CB 3.95Å; I60-R66 HydrophobicContact CB-CG 4.37Å; I60-R66 HydrophobicContact CG2-CB 4.08Å; I60-R66 WeakPolarHBondContact O-CD 3.39Å; I60-V69 HydrophobicContact CD1-CB 4.28Å; I60-V69 HydrophobicContact CD1-CG1 4.41Å; I60-V69 HydrophobicContact CD1-CG2 3.99Å
61K91.3Very high91.5Very high207 Ų20774 Ų7490%0.940%0.396SS*.SBendtrans-67.9-36.2-176.1-63.5-177.6-179.1178.60113.5N59 R63N59-K61 PolarHBondContact O-N 2.96Å; K61-R63 PolarHBondContact O-N 2.82Å
62S90Very high91.4Very high63 Ų6371.9 Ų71.944%0.44138%0.379SS..  trans-73.4115.7179.6175.80000110.1V64 N65 R66S62-V64 VanDerWaalsContact C-N 3.3Å; S62-V64 PolarHBondContact O-N 2.85Å; S62-N65 PolarHBondContact O-N 2.81Å; S62-R66 WeakPolarHBondContact O-CB 3.36Å; S62-R66 PolarHBondContact O-N 2.91Å
63R90.3Very high91.3Very high182 Ų18267.4 Ų67.469%0.68736%0.355SS*.Hα-helixtrans-55.4-44.8-179.5-175.3-179.173.1178.71.6112.1K61 L67K61-R63 PolarHBondContact O-N 2.82Å; R63-L67 HydrophobicContact CG-CD1 4.1Å; R63-L67 VanDerWaalsContact O-CG 3.28Å; R63-L67 WeakPolarHBondContact O-CG 3.4Å; R63-L67 PolarHBondContact O-N 3.09Å
64V88.9Confident91.3Very high97 Ų9767 Ų6759%0.58836%0.358SS*.Hα-helixtrans-66.1-53-177.7-178.50000110S62 R66 L67 S68S62-V64 VanDerWaalsContact C-N 3.3Å; S62-V64 PolarHBondContact O-N 2.85Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 2.96Å; V64-L67 PolarHBondContact O-N 3.32Å; V64-S68 PolarHBondContact O-N 2.82Å; V64-S68 PolarHBondContact O-OG 3.23Å; V64-S68 VanDerWaalsContact O-OG 3.13Å
65N86.6Confident91.2Very high46 Ų4663.9 Ų63.925%0.24635%0.349CS..Hα-helixtrans-62.6-40.3-179.3-164.425.2000111.9T30 I60 S62 L67 S68 V69T30-N65 PolarHBondContact OG1-ND2 3.26Å; T30-N65 VanDerWaalsContact OG1-ND2 3.16Å; T30-N65 PolarHBondContact OG1-OD1 3.36Å; I60-N65 HydrophobicContact CG2-CB 4.25Å; S62-N65 PolarHBondContact O-N 2.81Å; N65-L67 PolarHBondContact O-N 3.05Å; N65-S68 PolarHBondContact O-N 3.02Å; N65-V69 VanDerWaalsContact O-CG2 3.25Å; N65-V69 WeakPolarHBondContact O-CG2 3.16Å; N65-V69 PolarHBondContact O-N 3.04Å
66R90.2Very high91.2Very high90 Ų9062.2 Ų62.234%0.3433%0.333SS..Hα-helixtrans-58.3-49175.7-178.6172.862.6-174.51.2111.8A57 S58 I60 S62 V64 S68 V69 L70A57-R66 WeakPolarHBondContact O-CG 3.33Å; S58-R66 WeakPolarHBondContact O-CD 3.32Å; S58-R66 PolarHBondContact O-NH1 2.88Å; I60-R66 HydrophobicContact CB-CB 3.95Å; I60-R66 HydrophobicContact CB-CG 4.37Å; I60-R66 HydrophobicContact CG2-CB 4.08Å; I60-R66 WeakPolarHBondContact O-CD 3.39Å; S62-R66 WeakPolarHBondContact O-CB 3.36Å; S62-R66 PolarHBondContact O-N 2.91Å; V64-R66 VanDerWaalsContact C-N 3.31Å; V64-R66 PolarHBondContact O-N 2.96Å; R66-S68 VanDerWaalsContact C-N 3.32Å; R66-S68 PolarHBondContact O-N 3.49Å; R66-V69 PolarHBondContact O-N 3.48Å; R66-L70 HydrophobicContact CG-CD1 3.7Å; R66-L70 HydrophobicContact CG-CG 4.22Å; R66-L70 WeakPolarHBondContact O-CB 3.25Å; R66-L70 WeakPolarHBondContact O-CG 3.2Å; R66-L70 PolarHBondContact O-N 2.87Å
67L90.5Very high91.3Very high110 Ų11060.1 Ų60.158%0.57632%0.317SS*.Hα-helixtrans-63.5-39.5179.7-72.4172.1000111.8R63 V64 N65 G71R63-L67 HydrophobicContact CG-CD1 4.1Å; R63-L67 VanDerWaalsContact O-CG 3.28Å; R63-L67 WeakPolarHBondContact O-CG 3.4Å; R63-L67 PolarHBondContact O-N 3.09Å; V64-L67 PolarHBondContact O-N 3.32Å; N65-L67 PolarHBondContact O-N 3.05Å; L67-G71 PolarHBondContact O-N 3.18Å
68S88.1Confident91.4Very high31 Ų3162.6 Ų62.622%0.21734%0.337CS..Hα-helixtrans-64.8-47.6177.2-56.70000112.2V64 N65 R66 G71 A72V64-S68 PolarHBondContact O-N 2.82Å; V64-S68 PolarHBondContact O-OG 3.23Å; V64-S68 VanDerWaalsContact O-OG 3.13Å; N65-S68 PolarHBondContact O-N 3.02Å; R66-S68 VanDerWaalsContact C-N 3.32Å; R66-S68 PolarHBondContact O-N 3.49Å; S68-G71 PolarHBondContact O-N 2.89Å; S68-A72 WeakPolarHBondContact O-CB 3.39Å; S68-A72 PolarHBondContact O-N 2.87Å
69V90.1Very high91.4Very high10 Ų1064.1 Ų64.16%0.06134%0.335CS..Hα-helixtrans-63.1-49178177.20000110.9T30 A57 I60 N65 R66 G71 A72 I73T30-V69 WeakPolarHBondContact O-CG2 3.47Å; A57-V69 HydrophobicContact CB-CB 4.33Å; A57-V69 HydrophobicContact CB-CG1 3.52Å; I60-V69 HydrophobicContact CD1-CB 4.28Å; I60-V69 HydrophobicContact CD1-CG1 4.41Å; I60-V69 HydrophobicContact CD1-CG2 3.99Å; N65-V69 VanDerWaalsContact O-CG2 3.25Å; N65-V69 WeakPolarHBondContact O-CG2 3.16Å; N65-V69 PolarHBondContact O-N 3.04Å; R66-V69 PolarHBondContact O-N 3.48Å; V69-G71 VanDerWaalsContact C-N 3.28Å; V69-G71 PolarHBondContact O-N 3.14Å; V69-A72 PolarHBondContact O-N 3.28Å; V69-I73 HydrophobicContact CG1-CD1 3.85Å; V69-I73 HydrophobicContact CG1-CG1 4.41Å; V69-I73 WeakPolarHBondContact O-CG1 3.37Å; V69-I73 PolarHBondContact O-N 2.98Å
70L92.5Very high91.3Very high23 Ų2358.1 Ų58.112%0.1230%0.303CS..Hα-helixtrans-61.6-39.2178.8-67.6175.9000111.5Y54 A57 R66 T74Y54-L70 HydrophobicContact CD1-CD2 4.03Å; Y54-L70 HydrophobicContact CD2-CD2 3.68Å; Y54-L70 HydrophobicContact CE1-CD2 3.95Å; Y54-L70 HydrophobicContact CE2-CB 3.97Å; Y54-L70 HydrophobicContact CE2-CD2 3.6Å; Y54-L70 HydrophobicContact CE2-CG 4.34Å; Y54-L70 HydrophobicContact CG-CD2 3.9Å; Y54-L70 WeakPolarHBondContact O-CD2 3.2Å; A57-L70 HydrophobicContact CB-CD2 3.79Å; A57-L70 HydrophobicContact CB-CG 4.44Å; R66-L70 HydrophobicContact CG-CD1 3.7Å; R66-L70 HydrophobicContact CG-CG 4.22Å; R66-L70 WeakPolarHBondContact O-CB 3.25Å; R66-L70 WeakPolarHBondContact O-CG 3.2Å; R66-L70 PolarHBondContact O-N 2.87Å; L70-T74 WeakPolarHBondContact O-CB 3.25Å; L70-T74 PolarHBondContact O-N 2.92Å; L70-T74 PolarHBondContact O-OG1 2.99Å
71G91.1Very high91.5Very high30 Ų3063.9 Ų63.931%0.30933%0.326SS..Hα-helixtrans-62.3-44.4174.700000112.4L67 S68 V69 T74 S75L67-G71 PolarHBondContact O-N 3.18Å; S68-G71 PolarHBondContact O-N 2.89Å; V69-G71 VanDerWaalsContact C-N 3.28Å; V69-G71 PolarHBondContact O-N 3.14Å; G71-T74 PolarHBondContact O-N 3.12Å; G71-S75 PolarHBondContact O-N 2.82Å; G71-S75 PolarHBondContact O-OG 3.2Å; G71-S75 VanDerWaalsContact O-OG 3.14Å
72A92.3Very high91.5Very high6 Ų659.5 Ų59.55%0.0531%0.312CS..Hα-helixtrans-63.9-47.1177.300000111.8S31 I33 S68 V69 T74 S75 V76S31-A72 WeakPolarHBondContact O-CB 2.94Å; I33-A72 HydrophobicContact CD1-CB 3.64Å; I33-A72 HydrophobicContact CG1-CB 4.01Å; S68-A72 WeakPolarHBondContact O-CB 3.39Å; S68-A72 PolarHBondContact O-N 2.87Å; V69-A72 PolarHBondContact O-N 3.28Å; A72-T74 VanDerWaalsContact C-N 3.32Å; A72-T74 PolarHBondContact O-N 3.38Å; A72-S75 WeakPolarHBondContact O-CB 3.16Å; A72-S75 PolarHBondContact O-N 2.89Å; A72-V76 WeakPolarHBondContact O-CG2 3.29Å; A72-V76 PolarHBondContact O-N 3.37Å
73I93.3Very high91.7Very high1 Ų159 Ų591%0.00530%0.301CS..Hα-helixtrans-61.6-41.9177.8-63.8171.4000110.7I33 L50 E53 Y54 A57 V69 S75 V76 Q77I33-I73 HydrophobicContact CD1-CB 4.32Å; I33-I73 HydrophobicContact CD1-CG1 3.62Å; L50-I73 HydrophobicContact CB-CG2 4.33Å; L50-I73 WeakPolarHBondContact O-CG2 3.46Å; E53-I73 HydrophobicContact CB-CD1 4.17Å; Y54-I73 HydrophobicContact CD2-CB 4.16Å; Y54-I73 HydrophobicContact CD2-CG2 3.9Å; Y54-I73 HydrophobicContact CG-CG2 4.49Å; A57-I73 HydrophobicContact CB-CD1 4.14Å; V69-I73 HydrophobicContact CG1-CD1 3.85Å; V69-I73 HydrophobicContact CG1-CG1 4.41Å; V69-I73 WeakPolarHBondContact O-CG1 3.37Å; V69-I73 PolarHBondContact O-N 2.98Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.12Å; I73-V76 PolarHBondContact O-N 3.27Å; I73-Q77 HydrophobicContact CG2-CG 4.32Å; I73-Q77 WeakPolarHBondContact O-CG 3.4Å; I73-Q77 PolarHBondContact O-N 3.3Å
74T93.5Very high91.7Very high66 Ų6658.4 Ų58.441%0.40531%0.312SS..Hα-helixtrans-60.4-42176.9-55.10000111.4Y54 L70 G71 A72 Q77 A78Y54-T74 WeakPolarHBondContact CE2-OG1 3.44Å; L70-T74 WeakPolarHBondContact O-CB 3.25Å; L70-T74 PolarHBondContact O-N 2.92Å; L70-T74 PolarHBondContact O-OG1 2.99Å; G71-T74 PolarHBondContact O-N 3.12Å; A72-T74 VanDerWaalsContact C-N 3.32Å; A72-T74 PolarHBondContact O-N 3.38Å; T74-Q77 PolarHBondContact O-N 3.49Å; T74-A78 WeakPolarHBondContact O-CB 3.5Å; T74-A78 PolarHBondContact O-N 3.04Å
75S92.7Very high91.8Very high26 Ų2661.7 Ų61.718%0.18232%0.318CS..Hα-helixtrans-62-45.6175.7-64.30000111.9G71 A72 I73 Q77 A78 R79 N109G71-S75 PolarHBondContact O-N 2.82Å; G71-S75 PolarHBondContact O-OG 3.2Å; G71-S75 VanDerWaalsContact O-OG 3.14Å; A72-S75 WeakPolarHBondContact O-CB 3.16Å; A72-S75 PolarHBondContact O-N 2.89Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.12Å; S75-Q77 PolarHBondContact O-N 2.95Å; S75-A78 PolarHBondContact O-N 3.38Å; S75-R79 WeakPolarHBondContact O-CG 3.47Å; S75-R79 PolarHBondContact O-N 3.29Å; S75-N109 WeakPolarHBondContact CB-OD1 3.47Å
76V94.1Very high92Very high0 Ų060 Ų600%031%0.309CS..Hα-helixtrans-61.7-45176.9178.80000110.9I33 L35 L50 A72 I73 A78 R79 L80 I93 C95I33-V76 HydrophobicContact CB-CG2 4.07Å; I33-V76 HydrophobicContact CD1-CG2 4.01Å; I33-V76 HydrophobicContact CG2-CG2 3.93Å; L35-V76 HydrophobicContact CD2-CG1 3.59Å; L50-V76 HydrophobicContact CD1-CB 4.36Å; L50-V76 HydrophobicContact CD1-CG1 3.59Å; L50-V76 HydrophobicContact CD2-CG1 4.17Å; A72-V76 WeakPolarHBondContact O-CG2 3.29Å; A72-V76 PolarHBondContact O-N 3.37Å; I73-V76 PolarHBondContact O-N 3.27Å; V76-A78 VanDerWaalsContact C-N 3.3Å; V76-A78 PolarHBondContact O-N 3.46Å; V76-R79 PolarHBondContact O-N 3.4Å; V76-L80 WeakPolarHBondContact O-CB 3.03Å; V76-L80 PolarHBondContact O-N 2.8Å; V76-I93 HydrophobicContact CG1-CG2 4.2Å; V76-I93 HydrophobicContact CG2-CG2 4.37Å; V76-C95 HydrophobicContact CG2-CB 3.38Å
77Q93.5Very high92.1Very high44 Ų4456.8 Ų56.821%0.20630%0.3CS..Hα-helixtrans-60.9-39.2177.4-74.2-179.9-13.400112.1L50 I73 T74 S75 K81L50-Q77 HydrophobicContact CB-CG 3.93Å; L50-Q77 HydrophobicContact CD1-CG 4.04Å; L50-Q77 PolarHBondContact O-NE2 3.15Å; I73-Q77 HydrophobicContact CG2-CG 4.32Å; I73-Q77 WeakPolarHBondContact O-CG 3.4Å; I73-Q77 PolarHBondContact O-N 3.3Å; T74-Q77 PolarHBondContact O-N 3.49Å; S75-Q77 PolarHBondContact O-N 2.95Å; Q77-K81 WeakPolarHBondContact O-CG 3.49Å; Q77-K81 PolarHBondContact O-N 3.18Å
78A94Very high92Very high57 Ų5757.1 Ų57.147%0.47131%0.307SS..Hα-helixtrans-64.8-40.6176.200000112T74 S75 V76T74-A78 WeakPolarHBondContact O-CB 3.5Å; T74-A78 PolarHBondContact O-N 3.04Å; S75-A78 PolarHBondContact O-N 3.38Å; V76-A78 VanDerWaalsContact C-N 3.3Å; V76-A78 PolarHBondContact O-N 3.46Å
79R92.7Very high92Very high82 Ų8257.5 Ų57.531%0.30931%0.306SS..Hα-helixtrans-68.3-42.6175.4-65.1-55.5177.8148.2-15.2112.6S75 V76 K81 L82 D111S75-R79 WeakPolarHBondContact O-CG 3.47Å; S75-R79 PolarHBondContact O-N 3.29Å; V76-R79 PolarHBondContact O-N 3.4Å; R79-K81 PolarHBondContact O-N 3.48Å; R79-L82 VanDerWaalsContact O-CB 3.31Å; R79-L82 WeakPolarHBondContact O-CB 3.39Å; R79-L82 PolarHBondContact O-N 3.39Å; R79-D111 WeakPolarHBondContact CD-OD1 3.36Å; R79-D111 IonicContact CZ-OD1 3.33Å; R79-D111 IonicContact NE-OD1 3.09Å; R79-D111 IonicContact NH1-OD1 2.72Å; R79-D111 PolarHBondContact NH1-OD1 3.27Å
80L92.8Very high92Very high3 Ų357 Ų572%0.01630%0.303CS..Hα-helixtrans-60.6-31179.1-171.264.2000112.3M37 I43 I46 L50 V76 L82 Y83 L91 I93M37-L80 HydrophobicContact SD-CD1 3.83Å; I43-L80 HydrophobicContact CG1-CD1 4.23Å; I43-L80 HydrophobicContact CG2-CD1 3.9Å; I43-L80 HydrophobicContact CG2-CD2 4.13Å; I43-L80 HydrophobicContact CG2-CG 3.74Å; I46-L80 HydrophobicContact CB-CD2 4.34Å; I46-L80 HydrophobicContact CG2-CD2 3.96Å; L50-L80 HydrophobicContact CD1-CD2 3.93Å; V76-L80 WeakPolarHBondContact O-CB 3.03Å; V76-L80 PolarHBondContact O-N 2.8Å; L80-L82 VanDerWaalsContact C-N 3.26Å; L80-L82 PolarHBondContact O-N 3.16Å; L80-Y83 PolarHBondContact O-N 2.86Å; L80-L91 HydrophobicContact CD1-CD2 4.16Å; L80-I93 HydrophobicContact CD1-CD1 4.21Å
81K92.1Very high92Very high167 Ų16756 Ų5673%0.72630%0.298SS*.THydrogen-bonded Turntrans-66.9-20.2175-74.6173.9-176.3-179.20114.4Q77 R79 Y83Q77-K81 WeakPolarHBondContact O-CG 3.49Å; Q77-K81 PolarHBondContact O-N 3.18Å; R79-K81 PolarHBondContact O-N 3.48Å; K81-Y83 PolarHBondContact O-N 3.36Å
82L92.9Very high92.2Very high116 Ų11654.5 Ų54.561%0.60728%0.283SS*.THydrogen-bonded Turntrans-70.8-20.8176.3-60.4175000111.8R79 L80R79-L82 VanDerWaalsContact O-CB 3.31Å; R79-L82 WeakPolarHBondContact O-CB 3.39Å; R79-L82 PolarHBondContact O-N 3.39Å; L80-L82 VanDerWaalsContact C-N 3.26Å; L80-L82 PolarHBondContact O-N 3.16Å
83Y92.5Very high92.3Very high53 Ų5354.3 Ų54.321%0.20828%0.281CS..  trans-102.2122.9-178.7-63.7-86.5000110.6I43 L80 K81 P87 L91 D111I43-Y83 WeakPolarHBondContact CD1-O 3.16Å; L80-Y83 PolarHBondContact O-N 2.86Å; K81-Y83 PolarHBondContact O-N 3.36Å; Y83-P87 HydrophobicContact CD1-CG 4.12Å; Y83-P87 HydrophobicContact CE1-CG 4.2Å; Y83-L91 HydrophobicContact CD1-CD1 4.24Å; Y83-L91 HydrophobicContact CD1-CD2 4.48Å; Y83-L91 HydrophobicContact CD2-CD1 4.15Å; Y83-L91 HydrophobicContact CD2-CD2 3.81Å; Y83-L91 HydrophobicContact CE1-CD1 3.8Å; Y83-L91 HydrophobicContact CE2-CD1 3.7Å; Y83-L91 HydrophobicContact CE2-CD2 4.17Å; Y83-L91 HydrophobicContact CG-CD1 4.39Å; Y83-L91 HydrophobicContact CG-CD2 3.97Å; Y83-D111 HydrophobicContact CE2-CB 4.17Å; Y83-D111 WeakPolarHBondContact CE2-OD2 3.24Å; Y83-D111 PolarHBondContact OH-OD2 3.37Å
84N91Very high92.4Very high169 Ų16954.2 Ų54.290%0.90428%0.281SS*.SBendtrans-78-29.7174.4-71.6-35.9000112.3
85K91.8Very high92.3Very high166 Ų16651.1 Ų51.172%0.72226%0.261SS*.SBendtrans-147.7151.7178.7-171.8179176.4-177.80108.9I43 P87I43-K85 VanDerWaalsContact CD1-C 3.43Å; K85-P87 WeakPolarHBondContact O-CD 3.23Å
86V91Very high92.3Very high9 Ų950 Ų506%0.05526%0.255CS..  trans-60.3127.4171-175.50000108.5M37 D41 I43 L91M37-V86 HydrophobicContact CB-CG1 4.32Å; M37-V86 HydrophobicContact CB-CG2 4.46Å; M37-V86 HydrophobicContact CE-CG2 3.26Å; M37-V86 HydrophobicContact SD-CG2 4.27Å; D41-V86 HydrophobicContact CB-CG2 4.41Å; D41-V86 WeakPolarHBondContact O-CG2 3.44Å; I43-V86 HydrophobicContact CG1-CG2 3.81Å; V86-L91 HydrophobicContact CG1-CB 4.22Å
87P92Very high92Very high24 Ų2451.3 Ų51.316%0.15626%0.262CS..  trans-58.7170.1176.2-22.733.9000113.5Y83 K85 N89 G90 E113Y83-P87 HydrophobicContact CD1-CG 4.12Å; Y83-P87 HydrophobicContact CE1-CG 4.2Å; K85-P87 WeakPolarHBondContact O-CD 3.23Å; P87-N89 VanDerWaalsContact C-N 3.29Å; P87-N89 PolarHBondContact O-N 3.4Å; P87-G90 PolarHBondContact O-N 3.44Å; P87-G90 VanDerWaalsContact O-N 3.15Å; P87-E113 HydrophobicContact CB-CB 4.1Å; P87-E113 HydrophobicContact CB-CG 3.77Å; P87-E113 WeakPolarHBondContact CB-OE1 3.26Å; P87-E113 WeakPolarHBondContact CB-OE2 3.31Å; P87-E113 HydrophobicContact CG-CB 4.32Å
88T88.8Confident91.8Very high116 Ų11650.2 Ų50.271%0.71226%0.258SS*.THydrogen-bonded Turntrans-63.3-32.5-170.739.20000114.1P39 E113P39-T88 WeakPolarHBondContact CB-O 3.28Å; T88-E113 PolarHBondContact N-OE1 3.27Å; T88-E113 PolarHBondContact OG1-OE1 3.35Å
89N86.5Confident91.4Very high39 Ų3949.8 Ų49.821%0.20925%0.249CC..THydrogen-bonded Turntrans-97.3-0.5179.5-64.7-26.8000113.3P87 E113 P114 P117 I118P87-N89 VanDerWaalsContact C-N 3.29Å; P87-N89 PolarHBondContact O-N 3.4Å; N89-E113 HydrophobicContact CB-CG 3.92Å; N89-E113 PolarHBondContact N-OE1 3.45Å; N89-P114 HydrophobicContact CB-CG 4.13Å; N89-P114 WeakPolarHBondContact CB-O 3.23Å; N89-P114 PolarHBondContact ND2-O 3.14Å; N89-P114 WeakPolarHBondContact O-CG 3.36Å; N89-P117 VanDerWaalsContact O-CA 3.29Å; N89-P117 WeakPolarHBondContact O-CA 3.43Å; N89-P117 WeakPolarHBondContact OD1-CD 3.44Å; N89-P117 WeakPolarHBondContact OD1-CG 3.49Å; N89-I118 PolarHBondContact O-N 2.9Å
90G91Very high91Very high0 Ų048 Ų480%025%0.247CC..  trans104.5-175.1-171.900000112.3M37 P87 P114M37-G90 CarbonylContact O-C 3.53Å; M37-G90 WeakPolarHBondContact O-CA 3.31Å; P87-G90 PolarHBondContact O-N 3.44Å; P87-G90 VanDerWaalsContact O-N 3.15Å; G90-P114 WeakPolarHBondContact O-CD 3.49Å
91L93.5Very high90.5Very high1 Ų157.8 Ų57.81%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-138.1131.9179.8-178.661.4000109.7M37 L80 Y83 V86 I93M37-L91 HydrophobicContact CB-CB 4.21Å; M37-L91 PolarHBondContact N-O 3.06Å; M37-L91 PolarHBondContact O-N 3.21Å; M37-L91 HydrophobicContact SD-CD2 4.18Å; L80-L91 HydrophobicContact CD1-CD2 4.16Å; Y83-L91 HydrophobicContact CD1-CD1 4.24Å; Y83-L91 HydrophobicContact CD1-CD2 4.48Å; Y83-L91 HydrophobicContact CD2-CD1 4.15Å; Y83-L91 HydrophobicContact CD2-CD2 3.81Å; Y83-L91 HydrophobicContact CE1-CD1 3.8Å; Y83-L91 HydrophobicContact CE2-CD1 3.7Å; Y83-L91 HydrophobicContact CE2-CD2 4.17Å; Y83-L91 HydrophobicContact CG-CD1 4.39Å; Y83-L91 HydrophobicContact CG-CD2 3.97Å; V86-L91 HydrophobicContact CG1-CB 4.22Å; L91-I93 HydrophobicContact CD1-CG1 4.46Å; L91-I93 HydrophobicContact CD2-CD1 3.85Å; L91-I93 HydrophobicContact CD2-CG1 4.31Å; L91-I93 HydrophobicContact CG-CD1 4.15Å; L91-I93 HydrophobicContact CG-CG1 4.05Å
92V93.9Very high90Very high0 Ų056.8 Ų56.80%029%0.291CS..EExtended strand (participates in β ladder)trans-117.8126.2176.8179.90000108.5I36 Y94 D111 F112 P114 I118 L134I36-V92 HydrophobicContact CG1-CG1 4.35Å; I36-V92 HydrophobicContact CG1-CG2 4.42Å; I36-V92 HydrophobicContact CG2-CG2 4.28Å; V92-Y94 HydrophobicContact CG1-CD2 3.88Å; V92-Y94 HydrophobicContact CG1-CE2 3.31Å; V92-D111 WeakPolarHBondContact O-CA 3.32Å; V92-F112 HydrophobicContact CB-CD1 4.25Å; V92-F112 HydrophobicContact CB-CE1 3.84Å; V92-F112 HydrophobicContact CB-CZ 3.99Å; V92-F112 HydrophobicContact CG1-CD1 4.43Å; V92-F112 HydrophobicContact CG1-CE1 3.67Å; V92-F112 HydrophobicContact CG1-CZ 3.95Å; V92-F112 HydrophobicContact CG2-CZ 4.43Å; V92-F112 PolarHBondContact N-O 3.44Å; V92-F112 PolarHBondContact O-N 3.34Å; V92-P114 HydrophobicContact CG2-CG 4.41Å; V92-I118 HydrophobicContact CG2-CD1 3.65Å; V92-L134 HydrophobicContact CG1-CD1 4.46Å; V92-L134 HydrophobicContact CG2-CD2 4.15Å
93I94.6Very high89.4Confident1 Ų153.9 Ų53.91%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-128122.9178.6-58.9169.5000108.7L35 V76 L80 L91 I110 D111L35-I93 HydrophobicContact CB-CB 4.29Å; L35-I93 HydrophobicContact CD2-CB 4.5Å; L35-I93 HydrophobicContact CD2-CD1 4.08Å; L35-I93 PolarHBondContact N-O 3.48Å; L35-I93 PolarHBondContact O-N 3.4Å; V76-I93 HydrophobicContact CG1-CG2 4.2Å; V76-I93 HydrophobicContact CG2-CG2 4.37Å; L80-I93 HydrophobicContact CD1-CD1 4.21Å; L91-I93 HydrophobicContact CD1-CG1 4.46Å; L91-I93 HydrophobicContact CD2-CD1 3.85Å; L91-I93 HydrophobicContact CD2-CG1 4.31Å; L91-I93 HydrophobicContact CG-CD1 4.15Å; L91-I93 HydrophobicContact CG-CG1 4.05Å; I93-I110 CarbonylContact C-O 3.48Å; I93-I110 WeakPolarHBondContact CA-O 3.43Å; I93-D111 HydrophobicContact CG1-CB 4.08Å
94Y94.8Very high88.9Confident0 Ų057.7 Ų57.70%031%0.307CS..EExtended strand (participates in β ladder)trans-113.7123.3168.1-65.3-74.3000109.1L22 I33 S34 V92 I110 F112 F129 H130 L134L22-Y94 HydrophobicContact CD1-CD1 4.48Å; L22-Y94 HydrophobicContact CD1-CD2 3.44Å; L22-Y94 VanDerWaalsContact CD1-CD2 3.44Å; L22-Y94 HydrophobicContact CD1-CE1 4.44Å; L22-Y94 HydrophobicContact CD1-CE2 3.39Å; L22-Y94 HydrophobicContact CD1-CG 4.01Å; L22-Y94 HydrophobicContact CD2-CD2 4.13Å; L22-Y94 HydrophobicContact CD2-CG 3.97Å; L22-Y94 HydrophobicContact CG-CD2 4.47Å; I33-Y94 WeakPolarHBondContact O-CA 3.35Å; S34-Y94 WeakPolarHBondContact OG-CD1 3.48Å; S34-Y94 VanDerWaalsContact OG-CE1 3.32Å; S34-Y94 WeakPolarHBondContact OG-CE1 3.02Å; V92-Y94 HydrophobicContact CG1-CD2 3.88Å; V92-Y94 HydrophobicContact CG1-CE2 3.31Å; Y94-I110 PolarHBondContact N-O 3Å; Y94-I110 PolarHBondContact O-N 3.32Å; Y94-F112 HydrophobicContact CD2-CE1 4.47Å; Y94-F112 HydrophobicContact CE2-CE1 4.29Å; Y94-F129 HydrophobicContact CD1-CB 3.92Å; Y94-F129 AromaticContact CD1-CD1 3.56Å; Y94-F129 HydrophobicContact CD1-CD1 3.56Å; Y94-F129 HydrophobicContact CD1-CE1 4.17Å; Y94-F129 AromaticContact CD1-CG 3.82Å; Y94-F129 HydrophobicContact CD1-CG 3.82Å; Y94-F129 HydrophobicContact CE1-CB 4.07Å; Y94-F129 HydrophobicContact CE1-CD1 4.45Å; Y94-F129 HydrophobicContact CE1-CG 4.47Å; Y94-F129 HydrophobicContact CG-CD1 4.25Å; Y94-F129 HydrophobicContact CG-CE1 4.49Å; Y94-F129 HydrophobicContact CG-CG 4.46Å; Y94-H130 PolarHBondContact OH-O 3.42Å; Y94-L134 HydrophobicContact CE2-CD1 3.77Å; Y94-L134 VanDerWaalsContact OH-CD1 3.25Å; Y94-L134 WeakPolarHBondContact OH-CD1 3.48Å
95C93.3Very high88.6Confident0 Ų056.5 Ų56.50%030%0.296CS..EExtended strand (participates in β ladder)trans-136.8135.9177.7-73.10000110.1I33 V76 V108I33-C95 PolarHBondContact N-O 2.91Å; I33-C95 PolarHBondContact O-N 3.31Å; V76-C95 HydrophobicContact CG2-CB 3.38Å; C95-V108 CarbonylContact C-O 3.56Å; C95-V108 VanDerWaalsContact CA-O 3.25Å; C95-V108 WeakPolarHBondContact CA-O 3.39Å
96G90.7Very high88.3Confident4 Ų456.2 Ų56.24%0.04129%0.29CS..EExtended strand (participates in β ladder)trans174.4178.7175.100000113.9S31 K107 V108S31-G96 WeakPolarHBondContact O-CA 3.48Å; G96-K107 WeakPolarHBondContact O-CA 3.34Å; G96-V108 PolarHBondContact N-O 2.9Å; G96-V108 PolarHBondContact O-N 2.84Å
97T89.2Confident88.1Confident26 Ų2663 Ų6316%0.1632%0.319CS..EExtended strand (participates in β ladder)trans-107.4114174.8450000109.4S31 R106 K107S31-T97 WeakPolarHBondContact CB-OG1 3.33Å; S31-T97 PolarHBondContact OG-OG1 3.35Å; S31-T97 VanDerWaalsContact OG-OG1 3.14Å; T97-R106 WeakPolarHBondContact CA-O 3.47Å; T97-K107 HydrophobicContact CG2-CG 3.81Å
98I89.7Confident88Confident22 Ų2262.8 Ų62.811%0.11332%0.317CS..EExtended strand (participates in β ladder)trans-100152.1175.967.6169.5000109.6A25 M32 E105 R106 V108A25-I98 HydrophobicContact CB-CG2 3.76Å; M32-I98 HydrophobicContact CE-CG2 3.36Å; M32-I98 HydrophobicContact SD-CG2 3.94Å; I98-E105 WeakPolarHBondContact O-CA 3.47Å; I98-R106 HydrophobicContact CG1-CB 3.98Å; I98-R106 WeakPolarHBondContact CG1-O 3.47Å; I98-R106 PolarHBondContact N-O 3.5Å; I98-R106 PolarHBondContact O-N 3.41Å; I98-V108 HydrophobicContact CB-CG2 4.45Å; I98-V108 HydrophobicContact CD1-CG2 3.53Å; I98-V108 HydrophobicContact CG1-CG2 3.68Å; I98-V108 HydrophobicContact CG2-CG2 3.96Å
99V85.7Confident88.2Confident48 Ų4859.8 Ų59.829%0.29130%0.297SS..EExtended strand (participates in β ladder)trans-94.1123.7169.6-173.10000107.6R26 N28R26-V99 PolarHBondContact O-N 3.39Å; N28-V99 HydrophobicContact CB-CG2 4.32Å; N28-V99 VanDerWaalsContact CG-CG2 3.46Å; N28-V99 VanDerWaalsContact ND2-CG2 3.31Å; N28-V99 WeakPolarHBondContact ND2-CG2 3.36Å
100T83.1Confident88.4Confident43 Ų4360.1 Ų60.126%0.26430%0.298SS..PPolyproline II helixtrans-76.2167.1173.663.40000110.6E102 G103 K104 R106T100-E102 PolarHBondContact O-N 3.27Å; T100-E102 VanDerWaalsContact O-N 3.16Å; T100-G103 WeakPolarHBondContact O-CA 3.25Å; T100-G103 PolarHBondContact O-N 3.15Å; T100-K104 PolarHBondContact N-O 3.17Å; T100-K104 PolarHBondContact OG1-N 3.08Å; T100-K104 PolarHBondContact OG1-O 3.46Å; T100-R106 HydrophobicContact CG2-CB 3.78Å
101E81.9Confident88.5Confident210 Ų21061.9 Ų61.998%0.98131%0.307SS*.THydrogen-bonded Turntrans-58.8-27.2178.1-63.9-173.9167.400113.1G103E101-G103 PolarHBondContact O-N 2.75Å
102E81.5Confident88.4Confident146 Ų14663.4 Ų63.468%0.68231%0.314SS*.THydrogen-bonded Turntrans-74.4-0.9173.2-59.2-171.2165.700114T100 K104T100-E102 PolarHBondContact O-N 3.27Å; T100-E102 VanDerWaalsContact O-N 3.16Å; E102-K104 VanDerWaalsContact C-N 3.26Å; E102-K104 HydrophobicContact CB-CG 4.46Å; E102-K104 PolarHBondContact O-N 2.94Å; E102-K104 WeakPolarHBondContact OE2-CE 3.47Å; E102-K104 IonicContact OE2-NZ 3.47Å; E102-K104 PolarHBondContact OE2-NZ 2.9Å
103G80Confident88.2Confident55 Ų5567.2 Ų67.257%0.56733%0.332SS*.SBendtrans76.17.8-175.500000114.6T100 E101T100-G103 WeakPolarHBondContact O-CA 3.25Å; T100-G103 PolarHBondContact O-N 3.15Å; E101-G103 PolarHBondContact O-N 2.75Å
104K83.8Confident87.8Confident132 Ų13267.2 Ų67.257%0.57433%0.332SS*.  trans-83.1142.4176.1-67175.6-175.3152.30110.6T100 E102T100-K104 PolarHBondContact N-O 3.17Å; T100-K104 PolarHBondContact OG1-N 3.08Å; T100-K104 PolarHBondContact OG1-O 3.46Å; E102-K104 VanDerWaalsContact C-N 3.26Å; E102-K104 HydrophobicContact CB-CG 4.46Å; E102-K104 PolarHBondContact O-N 2.94Å; E102-K104 WeakPolarHBondContact OE2-CE 3.47Å; E102-K104 IonicContact OE2-NZ 3.47Å; E102-K104 PolarHBondContact OE2-NZ 2.9Å
105E83.9Confident87.2Confident144 Ų14469.9 Ų69.967%0.67334%0.344SS*.EExtended strand (participates in β ladder)trans-79.5121.2173.1-65.5-175.117400110.3I98I98-E105 WeakPolarHBondContact O-CA 3.47Å
106R85.9Confident86.5Confident160 Ų16072.9 Ų72.960%0.60436%0.357SS*.EExtended strand (participates in β ladder)trans-112.3129.3174.1-176.1179.6-179.7-173.72.4109.7T97 I98 T100T97-R106 WeakPolarHBondContact CA-O 3.47Å; I98-R106 HydrophobicContact CG1-CB 3.98Å; I98-R106 WeakPolarHBondContact CG1-O 3.47Å; I98-R106 PolarHBondContact N-O 3.5Å; I98-R106 PolarHBondContact O-N 3.41Å; T100-R106 HydrophobicContact CG2-CB 3.78Å
107K87.3Confident86Confident152 Ų15276 Ų7666%0.66138%0.376SS*.EExtended strand (participates in β ladder)trans-80123.9170.5-70.8179.3-179-1790109.5G96 T97G96-K107 WeakPolarHBondContact O-CA 3.34Å; T97-K107 HydrophobicContact CG2-CG 3.81Å
108V89.7Confident85.6Confident20 Ų2075 Ų7512%0.12137%0.37CS..EExtended strand (participates in β ladder)trans-106.6122.3175176.70000107.6C95 G96 I98 I110 F129C95-V108 CarbonylContact C-O 3.56Å; C95-V108 VanDerWaalsContact CA-O 3.25Å; C95-V108 WeakPolarHBondContact CA-O 3.39Å; G96-V108 PolarHBondContact N-O 2.9Å; G96-V108 PolarHBondContact O-N 2.84Å; I98-V108 HydrophobicContact CB-CG2 4.45Å; I98-V108 HydrophobicContact CD1-CG2 3.53Å; I98-V108 HydrophobicContact CG1-CG2 3.68Å; I98-V108 HydrophobicContact CG2-CG2 3.96Å; V108-I110 HydrophobicContact CG1-CD1 3.66Å; V108-I110 HydrophobicContact CG1-CG1 3.74Å; V108-F129 HydrophobicContact CG1-CE2 4.27Å; V108-F129 HydrophobicContact CG1-CZ 4.36Å
109N91.4Very high85Confident52 Ų5280.8 Ų80.828%0.27840%0.401SS..EExtended strand (participates in β ladder)trans-132.9104.9175-65.2-33.1000107.3S75S75-N109 WeakPolarHBondContact CB-OD1 3.47Å
110I92.3Very high84.9Confident47 Ų4782 Ų8224%0.24141%0.409CS..EExtended strand (participates in β ladder)trans-126.1124.1-176.7-56.6179.2000108L18 L22 I93 Y94 V108 F112L18-I110 HydrophobicContact CD1-CD1 3.58Å; L18-I110 HydrophobicContact CD1-CG2 4.14Å; L18-I110 HydrophobicContact CD2-CG2 4.13Å; L22-I110 HydrophobicContact CD2-CD1 4.25Å; I93-I110 CarbonylContact C-O 3.48Å; I93-I110 WeakPolarHBondContact CA-O 3.43Å; Y94-I110 PolarHBondContact N-O 3Å; Y94-I110 PolarHBondContact O-N 3.32Å; V108-I110 HydrophobicContact CG1-CD1 3.66Å; V108-I110 HydrophobicContact CG1-CG1 3.74Å; I110-F112 HydrophobicContact CG2-CD1 4.17Å
111D92.4Very high85.2Confident36 Ų3683 Ų8319%0.19342%0.418CS..EExtended strand (participates in β ladder)trans-132.7128.3177.853.3-71.5000109.4R79 Y83 V92 I93R79-D111 WeakPolarHBondContact CD-OD1 3.36Å; R79-D111 IonicContact CZ-OD1 3.33Å; R79-D111 IonicContact NE-OD1 3.09Å; R79-D111 IonicContact NH1-OD1 2.72Å; R79-D111 PolarHBondContact NH1-OD1 3.27Å; Y83-D111 HydrophobicContact CE2-CB 4.17Å; Y83-D111 WeakPolarHBondContact CE2-OD2 3.24Å; Y83-D111 PolarHBondContact OH-OD2 3.37Å; V92-D111 WeakPolarHBondContact O-CA 3.32Å; I93-D111 HydrophobicContact CG1-CB 4.08Å
112F91.7Very high85.7Confident34 Ų3474.5 Ų74.515%0.14938%0.378CS..EExtended strand (participates in β ladder)trans-155.7156.4-179.971.3-79.2000112.6I15 L18 V92 Y94 I110 L134I15-F112 HydrophobicContact CD1-CE2 4.18Å; I15-F112 HydrophobicContact CG1-CE2 4.18Å; L18-F112 HydrophobicContact CD2-CD1 3.92Å; L18-F112 HydrophobicContact CD2-CE1 3.46Å; L18-F112 VanDerWaalsContact CD2-CE1 3.46Å; L18-F112 HydrophobicContact CD2-CZ 3.86Å; V92-F112 HydrophobicContact CB-CD1 4.25Å; V92-F112 HydrophobicContact CB-CE1 3.84Å; V92-F112 HydrophobicContact CB-CZ 3.99Å; V92-F112 HydrophobicContact CG1-CD1 4.43Å; V92-F112 HydrophobicContact CG1-CE1 3.67Å; V92-F112 HydrophobicContact CG1-CZ 3.95Å; V92-F112 HydrophobicContact CG2-CZ 4.43Å; V92-F112 PolarHBondContact N-O 3.44Å; V92-F112 PolarHBondContact O-N 3.34Å; Y94-F112 HydrophobicContact CD2-CE1 4.47Å; Y94-F112 HydrophobicContact CE2-CE1 4.29Å; I110-F112 HydrophobicContact CG2-CD1 4.17Å; F112-L134 HydrophobicContact CE2-CD2 4.43Å; F112-L134 HydrophobicContact CZ-CD1 3.86Å; F112-L134 HydrophobicContact CZ-CD2 3.99Å
113E90.2Very high86.2Confident80 Ų8070 Ų7037%0.37436%0.355SS..  trans-87.4126.8168176.1171.8-162.400109.2P87 T88 N89P87-E113 HydrophobicContact CB-CB 4.1Å; P87-E113 HydrophobicContact CB-CG 3.77Å; P87-E113 WeakPolarHBondContact CB-OE1 3.26Å; P87-E113 WeakPolarHBondContact CB-OE2 3.31Å; P87-E113 HydrophobicContact CG-CB 4.32Å; T88-E113 PolarHBondContact N-OE1 3.27Å; T88-E113 PolarHBondContact OG1-OE1 3.35Å; N89-E113 HydrophobicContact CB-CG 3.92Å; N89-E113 PolarHBondContact N-OE1 3.45Å
114P85.8Confident86.8Confident1 Ų170.7 Ų70.71%0.00635%0.346CS..  trans-69.6152.7176.630.7-36000111.7N89 G90 V92 K116 I118 L137N89-P114 HydrophobicContact CB-CG 4.13Å; N89-P114 WeakPolarHBondContact CB-O 3.23Å; N89-P114 PolarHBondContact ND2-O 3.14Å; N89-P114 WeakPolarHBondContact O-CG 3.36Å; G90-P114 WeakPolarHBondContact O-CD 3.49Å; V92-P114 HydrophobicContact CG2-CG 4.41Å; P114-K116 WeakPolarHBondContact CG-O 3.48Å; P114-K116 PolarHBondContact O-N 3.25Å; P114-I118 HydrophobicContact CB-CD1 3.79Å; P114-I118 HydrophobicContact CB-CG1 4.15Å; P114-I118 HydrophobicContact CG-CD1 3.6Å; P114-I118 HydrophobicContact CG-CG1 3.82Å; P114-L137 HydrophobicContact CB-CD1 3.98Å
115F82.1Confident87.2Confident55 Ų5566.7 Ų66.724%0.24133%0.334CS..SBendtrans-67-15.817870-75.2000114.6M12 I15 L137 L138M12-F115 HydrophobicContact CG-CD2 4.1Å; M12-F115 HydrophobicContact CG-CE1 4.38Å; M12-F115 HydrophobicContact CG-CE2 3.76Å; M12-F115 HydrophobicContact CG-CZ 3.92Å; M12-F115 HydrophobicContact SD-CE2 4.05Å; M12-F115 HydrophobicContact SD-CZ 4.41Å; I15-F115 HydrophobicContact CD1-CB 4.49Å; I15-F115 HydrophobicContact CD1-CD1 3.35Å; I15-F115 HydrophobicContact CD1-CE1 3.95Å; I15-F115 HydrophobicContact CD1-CG 4.32Å; F115-L137 HydrophobicContact CE1-CB 4.15Å; F115-L137 HydrophobicContact CZ-CB 4.17Å; F115-L138 HydrophobicContact CE1-CD2 4.25Å; F115-L138 HydrophobicContact CZ-CD2 4.19Å
116K78.2Confident87.5Confident64 Ų6462 Ų6228%0.27831%0.314SS..SBendtrans-132145.4178.8-83.7178.5177.9-177.20110.3P114 I118 L137 D140P114-K116 WeakPolarHBondContact CG-O 3.48Å; P114-K116 PolarHBondContact O-N 3.25Å; K116-I118 PolarHBondContact O-N 2.89Å; K116-L137 HydrophobicContact CB-CD2 3.93Å; K116-D140 IonicContact NZ-OD2 3.85Å; K116-D140 PolarHBondContact NZ-OD2 3.13Å; K116-D140 VanDerWaalsContact NZ-OD2 3.08Å
117P80.3Confident87.6Confident69 Ų6957.9 Ų57.945%0.44830%0.304SS..  trans-55.2119.8173.6-2634.1000113P39 N89P39-P117 HydrophobicContact CG-CB 4.24Å; N89-P117 VanDerWaalsContact O-CA 3.29Å; N89-P117 WeakPolarHBondContact O-CA 3.43Å; N89-P117 WeakPolarHBondContact OD1-CD 3.44Å; N89-P117 WeakPolarHBondContact OD1-CG 3.49Å
118I81Confident87.8Confident4 Ų453.9 Ų53.92%0.02129%0.286CS..  trans-91.6119.2174.8-61.4175.5000109.6I36 P38 P39 N89 V92 P114 K116 T120 L134 L137I36-I118 HydrophobicContact CG2-CB 4.42Å; I36-I118 HydrophobicContact CG2-CD1 4.12Å; I36-I118 HydrophobicContact CG2-CG2 3.76Å; P38-I118 WeakPolarHBondContact CA-O 3.2Å; P38-I118 VanDerWaalsContact CB-O 3.25Å; P38-I118 WeakPolarHBondContact CB-O 3.4Å; P39-I118 WeakPolarHBondContact CD-O 3.39Å; N89-I118 PolarHBondContact O-N 2.9Å; V92-I118 HydrophobicContact CG2-CD1 3.65Å; P114-I118 HydrophobicContact CB-CD1 3.79Å; P114-I118 HydrophobicContact CB-CG1 4.15Å; P114-I118 HydrophobicContact CG-CD1 3.6Å; P114-I118 HydrophobicContact CG-CG1 3.82Å; K116-I118 PolarHBondContact O-N 2.89Å; I118-T120 VanDerWaalsContact C-N 3.32Å; I118-L134 HydrophobicContact CD1-CD2 4.07Å; I118-L137 HydrophobicContact CD1-CD1 3.57Å; I118-L137 HydrophobicContact CG1-CD1 3.35Å; I118-L137 HydrophobicContact CG1-CD2 4.05Å; I118-L137 HydrophobicContact CG1-CG 4.03Å
119N77.1Confident88Confident145 Ų14553.2 Ų53.278%0.77528%0.282SS*.  trans-85.4-2.8177.3-70.1-30.3000114.2
120T82.8Confident88Confident73 Ų7352 Ų5245%0.44827%0.274SS..  trans-93.3130.5-177.8-51.10000110.4I36 I118I36-T120 WeakPolarHBondContact CG2-O 3.45Å; I118-T120 VanDerWaalsContact C-N 3.32Å
121S89.2Confident88Confident65 Ų6549.9 Ų49.946%0.45526%0.264SS..  trans-99127.4164.4-1730000108.6I36I36-S121 WeakPolarHBondContact O-CA 3.4Å
122L92.3Very high87.8Confident30 Ų3052.6 Ų52.616%0.15728%0.275CS..EExtended strand (participates in β ladder)trans-137.5130.8-178.2-176.1146.5000109.1S34 L35 I36 L124 H130S34-L122 WeakPolarHBondContact O-CD2 3.46Å; L35-L122 CarbonylContact C-O 3.58Å; L35-L122 WeakPolarHBondContact CA-O 3.24Å; I36-L122 HydrophobicContact CB-CB 4.08Å; I36-L122 HydrophobicContact CD1-CB 4.28Å; I36-L122 HydrophobicContact CG1-CB 4.28Å; I36-L122 PolarHBondContact N-O 3.46Å; I36-L122 PolarHBondContact O-N 3.01Å; L122-L124 HydrophobicContact CD1-CD1 3.97Å; L122-L124 HydrophobicContact CD2-CB 4.16Å; L122-L124 HydrophobicContact CD2-CD1 4.05Å; L122-L124 HydrophobicContact CD2-CG 3.99Å; L122-L124 HydrophobicContact CG-CD1 4.04Å; L122-L124 HydrophobicContact CG-CG 4.1Å; L122-H130 HydrophobicContact CD2-CB 4.49Å
123Y93.8Very high87.5Confident51 Ų5151.6 Ų51.620%0.227%0.273CS..EExtended strand (participates in β ladder)trans-135.8112.5166170.2-103.3000106.9I33 S34 L35 M49 L50 E53I33-Y123 HydrophobicContact CG2-CD2 4.14Å; I33-Y123 HydrophobicContact CG2-CE2 3.8Å; S34-Y123 WeakPolarHBondContact O-CA 3.36Å; L35-Y123 HydrophobicContact CD1-CD2 4.15Å; M49-Y123 HydrophobicContact CE-CD1 3.89Å; M49-Y123 HydrophobicContact CE-CD2 3.61Å; M49-Y123 HydrophobicContact CE-CE1 4.38Å; M49-Y123 HydrophobicContact CE-CE2 4.11Å; M49-Y123 HydrophobicContact CE-CG 3.46Å; M49-Y123 VanDerWaalsContact CE-CG 3.46Å; M49-Y123 HydrophobicContact SD-CD1 3.74Å; M49-Y123 HydrophobicContact SD-CD2 4.2Å; M49-Y123 HydrophobicContact SD-CE1 3.77Å; M49-Y123 HydrophobicContact SD-CE2 4.21Å; M49-Y123 HydrophobicContact SD-CG 3.95Å; L50-Y123 HydrophobicContact CD2-CD2 4.28Å; L50-Y123 HydrophobicContact CD2-CE2 3.62Å; E53-Y123 WeakPolarHBondContact CB-OH 3.39Å; E53-Y123 HydrophobicContact CG-CE1 3.67Å; E53-Y123 WeakPolarHBondContact CG-OH 3.39Å
124L92.7Very high87.3Confident71 Ų7147.9 Ų47.937%0.37226%0.256SS..EExtended strand (participates in β ladder)trans-136.1136178.9-68.3175.3000109.6I33 S34 L122 H130I33-L124 WeakPolarHBondContact CA-O 3.35Å; S34-L124 PolarHBondContact N-O 3.34Å; S34-L124 PolarHBondContact O-N 3.34Å; L122-L124 HydrophobicContact CD1-CD1 3.97Å; L122-L124 HydrophobicContact CD2-CB 4.16Å; L122-L124 HydrophobicContact CD2-CD1 4.05Å; L122-L124 HydrophobicContact CD2-CG 3.99Å; L122-L124 HydrophobicContact CG-CD1 4.04Å; L122-L124 HydrophobicContact CG-CG 4.1Å; L124-H130 HydrophobicContact CD1-CB 4.19Å
125C90.7Very high87.2Confident47 Ų4752 Ų5232%0.31828%0.275SS..EExtended strand (participates in β ladder)trans-112114.7169-173.80000108.4T30 M32 I33T30-C125 PolarHBondContact O-SG 2.93Å; T30-C125 VanDerWaalsContact O-SG 3.41Å; M32-C125 CarbonylContact O-C 3.35Å; M32-C125 VanDerWaalsContact O-CA 3.3Å; M32-C125 WeakPolarHBondContact O-CA 3.4Å; I33-C125 HydrophobicContact CG1-CB 4.49Å
126D90.2Very high87.1Confident47 Ų4752.3 Ų52.325%0.25129%0.288SS..EExtended strand (participates in β ladder)trans-144.6-173-174.8-159.3-0.8000110.7S31 M32 H130S31-D126 PolarHBondContact N-O 3.2Å; M32-D126 VanDerWaalsContact CB-O 3.23Å; M32-D126 WeakPolarHBondContact CB-O 3.48Å; M32-D126 PolarHBondContact N-O 2.88Å; M32-D126 PolarHBondContact O-N 2.93Å; D126-H130 IonicContact OD2-CE1 2.71Å; D126-H130 PolarHBondContact OD2-CE1 2.7Å; D126-H130 IonicContact OD2-NE2 2.83Å; D126-H130 PolarHBondContact OD2-NE2 3.39Å
127N89.1Confident87.1Confident73 Ų7350.2 Ų50.239%0.3928%0.279SS..SBendtrans-88.7-2.1172.968.6-8.3000114.2G27 G29G27-N127 PolarHBondContact N-O 3.34Å; G29-N127 WeakPolarHBondContact O-CA 3.49Å; G29-N127 VanDerWaalsContact O-CB 3.26Å; G29-N127 WeakPolarHBondContact O-CB 3.12Å
128K91.2Very high86.8Confident67 Ų6748.2 Ų48.229%0.29127%0.265SS..SBendtrans-137.7158.2178.563.5175.6-173.5161.90109.8
129F93.6Very high86.1Confident6 Ų650.9 Ų50.93%0.02629%0.287CS..  trans-80.5136.9167.9-67.4-53.3000110.5L22 A25 M32 Y94 V108L22-F129 HydrophobicContact CB-CB 4.32Å; L22-F129 HydrophobicContact CB-CD2 4.14Å; L22-F129 HydrophobicContact CD2-CD2 3.34Å; L22-F129 HydrophobicContact CD2-CE2 3.56Å; L22-F129 HydrophobicContact CD2-CG 4.06Å; L22-F129 HydrophobicContact CD2-CZ 4.45Å; L22-F129 HydrophobicContact CG-CD2 4.34Å; A25-F129 HydrophobicContact CB-CD2 4.3Å; A25-F129 HydrophobicContact CB-CE2 4.45Å; M32-F129 HydrophobicContact CB-CD1 3.98Å; M32-F129 HydrophobicContact CB-CE1 3.94Å; M32-F129 HydrophobicContact CE-CD1 3.93Å; M32-F129 HydrophobicContact CE-CD2 3.4Å; M32-F129 HydrophobicContact CE-CE1 3.6Å; M32-F129 HydrophobicContact CE-CE2 3.05Å; M32-F129 HydrophobicContact CE-CG 3.86Å; M32-F129 HydrophobicContact CE-CZ 3.16Å; M32-F129 HydrophobicContact SD-CE1 4.26Å; M32-F129 HydrophobicContact SD-CE2 4.45Å; M32-F129 HydrophobicContact SD-CZ 4.04Å; Y94-F129 HydrophobicContact CD1-CB 3.92Å; Y94-F129 AromaticContact CD1-CD1 3.56Å; Y94-F129 HydrophobicContact CD1-CD1 3.56Å; Y94-F129 HydrophobicContact CD1-CE1 4.17Å; Y94-F129 AromaticContact CD1-CG 3.82Å; Y94-F129 HydrophobicContact CD1-CG 3.82Å; Y94-F129 HydrophobicContact CE1-CB 4.07Å; Y94-F129 HydrophobicContact CE1-CD1 4.45Å; Y94-F129 HydrophobicContact CE1-CG 4.47Å; Y94-F129 HydrophobicContact CG-CD1 4.25Å; Y94-F129 HydrophobicContact CG-CE1 4.49Å; Y94-F129 HydrophobicContact CG-CG 4.46Å; V108-F129 HydrophobicContact CG1-CE2 4.27Å; V108-F129 HydrophobicContact CG1-CZ 4.36Å
130H92.3Very high85.2Confident26 Ų2649 Ų4912%0.1228%0.277CS..  trans-91.8102.8176-71.6-94.6000109.1S34 Y94 L122 L124 D126 E132S34-H130 PolarHBondContact OG-N 2.93Å; Y94-H130 PolarHBondContact OH-O 3.42Å; L122-H130 HydrophobicContact CD2-CB 4.49Å; L124-H130 HydrophobicContact CD1-CB 4.19Å; D126-H130 IonicContact OD2-CE1 2.71Å; D126-H130 PolarHBondContact OD2-CE1 2.7Å; D126-H130 IonicContact OD2-NE2 2.83Å; D126-H130 PolarHBondContact OD2-NE2 3.39Å; H130-E132 VanDerWaalsContact CA-OE2 3.23Å; H130-E132 WeakPolarHBondContact CA-OE2 3.49Å; H130-E132 VanDerWaalsContact CB-OE2 3.28Å; H130-E132 WeakPolarHBondContact CB-OE2 3.26Å; H130-E132 IonicContact CG-OE2 3.6Å; H130-E132 IonicContact ND1-OE1 3.43Å; H130-E132 IonicContact ND1-OE2 3.73Å
131T91.3Very high84.3Confident4 Ų447.4 Ų47.43%0.02527%0.266CS..  trans-102.41.6-174.853.60000113.4I19 L22 E23 A133 L134 Q135I19-T131 HydrophobicContact CG2-CG2 4.42Å; L22-T131 HydrophobicContact CB-CG2 3.79Å; L22-T131 HydrophobicContact CD1-CG2 4.17Å; E23-T131 HydrophobicContact CG-CG2 4.21Å; E23-T131 WeakPolarHBondContact CG-OG1 3.42Å; E23-T131 PolarHBondContact OE1-OG1 2.98Å; T131-A133 PolarHBondContact O-N 3.45Å; T131-L134 WeakPolarHBondContact O-CA 3.38Å; T131-L134 WeakPolarHBondContact O-CB 3.5Å; T131-L134 PolarHBondContact O-N 3.17Å; T131-Q135 PolarHBondContact O-N 3.03Å
132E88.4Confident83.5Confident92 Ų9247.2 Ų47.243%0.4326%0.262SS..Hα-helixtrans-58.5-36.8-171.9-6280.4-177.600112H130 L134 Q135 A136H130-E132 VanDerWaalsContact CA-OE2 3.23Å; H130-E132 WeakPolarHBondContact CA-OE2 3.49Å; H130-E132 VanDerWaalsContact CB-OE2 3.28Å; H130-E132 WeakPolarHBondContact CB-OE2 3.26Å; H130-E132 IonicContact CG-OE2 3.6Å; H130-E132 IonicContact ND1-OE1 3.43Å; H130-E132 IonicContact ND1-OE2 3.73Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 3.14Å; E132-Q135 PolarHBondContact O-N 3.48Å; E132-A136 PolarHBondContact O-N 3.33Å
133A85.1Confident83Confident14 Ų1448.5 Ų48.512%0.11627%0.267CS..Hα-helixtrans-65.7-33.9176.400000112.9I36 T131I36-A133 HydrophobicContact CD1-CB 3.48Å; I36-A133 VanDerWaalsContact CD1-CB 3.48Å; T131-A133 PolarHBondContact O-N 3.45Å
134L86.1Confident82.7Confident1 Ų146.8 Ų46.81%0.00526%0.26CS..Hα-helixtrans-76.7-37.6175.4-67.9179.4000111.8I19 V92 Y94 F112 I118 T131 E132 A136 L137 L138I19-L134 HydrophobicContact CD1-CB 3.57Å; I19-L134 HydrophobicContact CD1-CD1 4.44Å; I19-L134 HydrophobicContact CG1-CB 3.87Å; I19-L134 HydrophobicContact CG1-CD1 3.92Å; V92-L134 HydrophobicContact CG1-CD1 4.46Å; V92-L134 HydrophobicContact CG2-CD2 4.15Å; Y94-L134 HydrophobicContact CE2-CD1 3.77Å; Y94-L134 VanDerWaalsContact OH-CD1 3.25Å; Y94-L134 WeakPolarHBondContact OH-CD1 3.48Å; F112-L134 HydrophobicContact CE2-CD2 4.43Å; F112-L134 HydrophobicContact CZ-CD1 3.86Å; F112-L134 HydrophobicContact CZ-CD2 3.99Å; I118-L134 HydrophobicContact CD1-CD2 4.07Å; T131-L134 WeakPolarHBondContact O-CA 3.38Å; T131-L134 WeakPolarHBondContact O-CB 3.5Å; T131-L134 PolarHBondContact O-N 3.17Å; E132-L134 VanDerWaalsContact C-N 3.33Å; E132-L134 PolarHBondContact O-N 3.14Å; L134-A136 VanDerWaalsContact C-N 3.26Å; L134-A136 PolarHBondContact O-N 2.94Å; L134-L137 HydrophobicContact CD2-CD1 4.23Å; L134-L137 WeakPolarHBondContact O-CB 3.49Å; L134-L137 PolarHBondContact O-N 3.28Å; L134-L137 VanDerWaalsContact O-N 3.14Å; L134-L138 PolarHBondContact O-N 3.26Å
135Q84.5Confident82.6Confident89 Ų8943.4 Ų43.442%0.41624%0.242SC..Hα-helixtrans-59.2-40.4173.8-69-174.2-9.500111.3I19 E23 T131 E132 L137 L138 A139I19-Q135 HydrophobicContact CG2-CG 4.16Å; E23-Q135 PolarHBondContact OE1-NE2 2.97Å; T131-Q135 PolarHBondContact O-N 3.03Å; E132-Q135 PolarHBondContact O-N 3.48Å; Q135-L137 VanDerWaalsContact C-N 3.28Å; Q135-L137 PolarHBondContact O-N 3.24Å; Q135-L138 PolarHBondContact O-N 3.19Å; Q135-L138 VanDerWaalsContact O-N 3.1Å; Q135-A139 PolarHBondContact O-N 3.39Å
136A79Confident82.7Confident60 Ų6041.1 Ų41.150%0.49623%0.227SC..Hα-helixtrans-59.9-36.3176.200000112.7E132 L134 L138 A139E132-A136 PolarHBondContact O-N 3.33Å; L134-A136 VanDerWaalsContact C-N 3.26Å; L134-A136 PolarHBondContact O-N 2.94Å; A136-L138 VanDerWaalsContact C-N 3.3Å; A136-L138 PolarHBondContact O-N 3.43Å; A136-A139 PolarHBondContact O-N 2.85Å
137L77.5Confident82.9Confident20 Ų2038.9 Ų38.911%0.10522%0.215CC..Hα-helixtrans-66.5-32.3175.8-68.1179.2000113.2P114 F115 K116 I118 L134 Q135P114-L137 HydrophobicContact CB-CD1 3.98Å; F115-L137 HydrophobicContact CE1-CB 4.15Å; F115-L137 HydrophobicContact CZ-CB 4.17Å; K116-L137 HydrophobicContact CB-CD2 3.93Å; I118-L137 HydrophobicContact CD1-CD1 3.57Å; I118-L137 HydrophobicContact CG1-CD1 3.35Å; I118-L137 HydrophobicContact CG1-CD2 4.05Å; I118-L137 HydrophobicContact CG1-CG 4.03Å; L134-L137 HydrophobicContact CD2-CD1 4.23Å; L134-L137 WeakPolarHBondContact O-CB 3.49Å; L134-L137 PolarHBondContact O-N 3.28Å; L134-L137 VanDerWaalsContact O-N 3.14Å; Q135-L137 VanDerWaalsContact C-N 3.28Å; Q135-L137 PolarHBondContact O-N 3.24Å
138L75.2Confident83.2Confident27 Ų2735.5 Ų35.514%0.14120%0.197CC..Hα-helixtrans-78.8-29177-66.7174000112.5I15 K16 I19 F115 L134 Q135 A136 D140I15-L138 HydrophobicContact CG2-CD2 4.47Å; K16-L138 HydrophobicContact CB-CD1 4.46Å; K16-L138 HydrophobicContact CG-CD1 3.45Å; K16-L138 VanDerWaalsContact CG-CD1 3.45Å; K16-L138 HydrophobicContact CG-CD2 3.9Å; K16-L138 HydrophobicContact CG-CG 4.31Å; I19-L138 HydrophobicContact CD1-CD1 3.36Å; I19-L138 HydrophobicContact CD1-CG 4.3Å; F115-L138 HydrophobicContact CE1-CD2 4.25Å; F115-L138 HydrophobicContact CZ-CD2 4.19Å; L134-L138 PolarHBondContact O-N 3.26Å; Q135-L138 PolarHBondContact O-N 3.19Å; Q135-L138 VanDerWaalsContact O-N 3.1Å; A136-L138 VanDerWaalsContact C-N 3.3Å; A136-L138 PolarHBondContact O-N 3.43Å; L138-D140 PolarHBondContact O-N 2.55Å
139A65.7Low83.2Confident60 Ų6032.3 Ų32.350%0.49618%0.183SC..Hα-helixtrans-67.9-16.8-177.700000113.7Q135 A136 D141 Q160Q135-A139 PolarHBondContact O-N 3.39Å; A136-A139 PolarHBondContact O-N 2.85Å; A139-D141 PolarHBondContact O-N 3.2Å; A139-Q160 PolarHBondContact O-NE2 3.42Å
140D59.4Low83.1Confident105 Ų10533.4 Ų33.456%0.56119%0.19SC*.THydrogen-bonded Turntrans-66.215176.5-97.8-1.2000114.9K116 L138 T142K116-D140 IonicContact NZ-OD2 3.85Å; K116-D140 PolarHBondContact NZ-OD2 3.13Å; K116-D140 VanDerWaalsContact NZ-OD2 3.08Å; L138-D140 PolarHBondContact O-N 2.55Å; D140-T142 PolarHBondContact O-N 2.99Å; D140-T142 VanDerWaalsContact O-N 3.09Å
141D63.7Low82.8Confident41 Ų4133.2 Ų33.222%0.21919%0.194CC..SBendtrans-60117.1164.5-80.7-21.7000107.7A139 K143 Q160 K277A139-D141 PolarHBondContact O-N 3.2Å; D141-K143 PolarHBondContact O-N 3.27Å; D141-Q160 HydrophobicContact CB-CG 3.88Å; D141-Q160 PolarHBondContact O-NE2 3.01Å; D141-K277 IonicContact OD1-NZ 3.7Å; D141-K277 PolarHBondContact OD1-NZ 3.13Å; D141-K277 IonicContact OD2-NZ 3.49Å
142T72.5Confident82.7Confident61 Ų6138.5 Ų38.537%0.37422%0.222SC..  trans-56.9111.6-177.939.40000109.7D140 F144D140-T142 PolarHBondContact O-N 2.99Å; D140-T142 VanDerWaalsContact O-N 3.09Å; T142-F144 VanDerWaalsContact O-CD2 3.27Å; T142-F144 WeakPolarHBondContact O-CD2 3.29Å; T142-F144 WeakPolarHBondContact O-CE2 3.28Å; T142-F144 WeakPolarHBondContact OG1-CE2 3.43Å
143K80Confident82.9Confident57 Ų5734.7 Ų34.725%0.24821%0.208CC..EExtended strand (participates in β ladder)trans-78.7125.9176-168.5172.5179.5171.90109.1D141 T158 Q160 V219 S220D141-K143 PolarHBondContact O-N 3.27Å; K143-T158 HydrophobicContact CD-CG2 4.48Å; K143-T158 VanDerWaalsContact CE-CB 3.42Å; K143-T158 WeakPolarHBondContact CE-OG1 3.34Å; K143-T158 HydrophobicContact CG-CG2 4.45Å; K143-Q160 HydrophobicContact CB-CB 4.47Å; K143-Q160 HydrophobicContact CB-CG 4.4Å; K143-Q160 HydrophobicContact CG-CB 4.27Å; K143-V219 HydrophobicContact CG-CG1 4.22Å; K143-V219 CarbonylContact O-C 3.6Å; K143-V219 WeakPolarHBondContact O-CA 3.36Å; K143-S220 PolarHBondContact O-N 3Å; K143-S220 PolarHBondContact O-OG 2.9Å
144F88Confident83.3Confident14 Ų1434.2 Ų34.26%0.06120%0.204CC..EExtended strand (participates in β ladder)trans-108.9138.3174.2-66.2-82.8000110T142 F146 T158 L159 S220 G221 I249 L273 V276T142-F144 VanDerWaalsContact O-CD2 3.27Å; T142-F144 WeakPolarHBondContact O-CD2 3.29Å; T142-F144 WeakPolarHBondContact O-CE2 3.28Å; T142-F144 WeakPolarHBondContact OG1-CE2 3.43Å; F144-F146 HydrophobicContact CB-CE2 4.18Å; F144-T158 CarbonylContact O-C 3.49Å; F144-T158 WeakPolarHBondContact O-CA 3.48Å; F144-L159 PolarHBondContact N-O 3.08Å; F144-L159 PolarHBondContact O-N 2.89Å; F144-S220 WeakPolarHBondContact CE1-OG 3.46Å; F144-G221 CarbonylContact C-O 3.57Å; F144-G221 WeakPolarHBondContact CA-O 3.28Å; F144-I249 HydrophobicContact CD1-CD1 3.86Å; F144-I249 HydrophobicContact CE1-CD1 3.52Å; F144-L273 HydrophobicContact CB-CD2 4.19Å; F144-L273 HydrophobicContact CD1-CD2 3.24Å; F144-L273 HydrophobicContact CD2-CD2 3.98Å; F144-L273 HydrophobicContact CE1-CD2 3.44Å; F144-L273 VanDerWaalsContact CE1-CD2 3.44Å; F144-L273 HydrophobicContact CE2-CD2 4.15Å; F144-L273 HydrophobicContact CG-CD2 3.52Å; F144-L273 HydrophobicContact CZ-CD2 3.89Å; F144-V276 HydrophobicContact CD2-CG2 3.46Å; F144-V276 VanDerWaalsContact CD2-CG2 3.46Å; F144-V276 HydrophobicContact CE2-CG2 3.25Å; F144-V276 HydrophobicContact CZ-CG2 4.21Å
145G90.9Very high83.7Confident0 Ų034.3 Ų34.30%020%0.204CC..EExtended strand (participates in β ladder)trans-94.8145.9173.700000111G221 L222 V223G145-G221 PolarHBondContact N-O 2.63Å; G145-L222 CarbonylContact O-C 3.56Å; G145-L222 WeakPolarHBondContact O-CA 3.46Å; G145-V223 PolarHBondContact O-N 2.86Å
146F93.1Very high84.2Confident0 Ų030.1 Ų30.10%019%0.185CC..EExtended strand (participates in β ladder)trans-128.3132.9173.4-73.3-103.1000109.6F144 F156 G157 L159 V223 F262 A265 I266 A269 L273F144-F146 HydrophobicContact CB-CE2 4.18Å; F146-F156 WeakPolarHBondContact O-CA 3.28Å; F146-G157 PolarHBondContact N-O 2.99Å; F146-G157 PolarHBondContact O-N 2.77Å; F146-L159 HydrophobicContact CD2-CB 4.23Å; F146-L159 HydrophobicContact CE2-CB 3.59Å; F146-L159 HydrophobicContact CE2-CD2 3.97Å; F146-L159 HydrophobicContact CE2-CG 4.46Å; F146-L159 HydrophobicContact CZ-CD2 4.11Å; F146-V223 WeakPolarHBondContact CA-O 3.36Å; F146-V223 HydrophobicContact CD1-CB 3.72Å; F146-V223 HydrophobicContact CD1-CG1 3.93Å; F146-V223 HydrophobicContact CD1-CG2 4.38Å; F146-V223 HydrophobicContact CE1-CB 3.81Å; F146-V223 HydrophobicContact CE1-CG1 3.92Å; F146-V223 HydrophobicContact CE1-CG2 4.02Å; F146-V223 HydrophobicContact CG-CB 4.29Å; F146-V223 HydrophobicContact CZ-CB 4.45Å; F146-V223 HydrophobicContact CZ-CG2 4.24Å; F146-F262 HydrophobicContact CB-CD2 3.85Å; F146-F262 HydrophobicContact CB-CE2 3.47Å; F146-F262 VanDerWaalsContact CB-CE2 3.47Å; F146-F262 HydrophobicContact CD1-CD2 4.29Å; F146-F262 HydrophobicContact CD1-CE2 4.09Å; F146-F262 AromaticContact CD2-CE2 3.82Å; F146-F262 HydrophobicContact CD2-CE2 3.82Å; F146-F262 HydrophobicContact CG-CD2 4.08Å; F146-F262 AromaticContact CG-CE2 3.54Å; F146-F262 HydrophobicContact CG-CE2 3.54Å; F146-A265 HydrophobicContact CD1-CB 4.23Å; F146-A265 HydrophobicContact CE1-CB 4.42Å; F146-I266 HydrophobicContact CD1-CG1 4.34Å; F146-I266 HydrophobicContact CE1-CB 4.39Å; F146-I266 HydrophobicContact CE1-CG1 3.75Å; F146-I266 HydrophobicContact CE2-CG1 4.19Å; F146-I266 HydrophobicContact CZ-CB 4.34Å; F146-I266 HydrophobicContact CZ-CG1 3.65Å; F146-A269 HydrophobicContact CE1-CB 4.17Å; F146-L273 HydrophobicContact CE1-CD1 4.35Å; F146-L273 HydrophobicContact CE2-CD1 4.3Å; F146-L273 HydrophobicContact CZ-CD1 3.53Å
147I94.4Very high84.8Confident0 Ų027.2 Ų27.20%016%0.161CC..EExtended strand (participates in β ladder)trans-119.2110.9171.2-58.5177.9000106.8M149 F156 V203 A207 F211 L222 V223 L224 A225 L234I147-M149 HydrophobicContact CG2-CG 3.99Å; I147-F156 HydrophobicContact CD1-CD1 4.41Å; I147-F156 HydrophobicContact CD1-CE1 4.12Å; I147-F156 HydrophobicContact CG1-CD1 3.92Å; I147-F156 HydrophobicContact CG1-CE1 4Å; I147-F156 HydrophobicContact CG2-CD1 4.44Å; I147-F156 HydrophobicContact CG2-CE1 4.01Å; I147-F156 HydrophobicContact CG2-CZ 4.46Å; I147-V203 HydrophobicContact CG2-CG1 3.88Å; I147-A207 HydrophobicContact CD1-CB 3.7Å; I147-F211 HydrophobicContact CD1-CD2 4.39Å; I147-F211 HydrophobicContact CD1-CE2 3.98Å; I147-F211 HydrophobicContact CG1-CE2 3.66Å; I147-F211 HydrophobicContact CG1-CZ 4.44Å; I147-L222 HydrophobicContact CD1-CD1 4.01Å; I147-L222 HydrophobicContact CD1-CD2 3.99Å; I147-L222 HydrophobicContact CD1-CG 4.38Å; I147-L222 HydrophobicContact CG1-CD1 3.98Å; I147-V223 PolarHBondContact N-O 3.07Å; I147-L224 HydrophobicContact CB-CD2 3.86Å; I147-L224 HydrophobicContact CD1-CD2 3.82Å; I147-L224 HydrophobicContact CG1-CD2 4.18Å; I147-A225 PolarHBondContact O-N 3.17Å; I147-A225 VanDerWaalsContact O-O 3.12Å; I147-L234 HydrophobicContact CD1-CD2 4.39Å; I147-L234 HydrophobicContact CG2-CD2 4.14Å
148V94.4Very high85.4Confident1 Ų126.3 Ų26.31%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-100.8112.1175.2-170.40000108.5A154 L155 A225 V254 F262V148-A154 CarbonylContact O-C 3.6Å; V148-A154 VanDerWaalsContact O-CA 3.25Å; V148-A154 WeakPolarHBondContact O-CA 3.29Å; V148-L155 HydrophobicContact CB-CB 4.29Å; V148-L155 HydrophobicContact CG2-CD2 4.33Å; V148-L155 PolarHBondContact N-O 3.18Å; V148-L155 PolarHBondContact O-N 2.83Å; V148-A225 CarbonylContact C-O 3.37Å; V148-A225 VanDerWaalsContact CA-O 3.31Å; V148-A225 WeakPolarHBondContact CA-O 3.48Å; V148-A225 HydrophobicContact CG2-CB 4.27Å; V148-V254 HydrophobicContact CG1-CG2 4.36Å; V148-F262 HydrophobicContact CG2-CB 3.96Å; V148-F262 HydrophobicContact CG2-CD2 4.19Å
149M92.7Very high85.8Confident1 Ų125 Ų251%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-102.9126.7176.8-63-174.973.400110.7I147 Y199 V200 V203 A225 G226 S227 F230 L234I147-M149 HydrophobicContact CG2-CG 3.99Å; M149-Y199 HydrophobicContact CE-CD1 4.36Å; M149-Y199 HydrophobicContact CE-CE1 3.93Å; M149-V200 HydrophobicContact CE-CG2 4.34Å; M149-V203 HydrophobicContact CE-CB 4.25Å; M149-V203 HydrophobicContact CE-CG1 4.11Å; M149-V203 HydrophobicContact CE-CG2 4.13Å; M149-V203 HydrophobicContact CG-CG1 4.17Å; M149-V203 HydrophobicContact SD-CG1 4.04Å; M149-A225 PolarHBondContact N-O 2.85Å; M149-G226 WeakPolarHBondContact O-CA 3.48Å; M149-S227 PolarHBondContact O-N 2.97Å; M149-F230 HydrophobicContact CB-CB 4.43Å; M149-F230 HydrophobicContact CE-CB 4.14Å; M149-L234 HydrophobicContact CE-CB 4.49Å; M149-L234 HydrophobicContact SD-CB 3.73Å; M149-L234 HydrophobicContact SD-CD2 3.55Å; M149-L234 VanDerWaalsContact SD-CD2 3.55Å; M149-L234 HydrophobicContact SD-CG 4.15Å
150D90.6Very high86.2Confident29 Ų2925.2 Ų25.216%0.15514%0.14CC..EExtended strand (participates in β ladder)trans-127.7166.1168.7-172.928.4000110.3N152 G153 Y199 S227D150-N152 PolarHBondContact O-N 3.4Å; D150-N152 PolarHBondContact OD2-ND2 2.9Å; D150-G153 WeakPolarHBondContact CA-O 3.39Å; D150-G153 PolarHBondContact N-O 3.49Å; D150-G153 PolarHBondContact O-N 3.08Å; D150-G153 VanDerWaalsContact O-O 3.13Å; D150-Y199 WeakPolarHBondContact O-CE1 3.25Å; D150-Y199 PolarHBondContact O-OH 2.83Å; D150-S227 PolarHBondContact OD1-OG 2.82Å
151G87.1Confident86.6Confident21 Ų2120.5 Ų20.522%0.21612%0.116CC..THydrogen-bonded Turntrans-64.2-18.5175.500000114
152N88.7Confident86.6Confident116 Ų11619.8 Ų19.862%0.6211%0.112SC*.THydrogen-bonded Turntrans-100.6-8.9-179.4-59.6-40.1000113.7D150 T171 V172D150-N152 PolarHBondContact O-N 3.4Å; D150-N152 PolarHBondContact OD2-ND2 2.9Å; N152-T171 CarbonylContact O-C 3.59Å; N152-T171 WeakPolarHBondContact O-CA 3.46Å; N152-V172 CarbonylContact C-O 3.55Å; N152-V172 WeakPolarHBondContact CA-O 3.02Å; N152-V172 PolarHBondContact O-N 3.39Å
153G91.9Very high86.3Confident12 Ų1218.8 Ų18.812%0.12411%0.108CC..EExtended strand (participates in β ladder)trans159.6172.8-174.400000114.2D150 F170 Y199D150-G153 WeakPolarHBondContact CA-O 3.39Å; D150-G153 PolarHBondContact N-O 3.49Å; D150-G153 PolarHBondContact O-N 3.08Å; D150-G153 VanDerWaalsContact O-O 3.13Å; G153-F170 CarbonylContact C-O 3.53Å; G153-F170 WeakPolarHBondContact CA-O 3.49Å; G153-Y199 PolarHBondContact O-OH 3.37Å
154A94Very high86.3Confident4 Ų422.2 Ų22.23%0.03312%0.119CC..EExtended strand (participates in β ladder)trans-124.2145.7179.500000111.2V148 F156 K169 F170 Y199 V203V148-A154 CarbonylContact O-C 3.6Å; V148-A154 VanDerWaalsContact O-CA 3.25Å; V148-A154 WeakPolarHBondContact O-CA 3.29Å; A154-F156 HydrophobicContact CB-CE2 4.03Å; A154-K169 WeakPolarHBondContact O-CA 3.47Å; A154-F170 HydrophobicContact CB-CE1 4.28Å; A154-F170 HydrophobicContact CB-CE2 4.14Å; A154-F170 HydrophobicContact CB-CZ 3.91Å; A154-F170 PolarHBondContact N-O 3.26Å; A154-F170 PolarHBondContact O-N 3.09Å; A154-Y199 HydrophobicContact CB-CE2 4.22Å; A154-Y199 PolarHBondContact N-OH 2.97Å; A154-V203 HydrophobicContact CB-CG2 3.7Å
155L95.1Very high86.1Confident3 Ų325 Ų252%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-124.9135.1174-178.7154.2000109.7V148 I166 K169 E259 F262V148-L155 HydrophobicContact CB-CB 4.29Å; V148-L155 HydrophobicContact CG2-CD2 4.33Å; V148-L155 PolarHBondContact N-O 3.18Å; V148-L155 PolarHBondContact O-N 2.83Å; L155-I166 HydrophobicContact CD1-CD1 4.47Å; L155-I166 HydrophobicContact CD1-CG2 4.07Å; L155-I166 HydrophobicContact CD2-CG2 4.32Å; L155-I166 HydrophobicContact CG-CG2 4.03Å; L155-K169 HydrophobicContact CG-CB 4.47Å; L155-E259 HydrophobicContact CD1-CG 3.8Å; L155-F262 HydrophobicContact CD2-CB 4.04Å; L155-F262 HydrophobicContact CD2-CD1 4.29Å; L155-F262 HydrophobicContact CD2-CD2 4.26Å; L155-F262 HydrophobicContact CD2-CG 3.94Å
156F94.7Very high86.1Confident0 Ų028.4 Ų28.40%015%0.152CC..EExtended strand (participates in β ladder)trans-114.6122.4175.7-60.9-96.9000108.2F146 I147 A154 L167 L168 F170 V203 T206 A207 L210 F211F146-F156 WeakPolarHBondContact O-CA 3.28Å; I147-F156 HydrophobicContact CD1-CD1 4.41Å; I147-F156 HydrophobicContact CD1-CE1 4.12Å; I147-F156 HydrophobicContact CG1-CD1 3.92Å; I147-F156 HydrophobicContact CG1-CE1 4Å; I147-F156 HydrophobicContact CG2-CD1 4.44Å; I147-F156 HydrophobicContact CG2-CE1 4.01Å; I147-F156 HydrophobicContact CG2-CZ 4.46Å; A154-F156 HydrophobicContact CB-CE2 4.03Å; F156-L167 PolarHBondContact O-N 3.1Å; F156-L168 HydrophobicContact CD2-CB 4.43Å; F156-L168 PolarHBondContact N-O 3.2Å; F156-L168 PolarHBondContact O-N 2.66Å; F156-F170 HydrophobicContact CD2-CE1 4.5Å; F156-F170 HydrophobicContact CE2-CD1 4.21Å; F156-F170 AromaticContact CE2-CE1 3.54Å; F156-F170 HydrophobicContact CE2-CE1 3.54Å; F156-F170 HydrophobicContact CE2-CZ 4.29Å; F156-F170 HydrophobicContact CZ-CE1 4.25Å; F156-V203 HydrophobicContact CE1-CG1 4.3Å; F156-V203 HydrophobicContact CZ-CB 4.35Å; F156-V203 HydrophobicContact CZ-CG1 3.82Å; F156-V203 WeakPolarHBondContact CZ-O 3.35Å; F156-T206 HydrophobicContact CD2-CG2 4.07Å; F156-T206 HydrophobicContact CE1-CG2 4.3Å; F156-T206 HydrophobicContact CE2-CG2 3.68Å; F156-T206 HydrophobicContact CZ-CG2 3.78Å; F156-A207 HydrophobicContact CE1-CB 3.9Å; F156-L210 HydrophobicContact CB-CD1 3.52Å; F156-L210 HydrophobicContact CD1-CD1 4.01Å; F156-L210 HydrophobicContact CD2-CD1 4.16Å; F156-L210 HydrophobicContact CG-CD1 3.62Å; F156-F211 AromaticContact CD1-CE2 3.91Å; F156-F211 HydrophobicContact CD1-CE2 3.91Å; F156-F211 HydrophobicContact CD1-CZ 4.48Å
157G92.2Very high86Confident0 Ų031.7 Ų31.70%017%0.17CC..EExtended strand (participates in β ladder)trans-136162.8-179.500000111.5F146 D165F146-G157 PolarHBondContact N-O 2.99Å; F146-G157 PolarHBondContact O-N 2.77Å; G157-D165 CarbonylContact C-O 3.58Å; G157-D165 WeakPolarHBondContact CA-O 3.41Å
158T89.5Confident85.9Confident0 Ų035.2 Ų35.20%019%0.188CC..EExtended strand (participates in β ladder)trans-127.2145.817253.50000110.4K143 F144 R164 D165 L167 F211 V219K143-T158 HydrophobicContact CD-CG2 4.48Å; K143-T158 VanDerWaalsContact CE-CB 3.42Å; K143-T158 WeakPolarHBondContact CE-OG1 3.34Å; K143-T158 HydrophobicContact CG-CG2 4.45Å; F144-T158 CarbonylContact O-C 3.49Å; F144-T158 WeakPolarHBondContact O-CA 3.48Å; T158-R164 WeakPolarHBondContact O-CA 3.38Å; T158-D165 PolarHBondContact N-O 2.97Å; T158-D165 PolarHBondContact O-N 2.92Å; T158-L167 HydrophobicContact CG2-CD1 3.68Å; T158-L167 HydrophobicContact CG2-CG 4.19Å; T158-F211 HydrophobicContact CG2-CD1 4.4Å; T158-F211 HydrophobicContact CG2-CE1 3.67Å; T158-V219 HydrophobicContact CG2-CG1 4.49Å
159L82.5Confident85.9Confident0 Ų041.3 Ų41.30%022%0.215CC..EExtended strand (participates in β ladder)trans-118.7120.1172.4-174.267.3000107.6F144 F146 R164 I266 L273 V276F144-L159 PolarHBondContact N-O 3.08Å; F144-L159 PolarHBondContact O-N 2.89Å; F146-L159 HydrophobicContact CD2-CB 4.23Å; F146-L159 HydrophobicContact CE2-CB 3.59Å; F146-L159 HydrophobicContact CE2-CD2 3.97Å; F146-L159 HydrophobicContact CE2-CG 4.46Å; F146-L159 HydrophobicContact CZ-CD2 4.11Å; L159-R164 HydrophobicContact CD1-CB 4.1Å; L159-I266 HydrophobicContact CD1-CD1 4.47Å; L159-I266 HydrophobicContact CD2-CG1 4.42Å; L159-I266 HydrophobicContact CD2-CG2 3.91Å; L159-L273 HydrophobicContact CD2-CD1 4.44Å; L159-V276 HydrophobicContact CD2-CG1 3.83Å; L159-V276 HydrophobicContact CD2-CG2 4.47Å; L159-V276 HydrophobicContact CG-CG1 4.11Å
160Q75.7Confident85.9Confident64 Ų6442.8 Ų42.830%0.29922%0.221SC..EExtended strand (participates in β ladder)trans-133118.6176.9-173.4176.53.400109.4A139 D141 K143 N162 S163A139-Q160 PolarHBondContact O-NE2 3.42Å; D141-Q160 HydrophobicContact CB-CG 3.88Å; D141-Q160 PolarHBondContact O-NE2 3.01Å; K143-Q160 HydrophobicContact CB-CB 4.47Å; K143-Q160 HydrophobicContact CB-CG 4.4Å; K143-Q160 HydrophobicContact CG-CB 4.27Å; Q160-N162 PolarHBondContact O-N 3.31Å; Q160-S163 PolarHBondContact N-O 2.99Å; Q160-S163 PolarHBondContact O-N 2.75Å
161G67.9Low86Confident6 Ų647.4 Ų47.46%0.06225%0.25CS..THydrogen-bonded Turntrans57-112.2-176.400000110.6V276 F278G161-V276 WeakPolarHBondContact O-CG1 3.3Å; G161-F278 VanDerWaalsContact O-CB 3.31Å; G161-F278 WeakPolarHBondContact O-CB 3.46Å; G161-F278 PolarHBondContact O-N 3.48Å
162N63.1Low86.2Confident26 Ų2648.1 Ų48.114%0.13925%0.25CS..THydrogen-bonded Turntrans-104.31.1177.6-68.24.8000114.7Q160 K277 F278 E281 T391 K393Q160-N162 PolarHBondContact O-N 3.31Å; N162-K277 VanDerWaalsContact OD1-CB 3.27Å; N162-K277 WeakPolarHBondContact OD1-CB 3.17Å; N162-F278 HydrophobicContact CB-CD2 4.07Å; N162-F278 WeakPolarHBondContact O-CD2 3.07Å; N162-F278 WeakPolarHBondContact OD1-CA 3.35Å; N162-F278 PolarHBondContact OD1-N 2.93Å; N162-E281 PolarHBondContact ND2-OE2 3.31Å; N162-T391 VanDerWaalsContact ND2-CG2 3.3Å; N162-T391 WeakPolarHBondContact ND2-CG2 3.32Å; N162-T391 PolarHBondContact ND2-OG1 3.28Å; N162-T391 VanDerWaalsContact ND2-OG1 3.11Å; N162-K393 HydrophobicContact CB-CD 4.21Å
163S66.8Low86.3Confident41 Ų4149.8 Ų49.829%0.28726%0.26SS..EExtended strand (participates in β ladder)trans-102.3133.1-179-154.90000110.6Q160 D165Q160-S163 PolarHBondContact N-O 2.99Å; Q160-S163 PolarHBondContact O-N 2.75Å; S163-D165 PolarHBondContact OG-OD1 2.83Å
164R80.1Confident86.2Confident128 Ų12850.1 Ų50.148%0.48326%0.258SS..EExtended strand (participates in β ladder)trans-107.1130.9166.271.5-179.1-177.1-164.8-9.7107.9T158 L159 F262 N263T158-R164 WeakPolarHBondContact O-CA 3.38Å; L159-R164 HydrophobicContact CD1-CB 4.1Å; R164-F262 HydrophobicContact CB-CE1 4.13Å; R164-F262 HydrophobicContact CB-CZ 4.34Å; R164-F262 HydrophobicContact CG-CE1 4.49Å; R164-N263 PolarHBondContact NH1-ND2 3.11Å; R164-N263 PolarHBondContact NH1-OD1 3.1Å
165D83.6Confident85.9Confident73 Ų7352.2 Ų52.239%0.3927%0.271SS..EExtended strand (participates in β ladder)trans-125.4129.9178.4-59.9-34.8000109.2G157 T158 S163G157-D165 CarbonylContact C-O 3.58Å; G157-D165 WeakPolarHBondContact CA-O 3.41Å; T158-D165 PolarHBondContact N-O 2.97Å; T158-D165 PolarHBondContact O-N 2.92Å; S163-D165 PolarHBondContact OG-OD1 2.83Å
166I90Very high85.5Confident71 Ų7160.3 Ų60.336%0.36431%0.307SS..EExtended strand (participates in β ladder)trans-92113.2173.4-59.8165.2000107.1L155 E259 F262L155-I166 HydrophobicContact CD1-CD1 4.47Å; L155-I166 HydrophobicContact CD1-CG2 4.07Å; L155-I166 HydrophobicContact CD2-CG2 4.32Å; L155-I166 HydrophobicContact CG-CG2 4.03Å; I166-E259 HydrophobicContact CD1-CG 3.76Å; I166-F262 HydrophobicContact CG1-CD1 4.32Å; I166-F262 HydrophobicContact CG1-CE1 4.2Å
167L90.4Very high85Confident69 Ų6969 Ų6936%0.36134%0.344SS..EExtended strand (participates in β ladder)trans-79.1-49.1-177.3-61.9-179.7000111.4F156 T158 L210 F211F156-L167 PolarHBondContact O-N 3.1Å; T158-L167 HydrophobicContact CG2-CD1 3.68Å; T158-L167 HydrophobicContact CG2-CG 4.19Å; L167-L210 HydrophobicContact CB-CD1 4.29Å; L167-L210 HydrophobicContact CB-CD2 4.32Å; L167-L210 HydrophobicContact CD1-CB 4.2Å; L167-F211 HydrophobicContact CD1-CE1 4.07Å
168L93.1Very high84.5Confident74 Ų7473.4 Ų73.439%0.38737%0.365SS..EExtended strand (participates in β ladder)trans-153.8143.1-176.4-170.671.2000110.5F156 F170 T206 L210F156-L168 HydrophobicContact CD2-CB 4.43Å; F156-L168 PolarHBondContact N-O 3.2Å; F156-L168 PolarHBondContact O-N 2.66Å; L168-F170 HydrophobicContact CD2-CD1 4.33Å; L168-T206 HydrophobicContact CD2-CG2 3.46Å; L168-T206 VanDerWaalsContact CD2-CG2 3.46Å; L168-L210 HydrophobicContact CB-CD1 3.79Å; L168-L210 HydrophobicContact CD2-CD1 4.25Å
169K93.6Very high84Confident130 Ų13077.4 Ų77.457%0.56541%0.406SS*.EExtended strand (participates in β ladder)trans-132.6140.7166.960.7-176.3173.4-173.30109.9A154 L155 E259A154-K169 WeakPolarHBondContact O-CA 3.47Å; L155-K169 HydrophobicContact CG-CB 4.47Å; K169-E259 IonicContact NZ-OE1 3.83Å; K169-E259 PolarHBondContact NZ-OE1 2.91Å
170F93.9Very high83.7Confident31 Ų3187.7 Ų87.714%0.13645%0.445CS..EExtended strand (participates in β ladder)trans-143.1149.1170.765.2-103000111.1G153 A154 F156 L168 V172 Y199 K202 V203 T206G153-F170 CarbonylContact C-O 3.53Å; G153-F170 WeakPolarHBondContact CA-O 3.49Å; A154-F170 HydrophobicContact CB-CE1 4.28Å; A154-F170 HydrophobicContact CB-CE2 4.14Å; A154-F170 HydrophobicContact CB-CZ 3.91Å; A154-F170 PolarHBondContact N-O 3.26Å; A154-F170 PolarHBondContact O-N 3.09Å; F156-F170 HydrophobicContact CD2-CE1 4.5Å; F156-F170 HydrophobicContact CE2-CD1 4.21Å; F156-F170 AromaticContact CE2-CE1 3.54Å; F156-F170 HydrophobicContact CE2-CE1 3.54Å; F156-F170 HydrophobicContact CE2-CZ 4.29Å; F156-F170 HydrophobicContact CZ-CE1 4.25Å; L168-F170 HydrophobicContact CD2-CD1 4.33Å; F170-V172 HydrophobicContact CD2-CG2 3.76Å; F170-V172 HydrophobicContact CE2-CG2 3.68Å; F170-Y199 HydrophobicContact CE2-CD2 4.28Å; F170-Y199 AromaticContact CE2-CE2 3.87Å; F170-Y199 HydrophobicContact CE2-CE2 3.87Å; F170-Y199 HydrophobicContact CZ-CE2 4.45Å; F170-K202 HydrophobicContact CE2-CD 3.93Å; F170-K202 HydrophobicContact CE2-CG 4.31Å; F170-K202 HydrophobicContact CZ-CD 4.1Å; F170-K202 HydrophobicContact CZ-CG 3.98Å; F170-V203 HydrophobicContact CE2-CG2 4.34Å; F170-V203 HydrophobicContact CZ-CG2 3.71Å; F170-T206 HydrophobicContact CE1-CG2 4.16Å
171T93Very high83.6Confident126 Ų12686.2 Ų86.277%0.77345%0.447SS*.EExtended strand (participates in β ladder)trans-98.6153.8178.354.40000111.1N152N152-T171 CarbonylContact O-C 3.59Å; N152-T171 WeakPolarHBondContact O-CA 3.46Å
172V90.9Very high84.4Confident36 Ų3689.2 Ų89.222%0.21848%0.477CS..  trans-140.6137.8177.7-176.80000108.9N152 F170 L174 Y199N152-V172 CarbonylContact C-O 3.55Å; N152-V172 WeakPolarHBondContact CA-O 3.02Å; N152-V172 PolarHBondContact O-N 3.39Å; F170-V172 HydrophobicContact CD2-CG2 3.76Å; F170-V172 HydrophobicContact CE2-CG2 3.68Å; V172-L174 HydrophobicContact CG1-CD2 3.78Å; V172-L174 HydrophobicContact CG1-CG 3.91Å; V172-Y199 HydrophobicContact CB-CD2 4.14Å; V172-Y199 HydrophobicContact CB-CE2 4.19Å; V172-Y199 HydrophobicContact CG1-CD2 4.17Å; V172-Y199 HydrophobicContact CG1-CG 4.44Å; V172-Y199 HydrophobicContact CG2-CD2 3.56Å; V172-Y199 HydrophobicContact CG2-CE2 3.57Å
173D90.5Very high85.3Confident152 Ų15296.9 Ų96.981%0.81351%0.512SS*.  trans-102105.3171.7-172.718.5000110
174L88.9Confident86.2Confident18 Ų1897.6 Ų97.69%0.09452%0.517CS..PPolyproline II helixtrans-98.7133.9-178.6-67.6177.6000111.2V172 K176 K195 R196 Y199 F230V172-L174 HydrophobicContact CG1-CD2 3.78Å; V172-L174 HydrophobicContact CG1-CG 3.91Å; L174-K176 PolarHBondContact O-N 3.36Å; L174-K195 HydrophobicContact CD2-CB 4.17Å; L174-R196 HydrophobicContact CD1-CG 4.42Å; L174-Y199 HydrophobicContact CD1-CD1 3.84Å; L174-Y199 HydrophobicContact CD1-CE1 4.27Å; L174-Y199 HydrophobicContact CD1-CG 4.41Å; L174-F230 HydrophobicContact CD1-CE1 4.37Å; L174-F230 HydrophobicContact CD1-CE2 4.49Å; L174-F230 HydrophobicContact CD1-CZ 3.79Å
175P88.5Confident86.5Confident48 Ų4893.2 Ų93.231%0.31251%0.509SS..PPolyproline II helixtrans-55.8124.9176.8-23.531.8000112.1R192 K195P175-R192 HydrophobicContact CB-CB 4.31Å; P175-R192 PolarHBondContact O-NH1 3.37Å; P175-K195 HydrophobicContact CG-CB 4.26Å; P175-K195 HydrophobicContact CG-CG 4.07Å
176K86Confident86.6Confident174 Ų17496.9 Ų96.976%0.75753%0.527SS*.PPolyproline II helixtrans-68.4155.3-179.6-67.4-176-179.4179.10112.3L174 H178L174-K176 PolarHBondContact O-N 3.36Å; K176-H178 PolarHBondContact O-CD2 3.01Å; K176-H178 PolarHBondContact O-N 3.05Å
177K85.9Confident86.6Confident182 Ų182100.6 Ų100.679%0.79154%0.537SS*.PPolyproline II helixtrans-74.8118.4176.8-168.4176.9178.5-179.20106.2
178H81.1Confident86.4Confident93 Ų93100.8 Ų100.843%0.43154%0.535SS..  trans-129.9139.6172.555.273.2000109.7K176 R180 F188K176-H178 PolarHBondContact O-CD2 3.01Å; K176-H178 PolarHBondContact O-N 3.05Å; H178-R180 PolarHBondContact CE1-O 3.35Å; H178-R180 VanDerWaalsContact CE1-O 3.31Å; H178-R180 PolarHBondContact ND1-O 2.91Å; H178-F188 VanDerWaalsContact CE1-CB 3.43Å; H178-F188 WeakPolarHBondContact CE1-CB 3.39Å; H178-F188 AromaticContact CE1-CD2 3.54Å; H178-F188 AromaticContact CE1-CG 3.5Å; H178-F188 AromaticContact NE2-CG 3.99Å
179G78.5Confident86.2Confident84 Ų8499.7 Ų99.787%0.86654%0.536SS*.SBendtrans-82.7-2.8169.100000113.1
180R76.7Confident86Confident216 Ų216102.4 Ų102.482%0.81554%0.543SS*.  trans-82.5136.2178.7-63.7-178.3175.9161.2-1.1109.4H178H178-R180 PolarHBondContact CE1-O 3.35Å; H178-R180 VanDerWaalsContact CE1-O 3.31Å; H178-R180 PolarHBondContact ND1-O 2.91Å
181G74.1Confident85.9Confident33 Ų33103.9 Ų103.934%0.3455%0.552SS.*  trans152.8-13.6177.400000115.9Q183 S184 A185G181-Q183 PolarHBondContact O-N 2.79Å; G181-S184 WeakPolarHBondContact O-CA 3.33Å; G181-S184 WeakPolarHBondContact O-CB 3.46Å; G181-S184 PolarHBondContact O-N 2.91Å; G181-A185 PolarHBondContact O-N 2.94Å
182G83.4Confident85.7Confident68 Ų68100.1 Ų100.170%0.70152%0.524SS*.G310 helixtrans51.5-125.7-179.400000111.4S184 A185G182-S184 PolarHBondContact O-N 3.18Å; G182-A185 WeakPolarHBondContact O-CB 3.2Å; G182-A185 PolarHBondContact O-N 2.96Å; G182-A185 VanDerWaalsContact O-N 3.09Å
183Q83.1Confident85.6Confident187 Ų187103.9 Ų103.987%0.87454%0.542SS*.G310 helixtrans-58.9-29.9175.1-65.6-66.2-5.900113.6G181 A185G181-Q183 PolarHBondContact O-N 2.79Å; Q183-A185 VanDerWaalsContact C-N 3.3Å; Q183-A185 PolarHBondContact O-N 3.33Å
184S85.3Confident85.7Confident56 Ų56101.6 Ų101.639%0.39253%0.527SS..G310 helixtrans-82.4-3.7179.2-61.80000113.6G181 G182 L186 R187 F188G181-S184 WeakPolarHBondContact O-CA 3.33Å; G181-S184 WeakPolarHBondContact O-CB 3.46Å; G181-S184 PolarHBondContact O-N 2.91Å; G182-S184 PolarHBondContact O-N 3.18Å; S184-L186 VanDerWaalsContact C-N 3.3Å; S184-L186 PolarHBondContact O-N 3.38Å; S184-R187 WeakPolarHBondContact O-CB 3.39Å; S184-R187 PolarHBondContact O-N 3.24Å; S184-R187 VanDerWaalsContact O-N 3.1Å; S184-F188 WeakPolarHBondContact O-CD2 3.4Å; S184-F188 PolarHBondContact O-N 3.05Å
185A85.2Confident85.8Confident37 Ų37106.2 Ų106.231%0.30655%0.546SS..Hα-helixtrans-57.8-41.5-178.500000112.3G181 G182 Q183 R187 F188 A189G181-A185 PolarHBondContact O-N 2.94Å; G182-A185 WeakPolarHBondContact O-CB 3.2Å; G182-A185 PolarHBondContact O-N 2.96Å; G182-A185 VanDerWaalsContact O-N 3.09Å; Q183-A185 VanDerWaalsContact C-N 3.3Å; Q183-A185 PolarHBondContact O-N 3.33Å; A185-R187 PolarHBondContact O-N 3.07Å; A185-F188 PolarHBondContact O-N 3.33Å; A185-A189 WeakPolarHBondContact O-CB 3.48Å; A185-A189 PolarHBondContact O-N 2.93Å
186L86.7Confident85.9Confident149 Ų149106.7 Ų106.778%0.7854%0.542SS*.Hα-helixtrans-62.5-40.3176.2-74.8166.2000112.1S184 A189 R190S184-L186 VanDerWaalsContact C-N 3.3Å; S184-L186 PolarHBondContact O-N 3.38Å; L186-A189 PolarHBondContact O-N 3.27Å; L186-R190 PolarHBondContact O-N 2.83Å
187R89Confident86.2Confident150 Ų150102.4 Ų102.457%0.56652%0.524SS*.Hα-helixtrans-64.4-44.2176.6179.1-179.5172.1-90.20.4111.3S184 A185 R190 L191S184-R187 WeakPolarHBondContact O-CB 3.39Å; S184-R187 PolarHBondContact O-N 3.24Å; S184-R187 VanDerWaalsContact O-N 3.1Å; A185-R187 PolarHBondContact O-N 3.07Å; R187-R190 PolarHBondContact O-N 3.47Å; R187-L191 HydrophobicContact CG-CD1 4.12Å; R187-L191 WeakPolarHBondContact O-CG 3.48Å; R187-L191 PolarHBondContact O-N 2.88Å
188F87.6Confident86.5Confident72 Ų7296.9 Ų96.932%0.31650%0.503SS..Hα-helixtrans-66.5-38.1178.4-65.1-54.8000112.4H178 S184 A185 L191 R192H178-F188 VanDerWaalsContact CE1-CB 3.43Å; H178-F188 WeakPolarHBondContact CE1-CB 3.39Å; H178-F188 AromaticContact CE1-CD2 3.54Å; H178-F188 AromaticContact CE1-CG 3.5Å; H178-F188 AromaticContact NE2-CG 3.99Å; S184-F188 WeakPolarHBondContact O-CD2 3.4Å; S184-F188 PolarHBondContact O-N 3.05Å; A185-F188 PolarHBondContact O-N 3.33Å; F188-L191 HydrophobicContact CD1-CD1 4.43Å; F188-L191 PolarHBondContact O-N 2.85Å; F188-R192 WeakPolarHBondContact O-CB 3.46Å; F188-R192 PolarHBondContact O-N 2.92Å
189A88Confident87.1Confident51 Ų5192.7 Ų92.742%0.42148%0.484SS..Hα-helixtrans-61-43.9172.100000111.6A185 L186 R192 L193A185-A189 WeakPolarHBondContact O-CB 3.48Å; A185-A189 PolarHBondContact O-N 2.93Å; L186-A189 PolarHBondContact O-N 3.27Å; A189-R192 PolarHBondContact O-N 2.82Å; A189-L193 WeakPolarHBondContact O-CG 3.49Å; A189-L193 PolarHBondContact O-N 2.86Å
190R89.8Confident87.7Confident188 Ų18888.9 Ų88.971%0.70944%0.443SS*.Hα-helixtrans-62.6-48.1175.9-173.9176.8176.7176.40.3112.4L186 R187 R192 L193 E194L186-R190 PolarHBondContact O-N 2.83Å; R187-R190 PolarHBondContact O-N 3.47Å; R190-R192 VanDerWaalsContact C-N 3.26Å; R190-R192 PolarHBondContact O-N 2.83Å; R190-L193 PolarHBondContact O-N 2.77Å; R190-E194 WeakPolarHBondContact O-CB 3.32Å; R190-E194 PolarHBondContact O-N 2.99Å
191L90.8Very high88.5Confident61 Ų6183.6 Ų83.632%0.31942%0.423SS..Hα-helixtrans-59.3-38.2176.9-76.9167.4000112.2R187 F188 K195R187-L191 HydrophobicContact CG-CD1 4.12Å; R187-L191 WeakPolarHBondContact O-CG 3.48Å; R187-L191 PolarHBondContact O-N 2.88Å; F188-L191 HydrophobicContact CD1-CD1 4.43Å; F188-L191 PolarHBondContact O-N 2.85Å; L191-K195 WeakPolarHBondContact O-CB 3.47Å; L191-K195 WeakPolarHBondContact O-CG 3.41Å; L191-K195 PolarHBondContact O-N 3.09Å
192R89.6Confident89.4Confident47 Ų4786.7 Ų86.718%0.17743%0.428CS..Hα-helixtrans-64.1-47.1175.3175176.2164.398-8.7111.6P175 F188 A189 R190 R196P175-R192 HydrophobicContact CB-CB 4.31Å; P175-R192 PolarHBondContact O-NH1 3.37Å; F188-R192 WeakPolarHBondContact O-CB 3.46Å; F188-R192 PolarHBondContact O-N 2.92Å; A189-R192 PolarHBondContact O-N 2.82Å; R190-R192 VanDerWaalsContact C-N 3.26Å; R190-R192 PolarHBondContact O-N 2.83Å; R192-R196 VanDerWaalsContact NH2-CZ 3.3Å; R192-R196 WeakPolarHBondContact O-CB 3.47Å; R192-R196 VanDerWaalsContact O-CG 3.27Å; R192-R196 WeakPolarHBondContact O-CG 3.46Å; R192-R196 PolarHBondContact O-N 2.77Å
193L89.4Confident89.9Confident115 Ų11583.5 Ų83.560%0.60239%0.394SS*.Hα-helixtrans-64.1-41177.4-71.7172.4000111.7A189 R190 R196 H197A189-L193 WeakPolarHBondContact O-CG 3.49Å; A189-L193 PolarHBondContact O-N 2.86Å; R190-L193 PolarHBondContact O-N 2.77Å; L193-R196 PolarHBondContact O-N 2.91Å; L193-H197 WeakPolarHBondContact O-CB 3.49Å; L193-H197 PolarHBondContact O-N 3.45Å
194E91.9Very high90.4Very high105 Ų10574.6 Ų74.649%0.49135%0.353SS..Hα-helixtrans-63.7-45.2177.9-171.3-178.9164.500112.1R190 R196 H197 N198R190-E194 WeakPolarHBondContact O-CB 3.32Å; R190-E194 PolarHBondContact O-N 2.99Å; E194-R196 VanDerWaalsContact C-N 3.34Å; E194-R196 PolarHBondContact O-N 2.86Å; E194-H197 PolarHBondContact O-N 2.86Å; E194-N198 WeakPolarHBondContact O-CB 3.44Å; E194-N198 VanDerWaalsContact O-CG 3.31Å; E194-N198 PolarHBondContact O-N 3.06Å; E194-N198 PolarHBondContact O-ND2 3.37Å
195K91.4Very high90.8Very high115 Ų11577.1 Ų77.150%0.536%0.358SS..Hα-helixtrans-64.1-37.7175.4-74.5-71.1-174.9178.10112.4L174 P175 L191 Y199L174-K195 HydrophobicContact CD2-CB 4.17Å; P175-K195 HydrophobicContact CG-CB 4.26Å; P175-K195 HydrophobicContact CG-CG 4.07Å; L191-K195 WeakPolarHBondContact O-CB 3.47Å; L191-K195 WeakPolarHBondContact O-CG 3.41Å; L191-K195 PolarHBondContact O-N 3.09Å; K195-Y199 WeakPolarHBondContact O-CB 3.44Å; K195-Y199 PolarHBondContact O-N 3.39Å
196R90.9Very high91.2Very high58 Ų5876 Ų7622%0.21935%0.348CS..Hα-helixtrans-64.7-46.1174-75.8178164.6-144.9-19.1111.7L174 R192 L193 E194 N198 Y199 V200 F230L174-R196 HydrophobicContact CD1-CG 4.42Å; R192-R196 VanDerWaalsContact NH2-CZ 3.3Å; R192-R196 WeakPolarHBondContact O-CB 3.47Å; R192-R196 VanDerWaalsContact O-CG 3.27Å; R192-R196 WeakPolarHBondContact O-CG 3.46Å; R192-R196 PolarHBondContact O-N 2.77Å; L193-R196 PolarHBondContact O-N 2.91Å; E194-R196 VanDerWaalsContact C-N 3.34Å; E194-R196 PolarHBondContact O-N 2.86Å; R196-N198 VanDerWaalsContact C-N 3.34Å; R196-N198 PolarHBondContact O-N 2.91Å; R196-Y199 WeakPolarHBondContact O-CB 3.27Å; R196-Y199 PolarHBondContact O-N 3.26Å; R196-Y199 VanDerWaalsContact O-N 3.11Å; R196-V200 WeakPolarHBondContact O-CG2 3.46Å; R196-V200 PolarHBondContact O-N 2.82Å; R196-F230 HydrophobicContact CB-CE1 4.14Å; R196-F230 HydrophobicContact CG-CE1 3.79Å; R196-F230 HydrophobicContact CG-CZ 3.95Å
197H91.4Very high91.6Very high84 Ų8468.9 Ų68.939%0.38931%0.31SS..Hα-helixtrans-59.8-43.9176.2-177.879.1000111.9L193 E194 Y199 V200 R201 M239L193-H197 WeakPolarHBondContact O-CB 3.49Å; L193-H197 PolarHBondContact O-N 3.45Å; E194-H197 PolarHBondContact O-N 2.86Å; H197-Y199 VanDerWaalsContact C-N 3.29Å; H197-Y199 PolarHBondContact O-N 3.37Å; H197-V200 PolarHBondContact O-N 3.5Å; H197-R201 PolarHBondContact CD2-NH2 2.72Å; H197-R201 PolarHBondContact NE2-NH2 2.86Å; H197-R201 PolarHBondContact O-N 3.39Å; H197-M239 PolarHBondContact CE1-SD 3.02Å
198N92.3Very high91.7Very high65 Ų6563.7 Ų63.735%0.34830%0.296SS..Hα-helixtrans-64.4-33.4175.1-71.2-25.3000112.7E194 R196 K202E194-N198 WeakPolarHBondContact O-CB 3.44Å; E194-N198 VanDerWaalsContact O-CG 3.31Å; E194-N198 PolarHBondContact O-N 3.06Å; E194-N198 PolarHBondContact O-ND2 3.37Å; R196-N198 VanDerWaalsContact C-N 3.34Å; R196-N198 PolarHBondContact O-N 2.91Å; N198-K202 WeakPolarHBondContact O-CB 3.48Å; N198-K202 PolarHBondContact O-N 3.09Å
199Y93Very high92Very high6 Ų667.4 Ų67.42%0.02431%0.314CS..Hα-helixtrans-66.9-47.6174.1172.5-129.1000112M149 D150 G153 A154 F170 V172 L174 K195 R196 H197 R201 K202 V203 F230M149-Y199 HydrophobicContact CE-CD1 4.36Å; M149-Y199 HydrophobicContact CE-CE1 3.93Å; D150-Y199 WeakPolarHBondContact O-CE1 3.25Å; D150-Y199 PolarHBondContact O-OH 2.83Å; G153-Y199 PolarHBondContact O-OH 3.37Å; A154-Y199 HydrophobicContact CB-CE2 4.22Å; A154-Y199 PolarHBondContact N-OH 2.97Å; F170-Y199 HydrophobicContact CE2-CD2 4.28Å; F170-Y199 AromaticContact CE2-CE2 3.87Å; F170-Y199 HydrophobicContact CE2-CE2 3.87Å; F170-Y199 HydrophobicContact CZ-CE2 4.45Å; V172-Y199 HydrophobicContact CB-CD2 4.14Å; V172-Y199 HydrophobicContact CB-CE2 4.19Å; V172-Y199 HydrophobicContact CG1-CD2 4.17Å; V172-Y199 HydrophobicContact CG1-CG 4.44Å; V172-Y199 HydrophobicContact CG2-CD2 3.56Å; V172-Y199 HydrophobicContact CG2-CE2 3.57Å; L174-Y199 HydrophobicContact CD1-CD1 3.84Å; L174-Y199 HydrophobicContact CD1-CE1 4.27Å; L174-Y199 HydrophobicContact CD1-CG 4.41Å; K195-Y199 WeakPolarHBondContact O-CB 3.44Å; K195-Y199 PolarHBondContact O-N 3.39Å; R196-Y199 WeakPolarHBondContact O-CB 3.27Å; R196-Y199 PolarHBondContact O-N 3.26Å; R196-Y199 VanDerWaalsContact O-N 3.11Å; H197-Y199 VanDerWaalsContact C-N 3.29Å; H197-Y199 PolarHBondContact O-N 3.37Å; Y199-R201 VanDerWaalsContact C-N 3.29Å; Y199-R201 PolarHBondContact O-N 3.01Å; Y199-K202 PolarHBondContact O-N 3.17Å; Y199-V203 HydrophobicContact CD2-CG2 3.9Å; Y199-V203 HydrophobicContact CE2-CG2 3.52Å; Y199-V203 WeakPolarHBondContact O-CG2 3.41Å; Y199-V203 PolarHBondContact O-N 3.24Å; Y199-F230 HydrophobicContact CD1-CE1 4.35Å
200V92.5Very high92.1Very high3 Ų367 Ų672%0.01831%0.305CS..Hα-helixtrans-58.7-42.9175.1178.90000110.5M149 R196 H197 V203 A204 L234 M239M149-V200 HydrophobicContact CE-CG2 4.34Å; R196-V200 WeakPolarHBondContact O-CG2 3.46Å; R196-V200 PolarHBondContact O-N 2.82Å; H197-V200 PolarHBondContact O-N 3.5Å; V200-V203 PolarHBondContact O-N 2.96Å; V200-A204 WeakPolarHBondContact O-CB 3.47Å; V200-A204 PolarHBondContact O-N 3.31Å; V200-L234 HydrophobicContact CG1-CB 4.28Å; V200-L234 HydrophobicContact CG1-CD1 3.74Å; V200-M239 HydrophobicContact CB-CE 3.94Å; V200-M239 HydrophobicContact CG1-CE 3.52Å
201R92.8Very high92.3Very high105 Ų10558.1 Ų58.140%0.39627%0.271SS..Hα-helixtrans-58.8-50174.4-173.4-177-57.3175.82.4112.4H197 Y199 V203 A204 E205 M239H197-R201 PolarHBondContact CD2-NH2 2.72Å; H197-R201 PolarHBondContact NE2-NH2 2.86Å; H197-R201 PolarHBondContact O-N 3.39Å; Y199-R201 VanDerWaalsContact C-N 3.29Å; Y199-R201 PolarHBondContact O-N 3.01Å; R201-V203 VanDerWaalsContact C-N 3.28Å; R201-V203 PolarHBondContact O-N 3.13Å; R201-A204 PolarHBondContact O-N 3.41Å; R201-E205 HydrophobicContact CG-CG 4.41Å; R201-E205 WeakPolarHBondContact CG-OE1 3.46Å; R201-E205 WeakPolarHBondContact O-CG 3.39Å; R201-E205 PolarHBondContact O-N 3.03Å; R201-M239 HydrophobicContact CB-SD 3.87Å; R201-M239 HydrophobicContact CG-SD 4.4Å
202K93.6Very high92.2Very high99 Ų9956.1 Ų56.143%0.4326%0.261SS..Hα-helixtrans-59-41.7178.7-176.7177.6177.9-178.60111.4F170 N198 Y199 T206F170-K202 HydrophobicContact CE2-CD 3.93Å; F170-K202 HydrophobicContact CE2-CG 4.31Å; F170-K202 HydrophobicContact CZ-CD 4.1Å; F170-K202 HydrophobicContact CZ-CG 3.98Å; N198-K202 WeakPolarHBondContact O-CB 3.48Å; N198-K202 PolarHBondContact O-N 3.09Å; Y199-K202 PolarHBondContact O-N 3.17Å; K202-T206 VanDerWaalsContact O-CB 3.3Å; K202-T206 WeakPolarHBondContact O-CB 3.44Å; K202-T206 PolarHBondContact O-N 3.44Å; K202-T206 PolarHBondContact O-OG1 2.95Å
203V93.9Very high92.1Very high0 Ų057.4 Ų57.40%028%0.275CS..Hα-helixtrans-65-44176.9170.10000111I147 M149 A154 F156 F170 Y199 V200 R201 T206 A207 L234I147-V203 HydrophobicContact CG2-CG1 3.88Å; M149-V203 HydrophobicContact CE-CB 4.25Å; M149-V203 HydrophobicContact CE-CG1 4.11Å; M149-V203 HydrophobicContact CE-CG2 4.13Å; M149-V203 HydrophobicContact CG-CG1 4.17Å; M149-V203 HydrophobicContact SD-CG1 4.04Å; A154-V203 HydrophobicContact CB-CG2 3.7Å; F156-V203 HydrophobicContact CE1-CG1 4.3Å; F156-V203 HydrophobicContact CZ-CB 4.35Å; F156-V203 HydrophobicContact CZ-CG1 3.82Å; F156-V203 WeakPolarHBondContact CZ-O 3.35Å; F170-V203 HydrophobicContact CE2-CG2 4.34Å; F170-V203 HydrophobicContact CZ-CG2 3.71Å; Y199-V203 HydrophobicContact CD2-CG2 3.9Å; Y199-V203 HydrophobicContact CE2-CG2 3.52Å; Y199-V203 WeakPolarHBondContact O-CG2 3.41Å; Y199-V203 PolarHBondContact O-N 3.24Å; V200-V203 PolarHBondContact O-N 2.96Å; R201-V203 VanDerWaalsContact C-N 3.28Å; R201-V203 PolarHBondContact O-N 3.13Å; V203-T206 PolarHBondContact O-N 2.84Å; V203-A207 WeakPolarHBondContact O-CB 3.4Å; V203-A207 PolarHBondContact O-N 3.39Å; V203-L234 HydrophobicContact CG1-CD1 4.18Å; V203-L234 HydrophobicContact CG1-CD2 3.82Å
204A93.9Very high91.8Very high1 Ų159.1 Ų59.11%0.00828%0.284CS..Hα-helixtrans-62.2-47.6177.200000112.4V200 R201 T206 A207 V208 L234 M239 L240V200-A204 WeakPolarHBondContact O-CB 3.47Å; V200-A204 PolarHBondContact O-N 3.31Å; R201-A204 PolarHBondContact O-N 3.41Å; A204-T206 VanDerWaalsContact C-N 3.34Å; A204-T206 PolarHBondContact O-N 3.07Å; A204-A207 WeakPolarHBondContact O-CB 3.26Å; A204-A207 PolarHBondContact O-N 3.48Å; A204-V208 WeakPolarHBondContact O-CG2 3.46Å; A204-V208 PolarHBondContact O-N 3.4Å; A204-V208 VanDerWaalsContact O-N 3.11Å; A204-L234 HydrophobicContact CB-CD1 3.91Å; A204-M239 HydrophobicContact CB-CB 4.33Å; A204-M239 WeakPolarHBondContact CB-O 3.49Å; A204-L240 HydrophobicContact CB-CD1 4.29Å
205E93.4Very high91.3Very high108 Ų10860 Ų6051%0.50529%0.293SS..Hα-helixtrans-62-42177.6-72.1171.9-176.700111.8R201 A207 V208 Q209R201-E205 HydrophobicContact CG-CG 4.41Å; R201-E205 WeakPolarHBondContact CG-OE1 3.46Å; R201-E205 WeakPolarHBondContact O-CG 3.39Å; R201-E205 PolarHBondContact O-N 3.03Å; E205-A207 VanDerWaalsContact C-N 3.34Å; E205-V208 PolarHBondContact O-N 2.78Å; E205-Q209 WeakPolarHBondContact O-CG 3.27Å; E205-Q209 PolarHBondContact O-N 3Å; E205-Q209 VanDerWaalsContact O-N 3.11Å
206T94Very high91Very high13 Ų1362 Ų628%0.0830%0.301CS..Hα-helixtrans-65.6-38.1176.4-54.60000111.5F156 L168 F170 K202 V203 A204 V208 Q209 L210F156-T206 HydrophobicContact CD2-CG2 4.07Å; F156-T206 HydrophobicContact CE1-CG2 4.3Å; F156-T206 HydrophobicContact CE2-CG2 3.68Å; F156-T206 HydrophobicContact CZ-CG2 3.78Å; L168-T206 HydrophobicContact CD2-CG2 3.46Å; L168-T206 VanDerWaalsContact CD2-CG2 3.46Å; F170-T206 HydrophobicContact CE1-CG2 4.16Å; K202-T206 VanDerWaalsContact O-CB 3.3Å; K202-T206 WeakPolarHBondContact O-CB 3.44Å; K202-T206 PolarHBondContact O-N 3.44Å; K202-T206 PolarHBondContact O-OG1 2.95Å; V203-T206 PolarHBondContact O-N 2.84Å; A204-T206 VanDerWaalsContact C-N 3.34Å; A204-T206 PolarHBondContact O-N 3.07Å; T206-V208 VanDerWaalsContact C-N 3.3Å; T206-V208 PolarHBondContact O-N 3.21Å; T206-Q209 PolarHBondContact O-N 3.39Å; T206-L210 HydrophobicContact CG2-CD1 3.89Å; T206-L210 HydrophobicContact CG2-CG 4.43Å; T206-L210 WeakPolarHBondContact O-CG 3.5Å; T206-L210 PolarHBondContact O-N 3.15Å; T206-L210 VanDerWaalsContact O-N 3.09Å
207A93.5Very high90.8Very high0 Ų061.1 Ų61.10%030%0.303CS..Hα-helixtrans-60.1-41.4175.500000111.4I147 F156 V203 A204 E205 L210 F211 L240 L244I147-A207 HydrophobicContact CD1-CB 3.7Å; F156-A207 HydrophobicContact CE1-CB 3.9Å; V203-A207 WeakPolarHBondContact O-CB 3.4Å; V203-A207 PolarHBondContact O-N 3.39Å; A204-A207 WeakPolarHBondContact O-CB 3.26Å; A204-A207 PolarHBondContact O-N 3.48Å; E205-A207 VanDerWaalsContact C-N 3.34Å; A207-L210 PolarHBondContact O-N 3.26Å; A207-F211 HydrophobicContact CB-CD2 4.26Å; A207-F211 WeakPolarHBondContact O-CB 3.38Å; A207-F211 WeakPolarHBondContact O-CD2 3.39Å; A207-F211 PolarHBondContact O-N 3.25Å; A207-L240 HydrophobicContact CB-CD1 4.33Å; A207-L244 HydrophobicContact CB-CD1 4.04Å
208V92.9Very high90.6Very high42 Ų4259.8 Ų59.826%0.25530%0.299SS..Hα-helixtrans-64.3-45.5176.7177.40000110.9A204 E205 T206 L210 V212 D241 L244A204-V208 WeakPolarHBondContact O-CG2 3.46Å; A204-V208 PolarHBondContact O-N 3.4Å; A204-V208 VanDerWaalsContact O-N 3.11Å; E205-V208 PolarHBondContact O-N 2.78Å; T206-V208 VanDerWaalsContact C-N 3.3Å; T206-V208 PolarHBondContact O-N 3.21Å; V208-L210 PolarHBondContact O-N 2.83Å; V208-V212 HydrophobicContact CG1-CB 4.29Å; V208-V212 HydrophobicContact CG1-CG2 4.2Å; V208-V212 VanDerWaalsContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CB 3.48Å; V208-V212 PolarHBondContact O-N 2.77Å; V208-D241 HydrophobicContact CG2-CB 3.52Å; V208-L244 HydrophobicContact CG2-CD1 4.14Å
209Q92.1Very high90.3Very high149 Ų14957 Ų5770%0.69628%0.284SS*.Hα-helixtrans-60.5-33.1178.9-70.1175.42.300113.2E205 T206E205-Q209 WeakPolarHBondContact O-CG 3.27Å; E205-Q209 PolarHBondContact O-N 3Å; E205-Q209 VanDerWaalsContact O-N 3.11Å; T206-Q209 PolarHBondContact O-N 3.39Å
210L91.9Very high89.8Confident44 Ų4458.9 Ų58.923%0.2330%0.298CS..Hα-helixtrans-93.4-41.2-176-66.2174.8000113.6F156 L167 L168 T206 A207 V208 N218F156-L210 HydrophobicContact CB-CD1 3.52Å; F156-L210 HydrophobicContact CD1-CD1 4.01Å; F156-L210 HydrophobicContact CD2-CD1 4.16Å; F156-L210 HydrophobicContact CG-CD1 3.62Å; L167-L210 HydrophobicContact CB-CD1 4.29Å; L167-L210 HydrophobicContact CB-CD2 4.32Å; L167-L210 HydrophobicContact CD1-CB 4.2Å; L168-L210 HydrophobicContact CB-CD1 3.79Å; L168-L210 HydrophobicContact CD2-CD1 4.25Å; T206-L210 HydrophobicContact CG2-CD1 3.89Å; T206-L210 HydrophobicContact CG2-CG 4.43Å; T206-L210 WeakPolarHBondContact O-CG 3.5Å; T206-L210 PolarHBondContact O-N 3.15Å; T206-L210 VanDerWaalsContact O-N 3.09Å; A207-L210 PolarHBondContact O-N 3.26Å; V208-L210 PolarHBondContact O-N 2.83Å; L210-N218 PolarHBondContact O-ND2 2.86Å
211F92.8Very high89.6Confident0 Ų058.8 Ų58.80%030%0.297CS..Hα-helixtrans-99.6-5.6-172.7-62.1-54.6000114.3I147 F156 T158 L167 A207 P217 N218 V219 L222 L244I147-F211 HydrophobicContact CD1-CD2 4.39Å; I147-F211 HydrophobicContact CD1-CE2 3.98Å; I147-F211 HydrophobicContact CG1-CE2 3.66Å; I147-F211 HydrophobicContact CG1-CZ 4.44Å; F156-F211 AromaticContact CD1-CE2 3.91Å; F156-F211 HydrophobicContact CD1-CE2 3.91Å; F156-F211 HydrophobicContact CD1-CZ 4.48Å; T158-F211 HydrophobicContact CG2-CD1 4.4Å; T158-F211 HydrophobicContact CG2-CE1 3.67Å; L167-F211 HydrophobicContact CD1-CE1 4.07Å; A207-F211 HydrophobicContact CB-CD2 4.26Å; A207-F211 WeakPolarHBondContact O-CB 3.38Å; A207-F211 WeakPolarHBondContact O-CD2 3.39Å; A207-F211 PolarHBondContact O-N 3.25Å; F211-P217 CarbonylContact O-C 3.51Å; F211-P217 VanDerWaalsContact O-CA 3.26Å; F211-P217 WeakPolarHBondContact O-CA 3.45Å; F211-N218 WeakPolarHBondContact CA-OD1 3.27Å; F211-N218 PolarHBondContact O-N 3.18Å; F211-N218 PolarHBondContact O-OD1 2.97Å; F211-N218 VanDerWaalsContact O-OD1 3.11Å; F211-V219 HydrophobicContact CB-CG2 4.26Å; F211-V219 HydrophobicContact CD1-CG1 3.71Å; F211-V219 HydrophobicContact CD1-CG2 4.32Å; F211-V219 HydrophobicContact CE1-CG1 4.18Å; F211-V219 HydrophobicContact CG-CG2 4.45Å; F211-L222 HydrophobicContact CD2-CD1 3.93Å; F211-L222 HydrophobicContact CE2-CD1 3.75Å; F211-L222 HydrophobicContact CZ-CD1 4.21Å; F211-L244 HydrophobicContact CB-CD1 4.33Å; F211-L244 HydrophobicContact CB-CD2 3.68Å
212V89.9Confident89.6Confident19 Ų1953.8 Ų53.812%0.11528%0.279CS..EExtended strand (participates in β ladder)trans-114.4121.8174.3-174.20000109.1V208 L244V208-V212 HydrophobicContact CG1-CB 4.29Å; V208-V212 HydrophobicContact CG1-CG2 4.2Å; V208-V212 VanDerWaalsContact O-CB 3.27Å; V208-V212 WeakPolarHBondContact O-CB 3.48Å; V208-V212 PolarHBondContact O-N 2.77Å; V212-L244 HydrophobicContact CG2-CD1 4.15Å; V212-L244 HydrophobicContact CG2-CD2 3.97Å; V212-L244 HydrophobicContact CG2-CG 3.99Å
213T86.9Confident89.5Confident75 Ų7549 Ų4946%0.4626%0.258SS..EExtended strand (participates in β ladder)trans-131.9129.2176.4-48.70000108.1D215 K216 N218T213-D215 PolarHBondContact O-N 2.73Å; T213-K216 PolarHBondContact N-O 3.21Å; T213-K216 PolarHBondContact O-N 2.91Å; T213-N218 PolarHBondContact OG1-ND2 3.15Å; T213-N218 VanDerWaalsContact OG1-ND2 3.1Å
214N83.1Confident89.5Confident151 Ų15149.1 Ų49.181%0.80726%0.259SS*.THydrogen-bonded Turntrans52.449.2-176.5-58.2-29.4000113.2K216N214-K216 PolarHBondContact O-N 2.78Å
215D82Confident89.6Confident124 Ų12449.1 Ų49.166%0.66326%0.258SS*.THydrogen-bonded Turntrans60.18-179.9-72-49.4000117.3T213 R243T213-D215 PolarHBondContact O-N 2.73Å; D215-R243 VanDerWaalsContact C-NH1 3.33Å; D215-R243 VanDerWaalsContact CA-NH1 3.28Å; D215-R243 PolarHBondContact O-NH1 3.11Å; D215-R243 IonicContact OD1-NH1 3.27Å; D215-R243 PolarHBondContact OD1-NH1 3.17Å; D215-R243 VanDerWaalsContact OD1-NH1 3.13Å
216K84.1Confident89.5Confident155 Ų15544 Ų4467%0.67423%0.234SC*.EExtended strand (participates in β ladder)trans-121.2143.2177.4-66.3-178.4-177.41780110.6T213 N214 N218T213-K216 PolarHBondContact N-O 3.21Å; T213-K216 PolarHBondContact O-N 2.91Å; N214-K216 PolarHBondContact O-N 2.78Å; K216-N218 PolarHBondContact O-N 3.11Å
217P87Confident89Confident41 Ų4144.9 Ų44.927%0.26624%0.241SC..EExtended strand (participates in β ladder)trans-63127.1171.426.2-32000109.3F211 V219 L244 K247F211-P217 CarbonylContact O-C 3.51Å; F211-P217 VanDerWaalsContact O-CA 3.26Å; F211-P217 WeakPolarHBondContact O-CA 3.45Å; P217-V219 PolarHBondContact O-N 3.17Å; P217-L244 HydrophobicContact CB-CD2 4.26Å; P217-K247 HydrophobicContact CG-CG 4.37Å
218N86.5Confident88.6Confident56 Ų5648 Ų4830%0.29927%0.266SS..SBendtrans-82.60.9178.166.517.8000112.9L210 F211 T213 K216L210-N218 PolarHBondContact O-ND2 2.86Å; F211-N218 WeakPolarHBondContact CA-OD1 3.27Å; F211-N218 PolarHBondContact O-N 3.18Å; F211-N218 PolarHBondContact O-OD1 2.97Å; F211-N218 VanDerWaalsContact O-OD1 3.11Å; T213-N218 PolarHBondContact OG1-ND2 3.15Å; T213-N218 VanDerWaalsContact OG1-ND2 3.1Å; K216-N218 PolarHBondContact O-N 3.11Å
219V86.2Confident88.3Confident5 Ų551.4 Ų51.43%0.0328%0.283CS..SBendtrans-115.3141177.1-69.40000110.9K143 T158 F211 P217 G221K143-V219 HydrophobicContact CG-CG1 4.22Å; K143-V219 CarbonylContact O-C 3.6Å; K143-V219 WeakPolarHBondContact O-CA 3.36Å; T158-V219 HydrophobicContact CG2-CG1 4.49Å; F211-V219 HydrophobicContact CB-CG2 4.26Å; F211-V219 HydrophobicContact CD1-CG1 3.71Å; F211-V219 HydrophobicContact CD1-CG2 4.32Å; F211-V219 HydrophobicContact CE1-CG1 4.18Å; F211-V219 HydrophobicContact CG-CG2 4.45Å; P217-V219 PolarHBondContact O-N 3.17Å; V219-G221 VanDerWaalsContact C-N 3.29Å
220S83.7Confident88Confident47 Ų4744.8 Ų44.833%0.32925%0.252SS..SBendtrans-69.7-29.6173.962.10000112.3K143 F144K143-S220 PolarHBondContact O-N 3Å; K143-S220 PolarHBondContact O-OG 2.9Å; F144-S220 WeakPolarHBondContact CE1-OG 3.46Å
221G88.3Confident87.9Confident0 Ų042.9 Ų42.90%024%0.242CC..EExtended strand (participates in β ladder)trans-160.8162175.900000113F144 G145 V219 K247F144-G221 CarbonylContact C-O 3.57Å; F144-G221 WeakPolarHBondContact CA-O 3.28Å; G145-G221 PolarHBondContact N-O 2.63Å; V219-G221 VanDerWaalsContact C-N 3.29Å; G221-K247 CarbonylContact C-O 3.55Å; G221-K247 WeakPolarHBondContact CA-O 3.45Å
222L91.6Very high87.7Confident0 Ų045.2 Ų45.20%026%0.257CS..EExtended strand (participates in β ladder)trans-125.5132.5-175.3-171.766000109.9G145 I147 F211 L224 L244 K247 I248 I249G145-L222 CarbonylContact O-C 3.56Å; G145-L222 WeakPolarHBondContact O-CA 3.46Å; I147-L222 HydrophobicContact CD1-CD1 4.01Å; I147-L222 HydrophobicContact CD1-CD2 3.99Å; I147-L222 HydrophobicContact CD1-CG 4.38Å; I147-L222 HydrophobicContact CG1-CD1 3.98Å; F211-L222 HydrophobicContact CD2-CD1 3.93Å; F211-L222 HydrophobicContact CE2-CD1 3.75Å; F211-L222 HydrophobicContact CZ-CD1 4.21Å; L222-L224 HydrophobicContact CD2-CD2 4.12Å; L222-L224 HydrophobicContact CG-CD2 4.24Å; L222-L244 HydrophobicContact CD2-CB 4.28Å; L222-K247 PolarHBondContact N-O 2.85Å; L222-I248 HydrophobicContact CD2-CG1 4.25Å; L222-I248 CarbonylContact O-C 3.51Å; L222-I248 WeakPolarHBondContact O-CA 3.39Å; L222-I249 PolarHBondContact O-N 3.43Å
223V92.5Very high87.7Confident0 Ų048.3 Ų48.30%027%0.27CS..EExtended strand (participates in β ladder)trans-111.3125.2173.8178.50000108.6G145 F146 I147 K250 V252 A269 L273G145-V223 PolarHBondContact O-N 2.86Å; F146-V223 WeakPolarHBondContact CA-O 3.36Å; F146-V223 HydrophobicContact CD1-CB 3.72Å; F146-V223 HydrophobicContact CD1-CG1 3.93Å; F146-V223 HydrophobicContact CD1-CG2 4.38Å; F146-V223 HydrophobicContact CE1-CB 3.81Å; F146-V223 HydrophobicContact CE1-CG1 3.92Å; F146-V223 HydrophobicContact CE1-CG2 4.02Å; F146-V223 HydrophobicContact CG-CB 4.29Å; F146-V223 HydrophobicContact CZ-CB 4.45Å; F146-V223 HydrophobicContact CZ-CG2 4.24Å; I147-V223 PolarHBondContact N-O 3.07Å; V223-K250 WeakPolarHBondContact CA-O 3.19Å; V223-V252 HydrophobicContact CG1-CG2 3.87Å; V223-A269 HydrophobicContact CG1-CB 4.01Å; V223-A269 HydrophobicContact CG2-CB 4.11Å; V223-L273 HydrophobicContact CG2-CD1 4.39Å; V223-L273 HydrophobicContact CG2-CD2 4.34Å
224L93.8Very high87.8Confident2 Ų244.8 Ų44.81%0.0125%0.248CC..EExtended strand (participates in β ladder)trans-98116.2174-58.3-174.9000108.6I147 L222 K231 L234 I248 K250 V251 V252I147-L224 HydrophobicContact CB-CD2 3.86Å; I147-L224 HydrophobicContact CD1-CD2 3.82Å; I147-L224 HydrophobicContact CG1-CD2 4.18Å; L222-L224 HydrophobicContact CD2-CD2 4.12Å; L222-L224 HydrophobicContact CG-CD2 4.24Å; L224-K231 HydrophobicContact CB-CB 4.25Å; L224-L234 HydrophobicContact CD2-CD2 4.02Å; L224-I248 HydrophobicContact CD1-CD1 3.75Å; L224-I248 HydrophobicContact CD1-CG1 4.26Å; L224-I248 HydrophobicContact CD1-CG2 4.38Å; L224-I248 HydrophobicContact CG-CD1 4.42Å; L224-I248 HydrophobicContact CG-CG1 4.4Å; L224-I248 HydrophobicContact CG-CG2 4.31Å; L224-K250 PolarHBondContact N-O 2.85Å; L224-K250 VanDerWaalsContact N-O 3.08Å; L224-V251 HydrophobicContact CB-CG2 4.42Å; L224-V251 CarbonylContact O-C 3.52Å; L224-V251 VanDerWaalsContact O-CA 3.28Å; L224-V251 WeakPolarHBondContact O-CA 3.25Å; L224-V252 PolarHBondContact O-N 3.14Å
225A94.7Very high88.1Confident0 Ų038.2 Ų38.20%022%0.216CC..EExtended strand (participates in β ladder)trans-118151.4177.500000110.9I147 V148 M149 V252 V254 A265I147-A225 PolarHBondContact O-N 3.17Å; I147-A225 VanDerWaalsContact O-O 3.12Å; V148-A225 CarbonylContact C-O 3.37Å; V148-A225 VanDerWaalsContact CA-O 3.31Å; V148-A225 WeakPolarHBondContact CA-O 3.48Å; V148-A225 HydrophobicContact CG2-CB 4.27Å; M149-A225 PolarHBondContact N-O 2.85Å; A225-V252 VanDerWaalsContact CA-O 3.27Å; A225-V252 WeakPolarHBondContact CA-O 3.3Å; A225-V252 HydrophobicContact CB-CB 4.29Å; A225-V254 HydrophobicContact CB-CG1 4.23Å; A225-V254 HydrophobicContact CB-CG2 4.34Å; A225-A265 HydrophobicContact CB-CB 3.43Å; A225-A265 VanDerWaalsContact CB-CB 3.43Å
226G91.7Very high88.3Confident0 Ų039.4 Ų39.40%022%0.218CC..EExtended strand (participates in β ladder)trans167170.3174.200000114.2M149 K231 V252 V254M149-G226 WeakPolarHBondContact O-CA 3.48Å; G226-K231 PolarHBondContact O-NZ 3.4Å; G226-V252 PolarHBondContact N-O 2.99Å; G226-V252 VanDerWaalsContact N-O 3.12Å; G226-V254 PolarHBondContact O-N 3Å
227S84.4Confident88.3Confident33 Ų3332.8 Ų32.823%0.23119%0.191CC..SBendtrans-86.7142.9171.369.10000110.1M149 D150M149-S227 PolarHBondContact O-N 2.97Å; D150-S227 PolarHBondContact OD1-OG 2.82Å
228A83.8Confident88.2Confident64 Ų6438.8 Ų38.853%0.52922%0.221SC..THydrogen-bonded Turntrans57.1-162.4-178.700000114.4F230 K231A228-F230 VanDerWaalsContact C-N 3.29Å; A228-F230 PolarHBondContact O-N 3.16Å; A228-K231 PolarHBondContact O-NZ 3.04Å
229D86.8Confident88.3Confident114 Ų11439 Ų3961%0.6122%0.221SC*.THydrogen-bonded Turntrans-80.81.6-169.3-57-43.5000114.7K231 T232 E233D229-K231 VanDerWaalsContact C-N 3.29Å; D229-K231 PolarHBondContact O-N 3.32Å; D229-T232 WeakPolarHBondContact O-CA 3.43Å; D229-T232 WeakPolarHBondContact O-CB 3.26Å; D229-T232 PolarHBondContact O-N 3.03Å; D229-E233 PolarHBondContact O-N 2.8Å
230F87.4Confident88.4Confident10 Ų1038.9 Ų38.94%0.04422%0.22CC..Hα-helixtrans-58.4-39.5-176.7-81.9-61.6000113.4M149 L174 R196 Y199 A228 T232 E233 L234M149-F230 HydrophobicContact CB-CB 4.43Å; M149-F230 HydrophobicContact CE-CB 4.14Å; L174-F230 HydrophobicContact CD1-CE1 4.37Å; L174-F230 HydrophobicContact CD1-CE2 4.49Å; L174-F230 HydrophobicContact CD1-CZ 3.79Å; R196-F230 HydrophobicContact CB-CE1 4.14Å; R196-F230 HydrophobicContact CG-CE1 3.79Å; R196-F230 HydrophobicContact CG-CZ 3.95Å; Y199-F230 HydrophobicContact CD1-CE1 4.35Å; A228-F230 VanDerWaalsContact C-N 3.29Å; A228-F230 PolarHBondContact O-N 3.16Å; F230-T232 VanDerWaalsContact C-N 3.32Å; F230-E233 PolarHBondContact O-N 3.43Å; F230-L234 PolarHBondContact O-N 3.02Å
231K89.4Confident88.7Confident4 Ų438.3 Ų38.32%0.01721%0.214CC..Hα-helixtrans-67.5-33.7175.762.1-174.1177.9-760112.5L224 G226 A228 D229 L234 G235 V251 V252 D253L224-K231 HydrophobicContact CB-CB 4.25Å; G226-K231 PolarHBondContact O-NZ 3.4Å; A228-K231 PolarHBondContact O-NZ 3.04Å; D229-K231 VanDerWaalsContact C-N 3.29Å; D229-K231 PolarHBondContact O-N 3.32Å; K231-L234 PolarHBondContact O-N 2.96Å; K231-G235 PolarHBondContact O-N 3.41Å; K231-V251 HydrophobicContact CB-CG1 4.26Å; K231-V251 HydrophobicContact CD-CG1 3.44Å; K231-V251 VanDerWaalsContact CD-CG1 3.44Å; K231-V251 HydrophobicContact CG-CG1 3.61Å; K231-V252 WeakPolarHBondContact CD-O 3.44Å; K231-V252 VanDerWaalsContact CE-O 3.23Å; K231-V252 WeakPolarHBondContact CE-O 3.25Å; K231-D253 WeakPolarHBondContact CE-OD1 3.31Å; K231-D253 IonicContact NZ-OD1 3.73Å; K231-D253 PolarHBondContact NZ-OD1 3.46Å
232T89.2Confident88.7Confident50 Ų5045.9 Ų45.931%0.30725%0.249SC..Hα-helixtrans-70.8-44.1176.5-47.80000110D229 F230 L234 G235 Q236D229-T232 WeakPolarHBondContact O-CA 3.43Å; D229-T232 WeakPolarHBondContact O-CB 3.26Å; D229-T232 PolarHBondContact O-N 3.03Å; F230-T232 VanDerWaalsContact C-N 3.32Å; T232-L234 VanDerWaalsContact C-N 3.33Å; T232-L234 PolarHBondContact O-N 3.42Å; T232-G235 PolarHBondContact O-N 3.34Å; T232-Q236 HydrophobicContact CG2-CG 4.48Å; T232-Q236 WeakPolarHBondContact O-CB 3.12Å; T232-Q236 WeakPolarHBondContact O-CG 3.39Å; T232-Q236 PolarHBondContact O-N 2.84Å
233E88.5Confident88.6Confident84 Ų8450 Ų5039%0.39327%0.265SS..Hα-helixtrans-57.8-45172.2-72-178.8-175.300110.9D229 F230 S237D229-E233 PolarHBondContact O-N 2.8Å; F230-E233 PolarHBondContact O-N 3.43Å; E233-S237 WeakPolarHBondContact O-CB 3.34Å; E233-S237 PolarHBondContact O-N 3.46Å; E233-S237 PolarHBondContact O-OG 2.92Å
234L89.8Confident88.5Confident0 Ų050 Ų500%027%0.265CS..Hα-helixtrans-62.6-48.4177-176.371.9000111.9I147 M149 V200 V203 A204 L224 F230 K231 T232 Q236 S237 L240I147-L234 HydrophobicContact CD1-CD2 4.39Å; I147-L234 HydrophobicContact CG2-CD2 4.14Å; M149-L234 HydrophobicContact CE-CB 4.49Å; M149-L234 HydrophobicContact SD-CB 3.73Å; M149-L234 HydrophobicContact SD-CD2 3.55Å; M149-L234 VanDerWaalsContact SD-CD2 3.55Å; M149-L234 HydrophobicContact SD-CG 4.15Å; V200-L234 HydrophobicContact CG1-CB 4.28Å; V200-L234 HydrophobicContact CG1-CD1 3.74Å; V203-L234 HydrophobicContact CG1-CD1 4.18Å; V203-L234 HydrophobicContact CG1-CD2 3.82Å; A204-L234 HydrophobicContact CB-CD1 3.91Å; L224-L234 HydrophobicContact CD2-CD2 4.02Å; F230-L234 PolarHBondContact O-N 3.02Å; K231-L234 PolarHBondContact O-N 2.96Å; T232-L234 VanDerWaalsContact C-N 3.33Å; T232-L234 PolarHBondContact O-N 3.42Å; L234-Q236 VanDerWaalsContact C-N 3.33Å; L234-Q236 PolarHBondContact O-N 3.31Å; L234-S237 PolarHBondContact O-N 2.87Å; L234-S237 PolarHBondContact O-OG 2.87Å; L234-L240 HydrophobicContact CD1-CD1 4.42Å
235G88.4Confident88.3Confident14 Ų1453.1 Ų53.114%0.14428%0.279CS..Hα-helixtrans-68.8-27.5-176.600000114.5K231 T232 Q245K231-G235 PolarHBondContact O-N 3.41Å; T232-G235 PolarHBondContact O-N 3.34Å; G235-Q245 PolarHBondContact O-NE2 3.38Å
236Q87.4Confident87.9Confident148 Ų14857.3 Ų57.369%0.69231%0.313SS*.Hα-helixtrans-94.7-12.1176.6-66.5178.6-5.600113.3T232 L234T232-Q236 HydrophobicContact CG2-CG 4.48Å; T232-Q236 WeakPolarHBondContact O-CB 3.12Å; T232-Q236 WeakPolarHBondContact O-CG 3.39Å; T232-Q236 PolarHBondContact O-N 2.84Å; L234-Q236 VanDerWaalsContact C-N 3.33Å; L234-Q236 PolarHBondContact O-N 3.31Å
237S83.6Confident87.7Confident17 Ų1761.3 Ų61.312%0.11933%0.331CS..  trans-73.9140.9-178.167.30000112.6E233 L234 M239 L240E233-S237 WeakPolarHBondContact O-CB 3.34Å; E233-S237 PolarHBondContact O-N 3.46Å; E233-S237 PolarHBondContact O-OG 2.92Å; L234-S237 PolarHBondContact O-N 2.87Å; L234-S237 PolarHBondContact O-OG 2.87Å; S237-M239 PolarHBondContact O-N 3.43Å; S237-M239 VanDerWaalsContact O-N 3.1Å; S237-L240 PolarHBondContact O-N 3.47Å
238D85.6Confident88Confident166 Ų16661.8 Ų61.889%0.88833%0.33SS*.THydrogen-bonded Turntrans-66.6-5.1168.5-57.1-37.9000113.1
239M87.7Confident88.1Confident60 Ų6062.2 Ų62.230%0.29632%0.323SS..THydrogen-bonded Turntrans-79.9-25.1179.7-65.7-177-75.600112.5H197 V200 R201 A204 S237H197-M239 PolarHBondContact CE1-SD 3.02Å; V200-M239 HydrophobicContact CB-CE 3.94Å; V200-M239 HydrophobicContact CG1-CE 3.52Å; R201-M239 HydrophobicContact CB-SD 3.87Å; R201-M239 HydrophobicContact CG-SD 4.4Å; A204-M239 HydrophobicContact CB-CB 4.33Å; A204-M239 WeakPolarHBondContact CB-O 3.49Å; S237-M239 PolarHBondContact O-N 3.43Å; S237-M239 VanDerWaalsContact O-N 3.1Å
240L88Confident88.3Confident4 Ų459.8 Ų59.82%0.02131%0.307CS..SBendtrans-77.7135.5175.5-171.467.4000109A204 A207 L234 S237 Q242 L244 Q245 I248A204-L240 HydrophobicContact CB-CD1 4.29Å; A207-L240 HydrophobicContact CB-CD1 4.33Å; L234-L240 HydrophobicContact CD1-CD1 4.42Å; S237-L240 PolarHBondContact O-N 3.47Å; L240-Q242 PolarHBondContact O-N 3.05Å; L240-L244 HydrophobicContact CD1-CB 4.49Å; L240-L244 HydrophobicContact CD1-CD1 4.45Å; L240-L244 HydrophobicContact CG-CB 4.44Å; L240-Q245 HydrophobicContact CD2-CB 4.25Å; L240-I248 HydrophobicContact CD2-CD1 3.96Å
241D89.8Confident88.5Confident35 Ų3562.4 Ų62.419%0.18732%0.324CS..  trans-57.1128176.6-173.1-36.6000110.2V208 R243 L244 Q245V208-D241 HydrophobicContact CG2-CB 3.52Å; D241-R243 PolarHBondContact O-N 3.25Å; D241-R243 VanDerWaalsContact O-N 3.07Å; D241-R243 VanDerWaalsContact OD1-CB 3.29Å; D241-R243 WeakPolarHBondContact OD1-CB 3.28Å; D241-R243 WeakPolarHBondContact OD1-CG 3.49Å; D241-R243 PolarHBondContact OD1-N 3.27Å; D241-R243 IonicContact OD1-NE 3.87Å; D241-R243 PolarHBondContact OD1-NE 2.89Å; D241-R243 VanDerWaalsContact OD1-NE 3.17Å; D241-R243 IonicContact OD2-CZ 3.94Å; D241-R243 IonicContact OD2-NE 2.89Å; D241-R243 PolarHBondContact OD2-NE 2.94Å; D241-R243 VanDerWaalsContact OD2-NE 3.09Å; D241-R243 IonicContact OD2-NH2 2.87Å; D241-R243 PolarHBondContact OD2-NH2 2.86Å; D241-L244 HydrophobicContact CB-CG 4.5Å; D241-L244 WeakPolarHBondContact O-CA 3.32Å; D241-L244 PolarHBondContact O-N 3.21Å; D241-Q245 PolarHBondContact O-N 2.91Å
242Q89.1Confident88.6Confident158 Ų15862.5 Ų62.574%0.73833%0.325SS*.Hα-helixtrans-54.1-31.7-178.3-65.71772.500112.1L240 L244 Q245 A246L240-Q242 PolarHBondContact O-N 3.05Å; Q242-L244 VanDerWaalsContact C-N 3.34Å; Q242-L244 PolarHBondContact O-N 3.1Å; Q242-Q245 PolarHBondContact O-N 2.89Å; Q242-A246 WeakPolarHBondContact O-CB 3.29Å; Q242-A246 PolarHBondContact O-N 2.84Å
243R89.4Confident88.8Confident88 Ų8865.8 Ų65.833%0.33234%0.34SS..Hα-helixtrans-64-37.9176.5-62.5177.6-72.7-168.5-5.2112.3D215 D241 K247D215-R243 VanDerWaalsContact C-NH1 3.33Å; D215-R243 VanDerWaalsContact CA-NH1 3.28Å; D215-R243 PolarHBondContact O-NH1 3.11Å; D215-R243 IonicContact OD1-NH1 3.27Å; D215-R243 PolarHBondContact OD1-NH1 3.17Å; D215-R243 VanDerWaalsContact OD1-NH1 3.13Å; D241-R243 PolarHBondContact O-N 3.25Å; D241-R243 VanDerWaalsContact O-N 3.07Å; D241-R243 VanDerWaalsContact OD1-CB 3.29Å; D241-R243 WeakPolarHBondContact OD1-CB 3.28Å; D241-R243 WeakPolarHBondContact OD1-CG 3.49Å; D241-R243 PolarHBondContact OD1-N 3.27Å; D241-R243 IonicContact OD1-NE 3.87Å; D241-R243 PolarHBondContact OD1-NE 2.89Å; D241-R243 VanDerWaalsContact OD1-NE 3.17Å; D241-R243 IonicContact OD2-CZ 3.94Å; D241-R243 IonicContact OD2-NE 2.89Å; D241-R243 PolarHBondContact OD2-NE 2.94Å; D241-R243 VanDerWaalsContact OD2-NE 3.09Å; D241-R243 IonicContact OD2-NH2 2.87Å; D241-R243 PolarHBondContact OD2-NH2 2.86Å; R243-K247 WeakPolarHBondContact O-CG 3.27Å
244L90.4Very high88.9Confident0 Ų062 Ų620%032%0.323CS..Hα-helixtrans-80.2-37.5176.7-67.1-180000111.2A207 V208 F211 V212 P217 L222 L240 D241 Q242 A246 K247 I248A207-L244 HydrophobicContact CB-CD1 4.04Å; V208-L244 HydrophobicContact CG2-CD1 4.14Å; F211-L244 HydrophobicContact CB-CD1 4.33Å; F211-L244 HydrophobicContact CB-CD2 3.68Å; V212-L244 HydrophobicContact CG2-CD1 4.15Å; V212-L244 HydrophobicContact CG2-CD2 3.97Å; V212-L244 HydrophobicContact CG2-CG 3.99Å; P217-L244 HydrophobicContact CB-CD2 4.26Å; L222-L244 HydrophobicContact CD2-CB 4.28Å; L240-L244 HydrophobicContact CD1-CB 4.49Å; L240-L244 HydrophobicContact CD1-CD1 4.45Å; L240-L244 HydrophobicContact CG-CB 4.44Å; D241-L244 HydrophobicContact CB-CG 4.5Å; D241-L244 WeakPolarHBondContact O-CA 3.32Å; D241-L244 PolarHBondContact O-N 3.21Å; Q242-L244 VanDerWaalsContact C-N 3.34Å; Q242-L244 PolarHBondContact O-N 3.1Å; L244-A246 VanDerWaalsContact C-N 3.3Å; L244-A246 PolarHBondContact O-N 2.82Å; L244-K247 CarbonylContact O-C 3.57Å; L244-K247 WeakPolarHBondContact O-CA 3.35Å; L244-K247 WeakPolarHBondContact O-CB 3.44Å; L244-K247 PolarHBondContact O-N 2.82Å; L244-I248 PolarHBondContact O-N 2.91Å
245Q88.6Confident88.8Confident67 Ų6766.1 Ų66.131%0.31335%0.352SS..Hα-helixtrans-59.4-42177.6-163.1179.614.300111.6G235 L240 D241 Q242 K247 I248G235-Q245 PolarHBondContact O-NE2 3.38Å; L240-Q245 HydrophobicContact CD2-CB 4.25Å; D241-Q245 PolarHBondContact O-N 2.91Å; Q242-Q245 PolarHBondContact O-N 2.89Å; Q245-K247 PolarHBondContact O-N 2.83Å; Q245-K247 VanDerWaalsContact O-N 3.15Å; Q245-I248 HydrophobicContact CB-CD1 4.49Å; Q245-I248 HydrophobicContact CG-CD1 4.1Å; Q245-I248 WeakPolarHBondContact O-CG1 3.4Å; Q245-I248 PolarHBondContact O-N 3.02Å
246A86.9Confident88.5Confident87 Ų8773.2 Ų73.272%0.71938%0.375SS*.THydrogen-bonded Turntrans-65.1-14.3174.600000114.2Q242 L244Q242-A246 WeakPolarHBondContact O-CB 3.29Å; Q242-A246 PolarHBondContact O-N 2.84Å; L244-A246 VanDerWaalsContact C-N 3.3Å; L244-A246 PolarHBondContact O-N 2.82Å
247K88Confident88.3Confident84 Ų8467.1 Ų67.137%0.36535%0.352SS..THydrogen-bonded Turntrans-101.62.2179.8-68.3-66.4-172.1176.50113.2P217 G221 L222 R243 L244 Q245 I249P217-K247 HydrophobicContact CG-CG 4.37Å; G221-K247 CarbonylContact C-O 3.55Å; G221-K247 WeakPolarHBondContact CA-O 3.45Å; L222-K247 PolarHBondContact N-O 2.85Å; R243-K247 WeakPolarHBondContact O-CG 3.27Å; L244-K247 CarbonylContact O-C 3.57Å; L244-K247 WeakPolarHBondContact O-CA 3.35Å; L244-K247 WeakPolarHBondContact O-CB 3.44Å; L244-K247 PolarHBondContact O-N 2.82Å; Q245-K247 PolarHBondContact O-N 2.83Å; Q245-K247 VanDerWaalsContact O-N 3.15Å; K247-I249 PolarHBondContact O-N 2.93Å
248I89.3Confident88.4Confident44 Ų4468 Ų6823%0.22636%0.364CS..EExtended strand (participates in β ladder)trans-68.4115.8176.4-61.4167000109.1L222 L224 L240 L244 Q245 V251L222-I248 HydrophobicContact CD2-CG1 4.25Å; L222-I248 CarbonylContact O-C 3.51Å; L222-I248 WeakPolarHBondContact O-CA 3.39Å; L224-I248 HydrophobicContact CD1-CD1 3.75Å; L224-I248 HydrophobicContact CD1-CG1 4.26Å; L224-I248 HydrophobicContact CD1-CG2 4.38Å; L224-I248 HydrophobicContact CG-CD1 4.42Å; L224-I248 HydrophobicContact CG-CG1 4.4Å; L224-I248 HydrophobicContact CG-CG2 4.31Å; L240-I248 HydrophobicContact CD2-CD1 3.96Å; L244-I248 PolarHBondContact O-N 2.91Å; Q245-I248 HydrophobicContact CB-CD1 4.49Å; Q245-I248 HydrophobicContact CG-CD1 4.1Å; Q245-I248 WeakPolarHBondContact O-CG1 3.4Å; Q245-I248 PolarHBondContact O-N 3.02Å; I248-V251 HydrophobicContact CG2-CG2 4.26Å
249I87.8Confident88.5Confident72 Ų7264.2 Ų64.237%0.36934%0.341SS..EExtended strand (participates in β ladder)trans-89.1-48.3179.2-64.1-177.7000110.6F144 L222 K247 A272 L273F144-I249 HydrophobicContact CD1-CD1 3.86Å; F144-I249 HydrophobicContact CE1-CD1 3.52Å; L222-I249 PolarHBondContact O-N 3.43Å; K247-I249 PolarHBondContact O-N 2.93Å; I249-A272 HydrophobicContact CG2-CB 3.64Å; I249-L273 HydrophobicContact CD1-CD2 4.44Å
250K89.6Confident88.6Confident63 Ų6367 Ų6727%0.27436%0.357SS..EExtended strand (participates in β ladder)trans-148.2144.4-173.8-164.1172.2-176.3179.50110.7V223 L224 V252 L268 D271 A272V223-K250 WeakPolarHBondContact CA-O 3.19Å; L224-K250 PolarHBondContact N-O 2.85Å; L224-K250 VanDerWaalsContact N-O 3.08Å; K250-V252 HydrophobicContact CD-CG2 4.16Å; K250-V252 HydrophobicContact CG-CG2 4.01Å; K250-L268 PolarHBondContact NZ-O 3.4Å; K250-D271 IonicContact NZ-OD2 2.7Å; K250-A272 HydrophobicContact CB-CB 4.14Å; K250-A272 HydrophobicContact CD-CB 3.82Å
251V91.6Very high88.7Confident66 Ų6666.8 Ų66.840%0.436%0.356SS..EExtended strand (participates in β ladder)trans-106.4126.4169.5-176.90000107.3L224 K231 I248L224-V251 HydrophobicContact CB-CG2 4.42Å; L224-V251 CarbonylContact O-C 3.52Å; L224-V251 VanDerWaalsContact O-CA 3.28Å; L224-V251 WeakPolarHBondContact O-CA 3.25Å; K231-V251 HydrophobicContact CB-CG1 4.26Å; K231-V251 HydrophobicContact CD-CG1 3.44Å; K231-V251 VanDerWaalsContact CD-CG1 3.44Å; K231-V251 HydrophobicContact CG-CG1 3.61Å; I248-V251 HydrophobicContact CG2-CG2 4.26Å
252V91.9Very high88.7Confident6 Ų665.2 Ų65.24%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-122.5127.2-170.8-179.70000110.8V223 L224 A225 G226 K231 K250 V254 L268 A269V223-V252 HydrophobicContact CG1-CG2 3.87Å; L224-V252 PolarHBondContact O-N 3.14Å; A225-V252 VanDerWaalsContact CA-O 3.27Å; A225-V252 WeakPolarHBondContact CA-O 3.3Å; A225-V252 HydrophobicContact CB-CB 4.29Å; G226-V252 PolarHBondContact N-O 2.99Å; G226-V252 VanDerWaalsContact N-O 3.12Å; K231-V252 WeakPolarHBondContact CD-O 3.44Å; K231-V252 VanDerWaalsContact CE-O 3.23Å; K231-V252 WeakPolarHBondContact CE-O 3.25Å; K250-V252 HydrophobicContact CD-CG2 4.16Å; K250-V252 HydrophobicContact CG-CG2 4.01Å; V252-V254 HydrophobicContact CG1-CG1 4.03Å; V252-L268 HydrophobicContact CG1-CB 3.51Å; V252-L268 HydrophobicContact CG1-CD1 3.58Å; V252-L268 HydrophobicContact CG1-CG 4.21Å; V252-A269 HydrophobicContact CG2-CB 4.3Å
253D92.5Very high88.6Confident118 Ų11860.3 Ų60.363%0.63133%0.326SS*.EExtended strand (participates in β ladder)trans-78.4118.8169.3-68.2-61.9000110K231 L268K231-D253 WeakPolarHBondContact CE-OD1 3.31Å; K231-D253 IonicContact NZ-OD1 3.73Å; K231-D253 PolarHBondContact NZ-OD1 3.46Å; D253-L268 WeakPolarHBondContact O-CD1 3.35Å
254V91.4Very high88.6Confident5 Ų558.9 Ų58.93%0.0332%0.323CS..  trans-118.3143.9173.1-64.60000110.4V148 A225 G226 V252 Y256 Q264 A265 L268V148-V254 HydrophobicContact CG1-CG2 4.36Å; A225-V254 HydrophobicContact CB-CG1 4.23Å; A225-V254 HydrophobicContact CB-CG2 4.34Å; G226-V254 PolarHBondContact O-N 3Å; V252-V254 HydrophobicContact CG1-CG1 4.03Å; V254-Y256 WeakPolarHBondContact CG2-O 3.35Å; V254-Q264 HydrophobicContact CG1-CB 4.14Å; V254-Q264 HydrophobicContact CG1-CG 4.2Å; V254-A265 HydrophobicContact CG1-CB 3.98Å; V254-L268 HydrophobicContact CG1-CD1 4.5Å
255S86.9Confident88.6Confident87 Ų8758.9 Ų58.961%0.60832%0.323SS*.SBendtrans-76.5-28.1-176-55.10000112.4Q264S255-Q264 VanDerWaalsContact N-OE1 3.15Å
256Y82.9Confident88.5Confident162 Ų16256 Ų5664%0.63531%0.31SS*.SBendtrans-126.3147.8-175.4-55.9-75.3000110.6V254 G261V254-Y256 WeakPolarHBondContact CG2-O 3.35Å; Y256-G261 WeakPolarHBondContact O-CA 3.37Å
257G82.3Confident88.4Confident20 Ų2057 Ų5721%0.20630%0.3CS..  trans-83.9-179.8170.100000113.5G261G257-G261 PolarHBondContact O-N 3.09Å
258G86.9Confident88.4Confident35 Ų3556.6 Ų56.636%0.36130%0.301SS..Hα-helixtrans71.1-148.8173.800000114.1G261 F262G258-G261 PolarHBondContact O-N 2.95Å; G258-F262 PolarHBondContact O-N 2.94Å
259E88.2Confident88.2Confident87 Ų8754.5 Ų54.541%0.40729%0.291SS..Hα-helixtrans-69.4-35.6-172.7-63178.8-167.800112.6L155 I166 K169 F262 N263L155-E259 HydrophobicContact CD1-CG 3.8Å; I166-E259 HydrophobicContact CD1-CG 3.76Å; K169-E259 IonicContact NZ-OE1 3.83Å; K169-E259 PolarHBondContact NZ-OE1 2.91Å; E259-F262 WeakPolarHBondContact O-CB 3.23Å; E259-F262 PolarHBondContact O-N 3Å; E259-N263 PolarHBondContact O-N 2.71Å; E259-N263 VanDerWaalsContact O-N 3.12Å; E259-N263 PolarHBondContact O-ND2 3.04Å
260N89.3Confident87.7Confident119 Ų11952.4 Ų52.464%0.63628%0.282SS*.Hα-helixtrans-66.3-43.2174.4-66.7-17.2000111.1F262 N263 Q264N260-F262 VanDerWaalsContact C-N 3.28Å; N260-F262 PolarHBondContact O-N 2.71Å; N260-N263 PolarHBondContact O-N 2.95Å; N260-Q264 PolarHBondContact O-N 2.87Å
261G89.1Confident87.1Confident0 Ų054.6 Ų54.60%030%0.297CS..Hα-helixtrans-60.6-37.2173.300000112.9Y256 G257 G258 Q264 A265Y256-G261 WeakPolarHBondContact O-CA 3.37Å; G257-G261 PolarHBondContact O-N 3.09Å; G258-G261 PolarHBondContact O-N 2.95Å; G261-Q264 PolarHBondContact O-N 3.16Å; G261-A265 VanDerWaalsContact O-CB 3.25Å; G261-A265 WeakPolarHBondContact O-CB 3.35Å; G261-A265 PolarHBondContact O-N 2.94Å
262F90.6Very high86.3Confident1 Ų153.4 Ų53.40%0.00429%0.294CS..Hα-helixtrans-63-42.7175.3178.5-132.3000112.4F146 V148 L155 R164 I166 G258 E259 N260 A265 I266F146-F262 HydrophobicContact CB-CD2 3.85Å; F146-F262 HydrophobicContact CB-CE2 3.47Å; F146-F262 VanDerWaalsContact CB-CE2 3.47Å; F146-F262 HydrophobicContact CD1-CD2 4.29Å; F146-F262 HydrophobicContact CD1-CE2 4.09Å; F146-F262 AromaticContact CD2-CE2 3.82Å; F146-F262 HydrophobicContact CD2-CE2 3.82Å; F146-F262 HydrophobicContact CG-CD2 4.08Å; F146-F262 AromaticContact CG-CE2 3.54Å; F146-F262 HydrophobicContact CG-CE2 3.54Å; V148-F262 HydrophobicContact CG2-CB 3.96Å; V148-F262 HydrophobicContact CG2-CD2 4.19Å; L155-F262 HydrophobicContact CD2-CB 4.04Å; L155-F262 HydrophobicContact CD2-CD1 4.29Å; L155-F262 HydrophobicContact CD2-CD2 4.26Å; L155-F262 HydrophobicContact CD2-CG 3.94Å; R164-F262 HydrophobicContact CB-CE1 4.13Å; R164-F262 HydrophobicContact CB-CZ 4.34Å; R164-F262 HydrophobicContact CG-CE1 4.49Å; I166-F262 HydrophobicContact CG1-CD1 4.32Å; I166-F262 HydrophobicContact CG1-CE1 4.2Å; G258-F262 PolarHBondContact O-N 2.94Å; E259-F262 WeakPolarHBondContact O-CB 3.23Å; E259-F262 PolarHBondContact O-N 3Å; N260-F262 VanDerWaalsContact C-N 3.28Å; N260-F262 PolarHBondContact O-N 2.71Å; F262-A265 WeakPolarHBondContact O-CB 3.31Å; F262-A265 PolarHBondContact O-N 3.43Å; F262-I266 HydrophobicContact CD1-CD1 4.33Å; F262-I266 HydrophobicContact CD2-CD1 4.15Å; F262-I266 HydrophobicContact CD2-CG1 4.32Å; F262-I266 HydrophobicContact CE1-CD1 4.01Å; F262-I266 HydrophobicContact CE2-CD1 3.78Å; F262-I266 HydrophobicContact CE2-CG1 4.04Å; F262-I266 HydrophobicContact CG-CD1 4.41Å; F262-I266 HydrophobicContact CZ-CD1 3.73Å; F262-I266 HydrophobicContact CZ-CG1 4.45Å; F262-I266 WeakPolarHBondContact O-CG1 3.49Å; F262-I266 PolarHBondContact O-N 3.33Å
263N87.7Confident85.4Confident56 Ų5653.2 Ų53.230%0.29929%0.293SS..Hα-helixtrans-65.4-44.3176.5-64.1-25.1000112.2R164 E259 N260 A265 I266 E267R164-N263 PolarHBondContact NH1-ND2 3.11Å; R164-N263 PolarHBondContact NH1-OD1 3.1Å; E259-N263 PolarHBondContact O-N 2.71Å; E259-N263 VanDerWaalsContact O-N 3.12Å; E259-N263 PolarHBondContact O-ND2 3.04Å; N260-N263 PolarHBondContact O-N 2.95Å; N263-A265 VanDerWaalsContact C-N 3.28Å; N263-A265 PolarHBondContact O-N 3.02Å; N263-I266 PolarHBondContact O-N 3.33Å; N263-E267 PolarHBondContact O-N 3.29Å; N263-E267 VanDerWaalsContact O-N 3.1Å
264Q89Confident83.8Confident57 Ų5754.2 Ų54.227%0.26629%0.294SS..Hα-helixtrans-62.1-39.1175.5-167.9-178.51600111.4V254 S255 N260 G261 E267 L268V254-Q264 HydrophobicContact CG1-CB 4.14Å; V254-Q264 HydrophobicContact CG1-CG 4.2Å; S255-Q264 VanDerWaalsContact N-OE1 3.15Å; N260-Q264 PolarHBondContact O-N 2.87Å; G261-Q264 PolarHBondContact O-N 3.16Å; Q264-E267 PolarHBondContact O-N 2.8Å; Q264-L268 HydrophobicContact CG-CD1 3.98Å; Q264-L268 HydrophobicContact CG-CG 4.46Å; Q264-L268 WeakPolarHBondContact O-CB 3.45Å; Q264-L268 WeakPolarHBondContact O-CG 3.41Å; Q264-L268 PolarHBondContact O-N 2.93Å
265A90.5Very high82.2Confident0 Ų060.4 Ų60.40%033%0.327CS..Hα-helixtrans-63-42.5176.700000112.2F146 A225 V254 G261 F262 N263 E267 A269F146-A265 HydrophobicContact CD1-CB 4.23Å; F146-A265 HydrophobicContact CE1-CB 4.42Å; A225-A265 HydrophobicContact CB-CB 3.43Å; A225-A265 VanDerWaalsContact CB-CB 3.43Å; V254-A265 HydrophobicContact CG1-CB 3.98Å; G261-A265 VanDerWaalsContact O-CB 3.25Å; G261-A265 WeakPolarHBondContact O-CB 3.35Å; G261-A265 PolarHBondContact O-N 2.94Å; F262-A265 WeakPolarHBondContact O-CB 3.31Å; F262-A265 PolarHBondContact O-N 3.43Å; N263-A265 VanDerWaalsContact C-N 3.28Å; N263-A265 PolarHBondContact O-N 3.02Å; A265-E267 VanDerWaalsContact C-N 3.33Å; A265-A269 WeakPolarHBondContact O-CB 3.3Å; A265-A269 PolarHBondContact O-N 3.33Å
266I86.5Confident81.1Confident8 Ų856.3 Ų56.34%0.04130%0.298CS..Hα-helixtrans-60.3-45.7176-68.2163.5000110.3F146 L159 F262 N263 A269 S270 I279F146-I266 HydrophobicContact CD1-CG1 4.34Å; F146-I266 HydrophobicContact CE1-CB 4.39Å; F146-I266 HydrophobicContact CE1-CG1 3.75Å; F146-I266 HydrophobicContact CE2-CG1 4.19Å; F146-I266 HydrophobicContact CZ-CB 4.34Å; F146-I266 HydrophobicContact CZ-CG1 3.65Å; L159-I266 HydrophobicContact CD1-CD1 4.47Å; L159-I266 HydrophobicContact CD2-CG1 4.42Å; L159-I266 HydrophobicContact CD2-CG2 3.91Å; F262-I266 HydrophobicContact CD1-CD1 4.33Å; F262-I266 HydrophobicContact CD2-CD1 4.15Å; F262-I266 HydrophobicContact CD2-CG1 4.32Å; F262-I266 HydrophobicContact CE1-CD1 4.01Å; F262-I266 HydrophobicContact CE2-CD1 3.78Å; F262-I266 HydrophobicContact CE2-CG1 4.04Å; F262-I266 HydrophobicContact CG-CD1 4.41Å; F262-I266 HydrophobicContact CZ-CD1 3.73Å; F262-I266 HydrophobicContact CZ-CG1 4.45Å; F262-I266 WeakPolarHBondContact O-CG1 3.49Å; F262-I266 PolarHBondContact O-N 3.33Å; N263-I266 PolarHBondContact O-N 3.33Å; I266-A269 PolarHBondContact O-N 2.61Å; I266-S270 PolarHBondContact O-N 3.08Å; I266-S270 VanDerWaalsContact O-N 3.16Å; I266-I279 HydrophobicContact CG2-CD1 4.39Å
267E84.4Confident80.4Confident107 Ų10750.6 Ų50.650%0.528%0.277SS..Hα-helixtrans-65.4-44.7-178.5-172.2161.5-126.800112.4N263 Q264 A265 A269 S270 K282N263-E267 PolarHBondContact O-N 3.29Å; N263-E267 VanDerWaalsContact O-N 3.1Å; Q264-E267 PolarHBondContact O-N 2.8Å; A265-E267 VanDerWaalsContact C-N 3.33Å; E267-A269 VanDerWaalsContact C-N 3.33Å; E267-A269 PolarHBondContact O-N 3.35Å; E267-S270 WeakPolarHBondContact O-CB 3.42Å; E267-S270 PolarHBondContact O-N 2.87Å; E267-S270 PolarHBondContact O-OG 2.96Å; E267-K282 IonicContact OE1-NZ 2.73Å; E267-K282 PolarHBondContact OE1-NZ 3.22Å
268L87.2Confident79.7Confident76 Ų7650.8 Ų50.840%0.39827%0.272SS..Hα-helixtrans-73.5-23.8176.7-68.6173.5000113.3K250 V252 D253 V254 Q264 S270K250-L268 PolarHBondContact NZ-O 3.4Å; V252-L268 HydrophobicContact CG1-CB 3.51Å; V252-L268 HydrophobicContact CG1-CD1 3.58Å; V252-L268 HydrophobicContact CG1-CG 4.21Å; D253-L268 WeakPolarHBondContact O-CD1 3.35Å; V254-L268 HydrophobicContact CG1-CD1 4.5Å; Q264-L268 HydrophobicContact CG-CD1 3.98Å; Q264-L268 HydrophobicContact CG-CG 4.46Å; Q264-L268 WeakPolarHBondContact O-CB 3.45Å; Q264-L268 WeakPolarHBondContact O-CG 3.41Å; Q264-L268 PolarHBondContact O-N 2.93Å; L268-S270 VanDerWaalsContact C-N 3.3Å
269A85.4Confident78.9Confident0 Ų050.4 Ų50.40%026%0.261CS..Hα-helixtrans-82.2-8.7175.300000113.2F146 V223 V252 A265 I266 E267 D271 A272 L273F146-A269 HydrophobicContact CE1-CB 4.17Å; V223-A269 HydrophobicContact CG1-CB 4.01Å; V223-A269 HydrophobicContact CG2-CB 4.11Å; V252-A269 HydrophobicContact CG2-CB 4.3Å; A265-A269 WeakPolarHBondContact O-CB 3.3Å; A265-A269 PolarHBondContact O-N 3.33Å; I266-A269 PolarHBondContact O-N 2.61Å; E267-A269 VanDerWaalsContact C-N 3.33Å; E267-A269 PolarHBondContact O-N 3.35Å; A269-D271 VanDerWaalsContact C-N 3.27Å; A269-D271 PolarHBondContact O-N 2.97Å; A269-D271 VanDerWaalsContact O-N 3.16Å; A269-A272 PolarHBondContact O-N 3.35Å; A269-L273 HydrophobicContact CB-CD1 3.58Å; A269-L273 HydrophobicContact CB-CG 4.13Å; A269-L273 WeakPolarHBondContact O-CB 3.48Å; A269-L273 VanDerWaalsContact O-CG 3.31Å; A269-L273 WeakPolarHBondContact O-CG 3.38Å; A269-L273 PolarHBondContact O-N 3.35Å
270S76.9Confident78.3Confident27 Ų2750 Ų5019%0.18926%0.259CS..THydrogen-bonded Turntrans-45-47.3-179.555.20000114.6I266 E267 L268 A272 L273 Q274I266-S270 PolarHBondContact O-N 3.08Å; I266-S270 VanDerWaalsContact O-N 3.16Å; E267-S270 WeakPolarHBondContact O-CB 3.42Å; E267-S270 PolarHBondContact O-N 2.87Å; E267-S270 PolarHBondContact O-OG 2.96Å; L268-S270 VanDerWaalsContact C-N 3.3Å; S270-A272 PolarHBondContact O-N 3.22Å; S270-L273 CarbonylContact O-C 3.47Å; S270-L273 PolarHBondContact O-N 3.37Å; S270-L273 VanDerWaalsContact O-N 3.09Å; S270-Q274 PolarHBondContact O-N 2.95Å
271D78.1Confident77.9Confident109 Ų10945 Ų4558%0.58323%0.232SC*.THydrogen-bonded Turntrans-63.2-27.8-178.2-58.2-35.1000114K250 A269 Q274K250-D271 IonicContact NZ-OD2 2.7Å; A269-D271 VanDerWaalsContact C-N 3.27Å; A269-D271 PolarHBondContact O-N 2.97Å; A269-D271 VanDerWaalsContact O-N 3.16Å; D271-Q274 VanDerWaalsContact O-CG 3.25Å; D271-Q274 WeakPolarHBondContact O-CG 3.01Å; D271-Q274 PolarHBondContact O-NE2 2.99Å; D271-Q274 VanDerWaalsContact O-NE2 3.14Å
272A75Confident77.5Confident42 Ų4247.5 Ų47.535%0.34724%0.243SC..THydrogen-bonded Turntrans-96.3-15.6177.800000112.4I249 K250 A269 S270I249-A272 HydrophobicContact CG2-CB 3.64Å; K250-A272 HydrophobicContact CB-CB 4.14Å; K250-A272 HydrophobicContact CD-CB 3.82Å; A269-A272 PolarHBondContact O-N 3.35Å; S270-A272 PolarHBondContact O-N 3.22Å
273L72.2Confident77.3Confident2 Ų255.1 Ų55.11%0.0128%0.276CS..  trans-100.126.4177.3-63.4175.8000111.3F144 F146 L159 V223 I249 A269 S270 N275 V276 I279F144-L273 HydrophobicContact CB-CD2 4.19Å; F144-L273 HydrophobicContact CD1-CD2 3.24Å; F144-L273 HydrophobicContact CD2-CD2 3.98Å; F144-L273 HydrophobicContact CE1-CD2 3.44Å; F144-L273 VanDerWaalsContact CE1-CD2 3.44Å; F144-L273 HydrophobicContact CE2-CD2 4.15Å; F144-L273 HydrophobicContact CG-CD2 3.52Å; F144-L273 HydrophobicContact CZ-CD2 3.89Å; F146-L273 HydrophobicContact CE1-CD1 4.35Å; F146-L273 HydrophobicContact CE2-CD1 4.3Å; F146-L273 HydrophobicContact CZ-CD1 3.53Å; L159-L273 HydrophobicContact CD2-CD1 4.44Å; V223-L273 HydrophobicContact CG2-CD1 4.39Å; V223-L273 HydrophobicContact CG2-CD2 4.34Å; I249-L273 HydrophobicContact CD1-CD2 4.44Å; A269-L273 HydrophobicContact CB-CD1 3.58Å; A269-L273 HydrophobicContact CB-CG 4.13Å; A269-L273 WeakPolarHBondContact O-CB 3.48Å; A269-L273 VanDerWaalsContact O-CG 3.31Å; A269-L273 WeakPolarHBondContact O-CG 3.38Å; A269-L273 PolarHBondContact O-N 3.35Å; S270-L273 CarbonylContact O-C 3.47Å; S270-L273 PolarHBondContact O-N 3.37Å; S270-L273 VanDerWaalsContact O-N 3.09Å; L273-N275 PolarHBondContact O-N 3.33Å; L273-V276 HydrophobicContact CB-CG2 3.85Å; L273-V276 WeakPolarHBondContact O-CB 3.01Å; L273-V276 WeakPolarHBondContact O-CG2 3.41Å; L273-V276 PolarHBondContact O-N 2.62Å; L273-I279 HydrophobicContact CB-CD1 4.07Å; L273-I279 HydrophobicContact CD1-CD1 4.34Å
274Q59Low77.3Confident138 Ų13853.6 Ų53.665%0.64527%0.268SS*.THydrogen-bonded Turntrans-47.6-19.4-170.6-84.6172.58.700115.8S270 D271 Q280S270-Q274 PolarHBondContact O-N 2.95Å; D271-Q274 VanDerWaalsContact O-CG 3.25Å; D271-Q274 WeakPolarHBondContact O-CG 3.01Å; D271-Q274 PolarHBondContact O-NE2 2.99Å; D271-Q274 VanDerWaalsContact O-NE2 3.14Å; Q274-Q280 PolarHBondContact O-NE2 3.29Å
275N58.5Low77.4Confident135 Ų13550.9 Ų50.972%0.72226%0.255SS*.THydrogen-bonded Turntrans-91.66.4176.6-65.1-20.2000115.1L273L273-N275 PolarHBondContact O-N 3.33Å
276V63.1Low77.3Confident2 Ų252.6 Ų52.61%0.01227%0.269CS..  trans-89.3113.3178.5-176.80000110.3F144 L159 G161 L273 F278 I279F144-V276 HydrophobicContact CD2-CG2 3.46Å; F144-V276 VanDerWaalsContact CD2-CG2 3.46Å; F144-V276 HydrophobicContact CE2-CG2 3.25Å; F144-V276 HydrophobicContact CZ-CG2 4.21Å; L159-V276 HydrophobicContact CD2-CG1 3.83Å; L159-V276 HydrophobicContact CD2-CG2 4.47Å; L159-V276 HydrophobicContact CG-CG1 4.11Å; G161-V276 WeakPolarHBondContact O-CG1 3.3Å; L273-V276 HydrophobicContact CB-CG2 3.85Å; L273-V276 WeakPolarHBondContact O-CB 3.01Å; L273-V276 WeakPolarHBondContact O-CG2 3.41Å; L273-V276 PolarHBondContact O-N 2.62Å; V276-F278 HydrophobicContact CG1-CB 3.93Å; V276-F278 PolarHBondContact O-N 3.27Å; V276-I279 HydrophobicContact CB-CD1 4.28Å; V276-I279 HydrophobicContact CB-CG1 4.33Å; V276-I279 HydrophobicContact CG1-CG1 4.37Å; V276-I279 PolarHBondContact O-N 3.36Å; V276-I279 VanDerWaalsContact O-N 3.11Å
277K68.4Low77.5Confident42 Ų4256.1 Ų56.118%0.18328%0.284CS..Hα-helixtrans-48.4-41.2177.8-68.6172.6179.11590113.2N9 M12 D141 N162 I279 Q280 E281N9-K277 WeakPolarHBondContact OD1-CE 3.27Å; M12-K277 VanDerWaalsContact CE-CE 3.43Å; M12-K277 VanDerWaalsContact CE-NZ 3.34Å; M12-K277 PolarHBondContact SD-NZ 3.02Å; D141-K277 IonicContact OD1-NZ 3.7Å; D141-K277 PolarHBondContact OD1-NZ 3.13Å; D141-K277 IonicContact OD2-NZ 3.49Å; N162-K277 VanDerWaalsContact OD1-CB 3.27Å; N162-K277 WeakPolarHBondContact OD1-CB 3.17Å; K277-I279 PolarHBondContact O-N 3.16Å; K277-Q280 PolarHBondContact O-N 3.32Å; K277-E281 WeakPolarHBondContact O-CB 3.31Å; K277-E281 PolarHBondContact O-N 2.91Å
278F67.9Low77.9Confident23 Ų2351 Ų5110%0.10126%0.261CS..Hα-helixtrans-54.9-39-179.2-168.6-108.8000113.8G161 N162 V276 K282G161-F278 VanDerWaalsContact O-CB 3.31Å; G161-F278 WeakPolarHBondContact O-CB 3.46Å; G161-F278 PolarHBondContact O-N 3.48Å; N162-F278 HydrophobicContact CB-CD2 4.07Å; N162-F278 WeakPolarHBondContact O-CD2 3.07Å; N162-F278 WeakPolarHBondContact OD1-CA 3.35Å; N162-F278 PolarHBondContact OD1-N 2.93Å; V276-F278 HydrophobicContact CG1-CB 3.93Å; V276-F278 PolarHBondContact O-N 3.27Å; F278-K282 WeakPolarHBondContact O-CB 3.48Å; F278-K282 PolarHBondContact O-N 2.55Å
279I70.6Confident78.1Confident28 Ų2849 Ų4914%0.14425%0.249CC..Hα-helixtrans-78.8-38.5-173.5-61.3-175.5000109.8I266 L273 V276 K277 K283I266-I279 HydrophobicContact CG2-CD1 4.39Å; L273-I279 HydrophobicContact CB-CD1 4.07Å; L273-I279 HydrophobicContact CD1-CD1 4.34Å; V276-I279 HydrophobicContact CB-CD1 4.28Å; V276-I279 HydrophobicContact CB-CG1 4.33Å; V276-I279 HydrophobicContact CG1-CG1 4.37Å; V276-I279 PolarHBondContact O-N 3.36Å; V276-I279 VanDerWaalsContact O-N 3.11Å; K277-I279 PolarHBondContact O-N 3.16Å; I279-K283 VanDerWaalsContact O-CB 3.27Å; I279-K283 WeakPolarHBondContact O-CB 3.11Å; I279-K283 PolarHBondContact O-N 3.42Å
280Q74.9Confident78.4Confident78 Ų7853 Ų5336%0.36427%0.27SS..Hα-helixtrans-62.7-45.2172.9-63.1-177.9-2.900110.4Q274 K277 K283 L284Q274-Q280 PolarHBondContact O-NE2 3.29Å; K277-Q280 PolarHBondContact O-N 3.32Å; Q280-K283 PolarHBondContact O-N 3.21Å; Q280-L284 VanDerWaalsContact O-CB 3.31Å; Q280-L284 WeakPolarHBondContact O-CB 3.44Å; Q280-L284 PolarHBondContact O-N 3.22Å
281E80.3Confident79Confident13 Ų1353.4 Ų53.46%0.06127%0.269CS..Hα-helixtrans-60-51.3175.9-179.4173133.900111.8N162 K277 K283 L284 I285 V390 T391N162-E281 PolarHBondContact ND2-OE2 3.31Å; K277-E281 WeakPolarHBondContact O-CB 3.31Å; K277-E281 PolarHBondContact O-N 2.91Å; E281-K283 VanDerWaalsContact C-N 3.31Å; E281-K283 PolarHBondContact O-N 3.43Å; E281-L284 PolarHBondContact O-N 3.42Å; E281-I285 HydrophobicContact CG-CD1 3.91Å; E281-I285 WeakPolarHBondContact O-CG1 3.43Å; E281-I285 PolarHBondContact O-N 3.39Å; E281-V390 HydrophobicContact CG-CB 4.01Å; E281-V390 HydrophobicContact CG-CG1 3.94Å; E281-T391 VanDerWaalsContact CD-N 3.31Å; E281-T391 WeakPolarHBondContact OE1-CA 3.47Å; E281-T391 PolarHBondContact OE1-N 3.27Å; E281-T391 VanDerWaalsContact OE1-O 3.09Å; E281-T391 PolarHBondContact OE1-OG1 3.18Å; E281-T391 PolarHBondContact OE2-N 3.4Å; E281-T391 PolarHBondContact OE2-OG1 3.14Å
282K82.3Confident79.5Confident53 Ų5350.1 Ų50.123%0.2325%0.251CS..Hα-helixtrans-58.4-43.8177.8-170.6-172.7-174.3-160.10111.5E267 F278 A286 E396E267-K282 IonicContact OE1-NZ 2.73Å; E267-K282 PolarHBondContact OE1-NZ 3.22Å; F278-K282 WeakPolarHBondContact O-CB 3.48Å; F278-K282 PolarHBondContact O-N 2.55Å; K282-A286 VanDerWaalsContact O-CB 3.22Å; K282-A286 WeakPolarHBondContact O-CB 3.38Å; K282-A286 PolarHBondContact O-N 3.25Å; K282-E396 VanDerWaalsContact CE-CD 3.48Å; K282-E396 WeakPolarHBondContact CE-OE1 3.21Å; K282-E396 HydrophobicContact CG-CG 4.34Å; K282-E396 IonicContact NZ-OE1 2.79Å
283K85.3Confident80.3Confident162 Ų16252.9 Ų52.970%0.70427%0.267SS*.Hα-helixtrans-67.2-37.8179.5-172.4175.5-178.2176.30112.2I279 Q280 E281 K287I279-K283 VanDerWaalsContact O-CB 3.27Å; I279-K283 WeakPolarHBondContact O-CB 3.11Å; I279-K283 PolarHBondContact O-N 3.42Å; Q280-K283 PolarHBondContact O-N 3.21Å; E281-K283 VanDerWaalsContact C-N 3.31Å; E281-K283 PolarHBondContact O-N 3.43Å; K283-K287 WeakPolarHBondContact O-CB 3.13Å; K283-K287 PolarHBondContact O-N 3.31Å
284L88.7Confident81.1Confident23 Ų2359.2 Ų59.212%0.1230%0.297CS..Hα-helixtrans-64.5-48.4176.5178.168000111.1Q280 E281 K287 Y288 I317 I319 E388 V390 I410Q280-L284 VanDerWaalsContact O-CB 3.31Å; Q280-L284 WeakPolarHBondContact O-CB 3.44Å; Q280-L284 PolarHBondContact O-N 3.22Å; E281-L284 PolarHBondContact O-N 3.42Å; L284-K287 WeakPolarHBondContact O-CB 3.46Å; L284-K287 PolarHBondContact O-N 3.2Å; L284-Y288 PolarHBondContact O-N 3.49Å; L284-I317 HydrophobicContact CD1-CD1 4.03Å; L284-I317 HydrophobicContact CD1-CG2 3.96Å; L284-I319 HydrophobicContact CD1-CD1 4.28Å; L284-I319 HydrophobicContact CD2-CD1 4.25Å; L284-I319 HydrophobicContact CD2-CG1 4.15Å; L284-I319 HydrophobicContact CG-CD1 3.95Å; L284-I319 HydrophobicContact CG-CG1 4.37Å; L284-E388 HydrophobicContact CD2-CB 3.41Å; L284-E388 VanDerWaalsContact CD2-CB 3.41Å; L284-E388 HydrophobicContact CD2-CG 3.66Å; L284-V390 HydrophobicContact CD2-CG1 4.33Å; L284-I410 HydrophobicContact CD1-CD1 4.43Å
285I90.4Very high82.3Confident0 Ų057.9 Ų57.90%030%0.295CS..Hα-helixtrans-68.3-37.2179.2-60.2171.1000110.8E281 Y288 F289 V390 E396 F400E281-I285 HydrophobicContact CG-CD1 3.91Å; E281-I285 WeakPolarHBondContact O-CG1 3.43Å; E281-I285 PolarHBondContact O-N 3.39Å; I285-Y288 WeakPolarHBondContact O-CB 3.33Å; I285-Y288 PolarHBondContact O-N 3.39Å; I285-F289 HydrophobicContact CG2-CD2 3.75Å; I285-F289 HydrophobicContact CG2-CE2 3.33Å; I285-F289 HydrophobicContact CG2-CZ 3.94Å; I285-F289 WeakPolarHBondContact O-CD2 3.47Å; I285-F289 PolarHBondContact O-N 3.05Å; I285-V390 HydrophobicContact CD1-CB 4.2Å; I285-V390 HydrophobicContact CD1-CG1 4.23Å; I285-V390 HydrophobicContact CG1-CG1 4.31Å; I285-E396 HydrophobicContact CB-CB 4.21Å; I285-E396 HydrophobicContact CG2-CB 3.75Å; I285-F400 HydrophobicContact CG2-CB 4.35Å
286A89.1Confident83.6Confident36 Ų3653.4 Ų53.430%0.29827%0.272SS..Hα-helixtrans-60.2-45.6172.500000111.6K282 Y288 F289 D290K282-A286 VanDerWaalsContact O-CB 3.22Å; K282-A286 WeakPolarHBondContact O-CB 3.38Å; K282-A286 PolarHBondContact O-N 3.25Å; A286-Y288 VanDerWaalsContact C-N 3.28Å; A286-Y288 PolarHBondContact O-N 3.05Å; A286-F289 PolarHBondContact O-N 3.31Å; A286-F289 VanDerWaalsContact O-N 3.16Å; A286-D290 VanDerWaalsContact O-CG 3.27Å; A286-D290 PolarHBondContact O-N 3.11Å
287K90.5Very high84.7Confident83 Ų8353.8 Ų53.836%0.36128%0.277SS..Hα-helixtrans-58.1-41.8174-174.5-174.1175.3-167.80111.5K283 L284 D290 E291 I410K283-K287 WeakPolarHBondContact O-CB 3.13Å; K283-K287 PolarHBondContact O-N 3.31Å; L284-K287 WeakPolarHBondContact O-CB 3.46Å; L284-K287 PolarHBondContact O-N 3.2Å; K287-D290 PolarHBondContact O-N 3.07Å; K287-E291 WeakPolarHBondContact O-CG 3.44Å; K287-E291 PolarHBondContact O-N 3.35Å; K287-E291 VanDerWaalsContact O-N 3.16Å; K287-I410 HydrophobicContact CD-CD1 4.01Å; K287-I410 HydrophobicContact CG-CD1 4.14Å
288Y92.2Very high85.7Confident0 Ų055.8 Ų55.80%029%0.285CS..Hα-helixtrans-61.4-45.5175.3175.3-100.5000112.3L284 I285 A286 D290 E291 I292 V300 F301 I319 F400 F404 I410L284-Y288 PolarHBondContact O-N 3.49Å; I285-Y288 WeakPolarHBondContact O-CB 3.33Å; I285-Y288 PolarHBondContact O-N 3.39Å; A286-Y288 VanDerWaalsContact C-N 3.28Å; A286-Y288 PolarHBondContact O-N 3.05Å; Y288-D290 VanDerWaalsContact C-N 3.32Å; Y288-D290 PolarHBondContact O-N 3.2Å; Y288-E291 PolarHBondContact O-N 3.42Å; Y288-I292 HydrophobicContact CD1-CD1 3.86Å; Y288-I292 HydrophobicContact CE1-CD1 3.37Å; Y288-I292 HydrophobicContact CE2-CD1 4.41Å; Y288-I292 PolarHBondContact O-N 3.09Å; Y288-V300 WeakPolarHBondContact CE2-O 3.31Å; Y288-V300 PolarHBondContact OH-O 3.33Å; Y288-F301 WeakPolarHBondContact OH-CB 3.42Å; Y288-I319 HydrophobicContact CD2-CD1 4.12Å; Y288-I319 HydrophobicContact CG-CD1 4.13Å; Y288-F400 HydrophobicContact CD1-CD2 4.09Å; Y288-F400 HydrophobicContact CD1-CE2 4.28Å; Y288-F400 AromaticContact CE1-CD2 3.75Å; Y288-F400 HydrophobicContact CE1-CD2 3.75Å; Y288-F400 AromaticContact CE1-CE2 3.79Å; Y288-F400 HydrophobicContact CE1-CE2 3.79Å; Y288-F404 HydrophobicContact CE1-CG 4.47Å; Y288-I410 HydrophobicContact CD2-CG1 4.07Å
289F91.4Very high86.8Confident33 Ų3357.2 Ų57.215%0.14529%0.29CS..Hα-helixtrans-68-29.6175.6-70.4-43.6000113.6I285 A286 I292 S293 E396 Q399 F400 F404I285-F289 HydrophobicContact CG2-CD2 3.75Å; I285-F289 HydrophobicContact CG2-CE2 3.33Å; I285-F289 HydrophobicContact CG2-CZ 3.94Å; I285-F289 WeakPolarHBondContact O-CD2 3.47Å; I285-F289 PolarHBondContact O-N 3.05Å; A286-F289 PolarHBondContact O-N 3.31Å; A286-F289 VanDerWaalsContact O-N 3.16Å; F289-I292 HydrophobicContact CD1-CD1 4.11Å; F289-I292 PolarHBondContact O-N 3.29Å; F289-S293 VanDerWaalsContact O-CB 3.29Å; F289-S293 WeakPolarHBondContact O-CB 3.22Å; F289-S293 PolarHBondContact O-N 3.46Å; F289-S293 PolarHBondContact O-OG 3.44Å; F289-E396 HydrophobicContact CE2-CB 4.2Å; F289-Q399 HydrophobicContact CE2-CB 4.29Å; F289-Q399 HydrophobicContact CZ-CB 3.89Å; F289-F400 HydrophobicContact CZ-CB 4.33Å; F289-F404 HydrophobicContact CD1-CE2 4.34Å; F289-F404 HydrophobicContact CE1-CD2 4.08Å; F289-F404 AromaticContact CE1-CE2 3.52Å; F289-F404 HydrophobicContact CE1-CE2 3.52Å; F289-F404 HydrophobicContact CE1-CZ 4.28Å; F289-F404 HydrophobicContact CZ-CE2 4.41Å
290D91.4Very high87.8Confident85 Ų8556 Ų5646%0.45528%0.284SS..Hα-helixtrans-65.3-41.9174.2-72.8-25.5000111.2A286 K287 Y288 I292 S293 Q294A286-D290 VanDerWaalsContact O-CG 3.27Å; A286-D290 PolarHBondContact O-N 3.11Å; K287-D290 PolarHBondContact O-N 3.07Å; Y288-D290 VanDerWaalsContact C-N 3.32Å; Y288-D290 PolarHBondContact O-N 3.2Å; D290-I292 VanDerWaalsContact C-N 3.31Å; D290-I292 PolarHBondContact O-N 3.39Å; D290-S293 PolarHBondContact O-N 3.27Å; D290-Q294 WeakPolarHBondContact O-CB 3.43Å; D290-Q294 VanDerWaalsContact O-CG 3.31Å; D290-Q294 WeakPolarHBondContact O-CG 3.48Å; D290-Q294 PolarHBondContact O-N 3.11Å
291E90.4Very high88.6Confident35 Ų3556.5 Ų56.516%0.16429%0.285CS..Hα-helixtrans-62.8-38175.5-65.3-66.716300111.8K287 Y288 D295 T296K287-E291 WeakPolarHBondContact O-CG 3.44Å; K287-E291 PolarHBondContact O-N 3.35Å; K287-E291 VanDerWaalsContact O-N 3.16Å; Y288-E291 PolarHBondContact O-N 3.42Å; E291-D295 PolarHBondContact O-N 3.1Å; E291-T296 PolarHBondContact O-N 3.29Å; E291-T296 PolarHBondContact O-OG1 3.34Å; E291-T296 VanDerWaalsContact OE2-CB 3.31Å; E291-T296 WeakPolarHBondContact OE2-CB 3.08Å; E291-T296 WeakPolarHBondContact OE2-CG2 3.41Å; E291-T296 PolarHBondContact OE2-OG1 2.88Å
292I88.8Confident88.9Confident40 Ų4057.1 Ų57.121%0.20530%0.295CS..Hα-helixtrans-67-46.3173.7-65.5167.3000110.5Y288 F289 D290 Q294 D295 Y299 F404Y288-I292 HydrophobicContact CD1-CD1 3.86Å; Y288-I292 HydrophobicContact CE1-CD1 3.37Å; Y288-I292 HydrophobicContact CE2-CD1 4.41Å; Y288-I292 PolarHBondContact O-N 3.09Å; F289-I292 HydrophobicContact CD1-CD1 4.11Å; F289-I292 PolarHBondContact O-N 3.29Å; D290-I292 VanDerWaalsContact C-N 3.31Å; D290-I292 PolarHBondContact O-N 3.39Å; I292-Q294 VanDerWaalsContact C-N 3.32Å; I292-Q294 PolarHBondContact O-N 3.37Å; I292-D295 PolarHBondContact O-N 3.37Å; I292-Y299 HydrophobicContact CD1-CD2 4.29Å; I292-Y299 HydrophobicContact CG1-CD1 3.97Å; I292-Y299 HydrophobicContact CG1-CD2 3.61Å; I292-Y299 HydrophobicContact CG1-CE1 4.31Å; I292-Y299 HydrophobicContact CG1-CE2 3.96Å; I292-Y299 HydrophobicContact CG1-CG 3.62Å; I292-F404 HydrophobicContact CD1-CE1 3.8Å; I292-F404 HydrophobicContact CD1-CE2 4.46Å; I292-F404 HydrophobicContact CD1-CZ 3.73Å
293S89.9Confident89.1Confident99 Ų9955.9 Ų55.969%0.69229%0.292SS*.Hα-helixtrans-69.1-29.6-175.6-58.80000113F289 D290F289-S293 VanDerWaalsContact O-CB 3.29Å; F289-S293 WeakPolarHBondContact O-CB 3.22Å; F289-S293 PolarHBondContact O-N 3.46Å; F289-S293 PolarHBondContact O-OG 3.44Å; D290-S293 PolarHBondContact O-N 3.27Å
294Q89.5Confident89.1Confident135 Ų13553.2 Ų53.263%0.63129%0.285SS*.THydrogen-bonded Turntrans-88-4.1177.5-69.4177.629.900113.3D290 I292 T296D290-Q294 WeakPolarHBondContact O-CB 3.43Å; D290-Q294 VanDerWaalsContact O-CG 3.31Å; D290-Q294 WeakPolarHBondContact O-CG 3.48Å; D290-Q294 PolarHBondContact O-N 3.11Å; I292-Q294 VanDerWaalsContact C-N 3.32Å; I292-Q294 PolarHBondContact O-N 3.37Å; Q294-T296 HydrophobicContact CB-CG2 3.73Å; Q294-T296 PolarHBondContact O-N 2.86Å
295D83.9Confident89.1Confident111 Ų11154.2 Ų54.259%0.59429%0.291SS*.THydrogen-bonded Turntrans49.442.7-177.2-161.928.4000113.1E291 I292 G297E291-D295 PolarHBondContact O-N 3.1Å; I292-D295 PolarHBondContact O-N 3.37Å; D295-G297 PolarHBondContact O-N 2.95Å
296T87Confident89.1Confident40 Ų4054.4 Ų54.425%0.24529%0.292CS..  trans-71-16.9-17962.90000112.5E291 Q294 K298E291-T296 PolarHBondContact O-N 3.29Å; E291-T296 PolarHBondContact O-OG1 3.34Å; E291-T296 VanDerWaalsContact OE2-CB 3.31Å; E291-T296 WeakPolarHBondContact OE2-CB 3.08Å; E291-T296 WeakPolarHBondContact OE2-CG2 3.41Å; E291-T296 PolarHBondContact OE2-OG1 2.88Å; Q294-T296 HydrophobicContact CB-CG2 3.73Å; Q294-T296 PolarHBondContact O-N 2.86Å; T296-K298 PolarHBondContact O-N 3.43Å; T296-K298 PolarHBondContact OG1-N 2.96Å
297G85.3Confident89Confident11 Ų1153.2 Ų53.211%0.11328%0.28CS..SBendtrans68.815.1-17100000113.8D295 R414D295-G297 PolarHBondContact O-N 2.95Å; G297-R414 WeakPolarHBondContact O-CA 3.43Å
298K90.1Very high88.9Confident83 Ų8352.1 Ų52.136%0.36128%0.276SS..  trans-99.733.5-179.8-61.5-176.8-177.3-179.80113.2T296 L411T296-K298 PolarHBondContact O-N 3.43Å; T296-K298 PolarHBondContact OG1-N 2.96Å; K298-L411 HydrophobicContact CB-CB 4.46Å; K298-L411 PolarHBondContact O-N 3.43Å
299Y91.5Very high88.7Confident53 Ų5352.1 Ų52.121%0.20828%0.276CS..EExtended strand (participates in β ladder)trans-132.7151.8179.467.8-88.7000110.1I292 F301 G409I292-Y299 HydrophobicContact CD1-CD2 4.29Å; I292-Y299 HydrophobicContact CG1-CD1 3.97Å; I292-Y299 HydrophobicContact CG1-CD2 3.61Å; I292-Y299 HydrophobicContact CG1-CE1 4.31Å; I292-Y299 HydrophobicContact CG1-CE2 3.96Å; I292-Y299 HydrophobicContact CG1-CG 3.62Å; Y299-F301 AromaticContact CD2-CD1 3.99Å; Y299-F301 HydrophobicContact CD2-CD1 3.99Å; Y299-F301 HydrophobicContact CD2-CE1 4.45Å; Y299-F301 AromaticContact CE2-CD1 3.78Å; Y299-F301 HydrophobicContact CE2-CD1 3.78Å; Y299-F301 AromaticContact CE2-CE1 3.8Å; Y299-F301 HydrophobicContact CE2-CE1 3.8Å; Y299-G409 WeakPolarHBondContact CA-O 3.49Å
300V91.3Very high88.6Confident2 Ų250.7 Ų50.71%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-130.3149.2169.1-70.20000109.8Y288 T306 V315 G408 G409 L411 F417Y288-V300 WeakPolarHBondContact CE2-O 3.31Å; Y288-V300 PolarHBondContact OH-O 3.33Å; V300-T306 HydrophobicContact CG2-CG2 4.28Å; V300-V315 HydrophobicContact CG2-CG2 4.43Å; V300-G408 CarbonylContact O-C 3.55Å; V300-G408 WeakPolarHBondContact O-CA 3.34Å; V300-G409 PolarHBondContact N-O 2.97Å; V300-G409 PolarHBondContact O-N 3.42Å; V300-L411 HydrophobicContact CG1-CD1 3.73Å; V300-L411 HydrophobicContact CG1-CD2 3.73Å; V300-L411 HydrophobicContact CG1-CG 3.85Å; V300-L411 HydrophobicContact CG2-CD2 4.21Å; V300-F417 HydrophobicContact CG1-CD2 4.33Å; V300-F417 HydrophobicContact CG1-CE1 4.22Å; V300-F417 HydrophobicContact CG1-CE2 3.29Å; V300-F417 HydrophobicContact CG1-CZ 3.22Å
301F90.2Very high88.4Confident90 Ų9053.2 Ų53.240%0.39528%0.278SS..EExtended strand (participates in β ladder)trans-144.3157.317462.8-87.9000109.4Y288 Y299 F404Y288-F301 WeakPolarHBondContact OH-CB 3.42Å; Y299-F301 AromaticContact CD2-CD1 3.99Å; Y299-F301 HydrophobicContact CD2-CD1 3.99Å; Y299-F301 HydrophobicContact CD2-CE1 4.45Å; Y299-F301 AromaticContact CE2-CD1 3.78Å; Y299-F301 HydrophobicContact CE2-CD1 3.78Å; Y299-F301 AromaticContact CE2-CE1 3.8Å; Y299-F301 HydrophobicContact CE2-CE1 3.8Å; F301-F404 HydrophobicContact CB-CB 4.14Å; F301-F404 HydrophobicContact CB-CD1 3.62Å; F301-F404 HydrophobicContact CB-CG 4.33Å; F301-F404 HydrophobicContact CD1-CD1 4.34Å; F301-F404 HydrophobicContact CD2-CD1 4.24Å; F301-F404 AromaticContact CG-CD1 3.83Å; F301-F404 HydrophobicContact CG-CD1 3.83Å; F301-F404 HydrophobicContact CG-CE1 4.46Å
302G86.8Confident88.3Confident25 Ų2555.8 Ų55.826%0.25829%0.291SS..SBendtrans79.5159.8-176.200000112.8T306 I407G302-T306 WeakPolarHBondContact O-CB 3.46Å; G302-T306 PolarHBondContact O-N 2.97Å; G302-T306 PolarHBondContact O-OG1 2.97Å; G302-I407 PolarHBondContact N-O 2.98Å
303V86.4Confident88.2Confident27 Ų2755.1 Ų55.116%0.16429%0.294CS..Hα-helixtrans-69.2-50.4-171174.50000111.5T306 L307 I326 Y343 M372 I407V303-T306 PolarHBondContact O-N 2.94Å; V303-L307 HydrophobicContact CG1-CD1 3.67Å; V303-L307 HydrophobicContact CG1-CG 4.44Å; V303-L307 WeakPolarHBondContact O-CB 3.36Å; V303-L307 VanDerWaalsContact O-CG 3.25Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 2.79Å; V303-I326 HydrophobicContact CG2-CD1 3.3Å; V303-I326 HydrophobicContact CG2-CG1 4.39Å; V303-Y343 HydrophobicContact CG1-CD2 4.32Å; V303-Y343 HydrophobicContact CG1-CG 4.06Å; V303-M372 HydrophobicContact CG1-CE 3.43Å; V303-M372 VanDerWaalsContact CG1-CE 3.43Å; V303-M372 HydrophobicContact CG1-SD 4.33Å; V303-I407 HydrophobicContact CG2-CG2 3.9Å
304D86.5Confident88.2Confident107 Ų10750.4 Ų50.457%0.57226%0.261SS*.Hα-helixtrans-66.3-49.3-171.1-57.2-43.5000111.5T306 L307 K308D304-T306 VanDerWaalsContact C-N 3.35Å; D304-T306 PolarHBondContact O-N 2.87Å; D304-L307 PolarHBondContact O-N 3.08Å; D304-K308 WeakPolarHBondContact O-CB 3.4Å; D304-K308 WeakPolarHBondContact O-CG 3.1Å; D304-K308 PolarHBondContact O-N 2.88Å
305D88.6Confident88.3Confident44 Ų4444 Ų4424%0.23523%0.232CC..Hα-helixtrans-65.7-38.4178.7-68-14.8000112.1G309 F417D305-G309 PolarHBondContact O-N 2.8Å; D305-F417 HydrophobicContact CB-CD1 3.93Å; D305-F417 HydrophobicContact CB-CE1 4.16Å; D305-F417 HydrophobicContact CB-CG 4.26Å; D305-F417 WeakPolarHBondContact O-CE1 3.41Å
306T89.5Confident88.6Confident3 Ų342.5 Ų42.52%0.01822%0.221CC..Hα-helixtrans-66-40177.6-58.80000111.2V300 G302 V303 D304 L310 L318 I407V300-T306 HydrophobicContact CG2-CG2 4.28Å; G302-T306 WeakPolarHBondContact O-CB 3.46Å; G302-T306 PolarHBondContact O-N 2.97Å; G302-T306 PolarHBondContact O-OG1 2.97Å; V303-T306 PolarHBondContact O-N 2.94Å; D304-T306 VanDerWaalsContact C-N 3.35Å; D304-T306 PolarHBondContact O-N 2.87Å; T306-L310 VanDerWaalsContact O-CB 3.27Å; T306-L310 WeakPolarHBondContact O-CB 3.42Å; T306-L310 PolarHBondContact O-N 3.49Å; T306-L318 HydrophobicContact CG2-CD1 3.3Å; T306-I407 HydrophobicContact CG2-CD1 4.28Å; T306-I407 HydrophobicContact CG2-CG1 4.08Å
307L88.2Confident88.8Confident11 Ų1141.6 Ų41.66%0.05822%0.215CC..Hα-helixtrans-68.8-45.5176.6-73.1168.8000112V303 D304 G309 L310 E311 Y343 M372 W375V303-L307 HydrophobicContact CG1-CD1 3.67Å; V303-L307 HydrophobicContact CG1-CG 4.44Å; V303-L307 WeakPolarHBondContact O-CB 3.36Å; V303-L307 VanDerWaalsContact O-CG 3.25Å; V303-L307 WeakPolarHBondContact O-CG 3.4Å; V303-L307 PolarHBondContact O-N 2.79Å; D304-L307 PolarHBondContact O-N 3.08Å; L307-G309 VanDerWaalsContact C-N 3.3Å; L307-G309 PolarHBondContact O-N 2.79Å; L307-L310 WeakPolarHBondContact O-CB 3.2Å; L307-L310 PolarHBondContact O-N 3.34Å; L307-E311 WeakPolarHBondContact O-CG 3.49Å; L307-E311 PolarHBondContact O-N 3.28Å; L307-Y343 HydrophobicContact CD1-CD1 4.29Å; L307-Y343 HydrophobicContact CD1-CD2 3.58Å; L307-Y343 HydrophobicContact CD1-CE1 3.89Å; L307-Y343 HydrophobicContact CD1-CE2 3.16Å; L307-Y343 HydrophobicContact CD1-CG 4.12Å; L307-M372 HydrophobicContact CD1-CE 3.9Å; L307-M372 HydrophobicContact CD2-CE 4.35Å; L307-M372 HydrophobicContact CG-CE 4.36Å; L307-W375 HydrophobicContact CD2-CZ3 4.2Å
308K87.6Confident89.2Confident61 Ų6141.1 Ų41.127%0.26521%0.209SC..Hα-helixtrans-55.5-47.4173.1-73.2174.7-179176.50110.6D304 L310 E311 M312 F417D304-K308 WeakPolarHBondContact O-CB 3.4Å; D304-K308 WeakPolarHBondContact O-CG 3.1Å; D304-K308 PolarHBondContact O-N 2.88Å; K308-L310 VanDerWaalsContact C-N 3.29Å; K308-L310 PolarHBondContact O-N 3.1Å; K308-E311 PolarHBondContact O-N 2.92Å; K308-M312 WeakPolarHBondContact O-CB 3.44Å; K308-M312 VanDerWaalsContact O-CG 3.25Å; K308-M312 WeakPolarHBondContact O-CG 3.42Å; K308-M312 PolarHBondContact O-N 3.41Å; K308-F417 HydrophobicContact CB-CE1 4.39Å
309G88.4Confident89.3Confident0 Ų037.1 Ų37.10%019%0.192CC..Hα-helixtrans-62.7-33.8176.200000113.6D305 L307 G313 A314D305-G309 PolarHBondContact O-N 2.8Å; L307-G309 VanDerWaalsContact C-N 3.3Å; L307-G309 PolarHBondContact O-N 2.79Å; G309-G313 PolarHBondContact O-N 3.35Å; G309-A314 PolarHBondContact O-N 3.46Å
310L89Confident89.4Confident2 Ų234.6 Ų34.61%0.0118%0.182CC..Hα-helixtrans-72-43.5177.6-169.969.4000111.6T306 L307 K308 M312 G313 V315 W375 L376 F383 A385T306-L310 VanDerWaalsContact O-CB 3.27Å; T306-L310 WeakPolarHBondContact O-CB 3.42Å; T306-L310 PolarHBondContact O-N 3.49Å; L307-L310 WeakPolarHBondContact O-CB 3.2Å; L307-L310 PolarHBondContact O-N 3.34Å; K308-L310 VanDerWaalsContact C-N 3.29Å; K308-L310 PolarHBondContact O-N 3.1Å; L310-M312 VanDerWaalsContact C-N 3.33Å; L310-M312 PolarHBondContact O-N 3.33Å; L310-G313 PolarHBondContact O-N 3.16Å; L310-V315 HydrophobicContact CD1-CB 4.35Å; L310-W375 HydrophobicContact CD2-CZ3 4.48Å; L310-L376 HydrophobicContact CD2-CD2 3.83Å; L310-F383 HydrophobicContact CD1-CB 3.59Å; L310-F383 HydrophobicContact CD1-CD2 4.12Å; L310-F383 HydrophobicContact CD1-CG 3.87Å; L310-F383 HydrophobicContact CD2-CD1 4.49Å; L310-F383 HydrophobicContact CD2-CD2 3.7Å; L310-F383 HydrophobicContact CD2-CE2 3.84Å; L310-F383 HydrophobicContact CD2-CG 4.05Å; L310-F383 HydrophobicContact CD2-CZ 4.31Å; L310-F383 HydrophobicContact CG-CB 3.85Å; L310-F383 HydrophobicContact CG-CD1 3.88Å; L310-F383 HydrophobicContact CG-CD2 3.76Å; L310-F383 HydrophobicContact CG-CE1 4.35Å; L310-F383 HydrophobicContact CG-CE2 4.25Å; L310-F383 HydrophobicContact CG-CG 3.56Å; L310-F383 VanDerWaalsContact O-CD1 3.3Å; L310-F383 WeakPolarHBondContact O-CD1 3.43Å; L310-A385 HydrophobicContact CD1-CB 3.74Å
311E87.5Confident89.4Confident138 Ų13836.4 Ų36.465%0.64519%0.189SC*.Hα-helixtrans-64.8-36.3176.3-72.6179.217900112.2L307 K308 G313L307-E311 WeakPolarHBondContact O-CG 3.49Å; L307-E311 PolarHBondContact O-N 3.28Å; K308-E311 PolarHBondContact O-N 2.92Å; E311-G313 PolarHBondContact O-N 2.94Å
312M87.7Confident89.2Confident89 Ų8934.5 Ų34.544%0.43818%0.181SC..THydrogen-bonded Turntrans-71.2-8.3172.2-67.5177.9-172.700113.5K308 L310 A314 L415K308-M312 WeakPolarHBondContact O-CB 3.44Å; K308-M312 VanDerWaalsContact O-CG 3.25Å; K308-M312 WeakPolarHBondContact O-CG 3.42Å; K308-M312 PolarHBondContact O-N 3.41Å; L310-M312 VanDerWaalsContact C-N 3.33Å; L310-M312 PolarHBondContact O-N 3.33Å; M312-A314 HydrophobicContact CB-CB 4.46Å; M312-A314 PolarHBondContact O-N 2.87Å; M312-L415 HydrophobicContact SD-CD2 3.96Å
313G87.5Confident89.2Confident26 Ų2637 Ų3727%0.26819%0.189SC..THydrogen-bonded Turntrans68.620.9-17700000114G309 L310 E311G309-G313 PolarHBondContact O-N 3.35Å; L310-G313 PolarHBondContact O-N 3.16Å; E311-G313 PolarHBondContact O-N 2.94Å
314A89.3Confident89.1Confident0 Ų036.6 Ų36.60%019%0.185CC..  trans-87.4-22.4-174.400000113.6G309 M312 E316 L411 R412 Y413 L415G309-A314 PolarHBondContact O-N 3.46Å; M312-A314 HydrophobicContact CB-CB 4.46Å; M312-A314 PolarHBondContact O-N 2.87Å; A314-E316 PolarHBondContact O-N 2.89Å; A314-L411 HydrophobicContact CB-CD2 4.08Å; A314-L411 WeakPolarHBondContact O-CA 3.47Å; A314-R412 WeakPolarHBondContact O-CG 3.08Å; A314-R412 PolarHBondContact O-N 3.22Å; A314-Y413 HydrophobicContact CB-CE1 3.84Å; A314-Y413 HydrophobicContact CB-CE2 4.15Å; A314-Y413 WeakPolarHBondContact CB-OH 3.39Å; A314-L415 HydrophobicContact CB-CD1 3.22Å; A314-L415 HydrophobicContact CB-CG 4.38Å
315V91Very high89Confident2 Ų236.8 Ų36.81%0.01219%0.186CC..EExtended strand (participates in β ladder)trans-73.1122.8-178.7179.80000110.4V300 L310 L318 A385 L411V300-V315 HydrophobicContact CG2-CG2 4.43Å; L310-V315 HydrophobicContact CD1-CB 4.35Å; V315-L318 HydrophobicContact CG1-CB 4.04Å; V315-A385 HydrophobicContact CB-CB 4.43Å; V315-A385 HydrophobicContact CG1-CB 4.25Å; V315-L411 HydrophobicContact CB-CD2 4.5Å; V315-L411 HydrophobicContact CG2-CD2 3.77Å
316E91.1Very high88.8Confident79 Ų7935.3 Ų35.337%0.36918%0.178SC..EExtended strand (participates in β ladder)trans-82.9-54.6171.4-169.5-173.5144.800110.6A314 T386 I410 R412A314-E316 PolarHBondContact O-N 2.89Å; E316-T386 PolarHBondContact O-N 2.73Å; E316-T386 PolarHBondContact O-OG1 2.85Å; E316-I410 WeakPolarHBondContact CB-O 3.28Å; E316-I410 PolarHBondContact N-O 3.4Å; E316-R412 HydrophobicContact CB-CG 3.68Å; E316-R412 HydrophobicContact CG-CG 4.25Å
317I92.3Very high88.6Confident21 Ų2136.4 Ų36.411%0.10819%0.185CC..EExtended strand (participates in β ladder)trans-126116.1-177.8-46.2-179.5000108.2L284 I319 T386 E388 G409 I410L284-I317 HydrophobicContact CD1-CD1 4.03Å; L284-I317 HydrophobicContact CD1-CG2 3.96Å; I317-I319 HydrophobicContact CG2-CG1 4.33Å; I317-T386 CarbonylContact C-O 3.54Å; I317-T386 WeakPolarHBondContact CA-O 3.38Å; I317-T386 WeakPolarHBondContact CA-OG1 3.45Å; I317-T386 WeakPolarHBondContact CG1-OG1 3.18Å; I317-E388 HydrophobicContact CG2-CB 4.24Å; I317-E388 HydrophobicContact CG2-CG 3.81Å; I317-G409 CarbonylContact O-C 3.51Å; I317-G409 WeakPolarHBondContact O-CA 3.33Å; I317-I410 HydrophobicContact CB-CB 4.43Å; I317-I410 HydrophobicContact CD1-CD1 4.46Å; I317-I410 PolarHBondContact N-O 2.96Å; I317-I410 PolarHBondContact O-N 3.28Å
318L92.7Very high88.5Confident0 Ų037.7 Ų37.70%019%0.189CC..EExtended strand (participates in β ladder)trans-91.1119.7173.7-178.864.4000108.4T306 V315 L376 T386 L387 E388T306-L318 HydrophobicContact CG2-CD1 3.3Å; V315-L318 HydrophobicContact CG1-CB 4.04Å; L318-L376 HydrophobicContact CD2-CD1 4.06Å; L318-L376 HydrophobicContact CD2-CD2 3.7Å; L318-L376 HydrophobicContact CD2-CG 4.31Å; L318-T386 PolarHBondContact N-O 3.4Å; L318-L387 HydrophobicContact CB-CD1 4.4Å; L318-L387 HydrophobicContact CD2-CD1 3.92Å; L318-L387 HydrophobicContact CG-CD1 4.07Å; L318-E388 PolarHBondContact O-N 2.79Å
319I92.8Very high88.3Confident0 Ų035.6 Ų35.60%018%0.18CC..EExtended strand (participates in β ladder)trans-105.3119.6-179-53.7178.7000107.8L284 Y288 I317 E388 V390 F400 G408 I410L284-I319 HydrophobicContact CD1-CD1 4.28Å; L284-I319 HydrophobicContact CD2-CD1 4.25Å; L284-I319 HydrophobicContact CD2-CG1 4.15Å; L284-I319 HydrophobicContact CG-CD1 3.95Å; L284-I319 HydrophobicContact CG-CG1 4.37Å; Y288-I319 HydrophobicContact CD2-CD1 4.12Å; Y288-I319 HydrophobicContact CG-CD1 4.13Å; I317-I319 HydrophobicContact CG2-CG1 4.33Å; I319-E388 WeakPolarHBondContact CA-O 3.44Å; I319-V390 HydrophobicContact CG2-CB 4.41Å; I319-V390 HydrophobicContact CG2-CG1 3.67Å; I319-V390 HydrophobicContact CG2-CG2 3.78Å; I319-F400 HydrophobicContact CB-CZ 3.97Å; I319-F400 HydrophobicContact CG2-CD1 4.48Å; I319-F400 HydrophobicContact CG2-CE1 3.78Å; I319-F400 HydrophobicContact CG2-CE2 4.26Å; I319-F400 HydrophobicContact CG2-CZ 3.65Å; I319-G408 PolarHBondContact N-O 3.23Å; I319-G408 PolarHBondContact O-N 3.05Å; I319-I410 HydrophobicContact CD1-CG1 4.48Å
320C92.1Very high88Confident0 Ų036.2 Ų36.20%018%0.184CC..EExtended strand (participates in β ladder)trans-130.5137.3179.6-64.10000111.5L373 L387 E388 I389 V390C320-L373 HydrophobicContact CB-CD1 3.66Å; C320-L387 HydrophobicContact CB-CD1 4.22Å; C320-E388 PolarHBondContact N-O 2.88Å; C320-I389 CarbonylContact O-C 3.49Å; C320-I389 VanDerWaalsContact O-CA 3.3Å; C320-I389 WeakPolarHBondContact O-CA 3.25Å; C320-V390 PolarHBondContact O-N 2.89Å
321W91.2Very high87.5Confident39 Ų3936.2 Ų36.215%0.14818%0.183CC..EExtended strand (participates in β ladder)trans-74.4138.2174.6-179.247000111.6N323 L324 V390 D392 V401 G406W321-N323 HydrophobicContact CD2-CB 4.13Å; W321-N323 VanDerWaalsContact CE3-C 3.45Å; W321-N323 HydrophobicContact CE3-CB 4.17Å; W321-N323 HydrophobicContact CH2-CB 3.72Å; W321-N323 HydrophobicContact CZ2-CB 3.69Å; W321-N323 HydrophobicContact CZ3-CB 3.96Å; W321-N323 WeakPolarHBondContact CZ3-O 3.49Å; W321-N323 PolarHBondContact O-N 3.21Å; W321-N323 VanDerWaalsContact O-N 3.15Å; W321-L324 WeakPolarHBondContact O-CB 3.44Å; W321-L324 PolarHBondContact O-N 3.29Å; W321-V390 WeakPolarHBondContact CA-O 3.49Å; W321-D392 HydrophobicContact CZ2-CB 4.37Å; W321-V401 HydrophobicContact CB-CG2 3.94Å; W321-V401 HydrophobicContact CD2-CB 4.48Å; W321-V401 HydrophobicContact CD2-CG1 3.95Å; W321-V401 HydrophobicContact CD2-CG2 3.61Å; W321-V401 HydrophobicContact CE3-CG1 3.81Å; W321-V401 HydrophobicContact CE3-CG2 4.25Å; W321-V401 HydrophobicContact CG-CG2 3.45Å; W321-V401 VanDerWaalsContact CG-CG2 3.45Å; W321-V401 HydrophobicContact CH2-CG1 4.1Å; W321-V401 HydrophobicContact CZ2-CG1 4.21Å; W321-V401 HydrophobicContact CZ3-CG1 3.89Å; W321-G406 WeakPolarHBondContact CB-O 3.05Å; W321-G406 PolarHBondContact N-O 3Å
322E86.8Confident87.1Confident51 Ų5135.1 Ų35.124%0.23817%0.173CC..THydrogen-bonded Turntrans-59.9-26.4-175.666.3173.5178.300115L373 I389 V390 T391E322-L373 WeakPolarHBondContact O-CD2 3.1Å; E322-I389 HydrophobicContact CB-CG2 3.77Å; E322-V390 PolarHBondContact N-O 2.88Å; E322-T391 HydrophobicContact CG-CG2 4.34Å
323N86Confident86.3Confident77 Ų7731.1 Ų31.141%0.41215%0.154SC..THydrogen-bonded Turntrans-11138.5179.8-58-48.6000111.4W321 D325W321-N323 HydrophobicContact CD2-CB 4.13Å; W321-N323 VanDerWaalsContact CE3-C 3.45Å; W321-N323 HydrophobicContact CE3-CB 4.17Å; W321-N323 HydrophobicContact CH2-CB 3.72Å; W321-N323 HydrophobicContact CZ2-CB 3.69Å; W321-N323 HydrophobicContact CZ3-CB 3.96Å; W321-N323 WeakPolarHBondContact CZ3-O 3.49Å; W321-N323 PolarHBondContact O-N 3.21Å; W321-N323 VanDerWaalsContact O-N 3.15Å; N323-D325 PolarHBondContact O-N 3.35Å
324L85.8Confident85.6Confident18 Ų1833.5 Ų33.59%0.09416%0.163CC..  trans-60.7110.3176.7-165.872.4000110.8W321 I326 M372 I407W321-L324 WeakPolarHBondContact O-CB 3.44Å; W321-L324 PolarHBondContact O-N 3.29Å; L324-I326 HydrophobicContact CD1-CD1 3.82Å; L324-I326 HydrophobicContact CD2-CB 4.38Å; L324-I326 HydrophobicContact CD2-CD1 4.02Å; L324-I326 HydrophobicContact CG-CB 4.26Å; L324-I326 HydrophobicContact CG-CD1 3.82Å; L324-I326 HydrophobicContact CG-CG1 4.29Å; L324-I326 PolarHBondContact O-N 2.91Å; L324-M372 HydrophobicContact CD2-CB 4.34Å; L324-M372 HydrophobicContact CD2-CG 4.05Å; L324-M372 HydrophobicContact CD2-SD 3.73Å; L324-I407 HydrophobicContact CD1-CB 4.27Å; L324-I407 HydrophobicContact CD2-CB 4.47Å; L324-I407 HydrophobicContact CD2-CD1 4.33Å
325D84.1Confident84.6Confident111 Ų11140.4 Ų40.459%0.59420%0.195SC*.  trans-83.251-180-72.7-26.1000111.6N323 N345 P346N323-D325 PolarHBondContact O-N 3.35Å; D325-N345 WeakPolarHBondContact O-CA 3.36Å; D325-N345 PolarHBondContact O-OD1 2.84Å; D325-N345 VanDerWaalsContact O-OD1 3.1Å; D325-P346 WeakPolarHBondContact O-CD 3.49Å
326I84.5Confident83.6Confident13 Ų1343.5 Ų43.57%0.06721%0.214CC..  trans-124.2130.7175.7-65.5154.9000109.4V303 L324 N345 M372V303-I326 HydrophobicContact CG2-CD1 3.3Å; V303-I326 HydrophobicContact CG2-CG1 4.39Å; L324-I326 HydrophobicContact CD1-CD1 3.82Å; L324-I326 HydrophobicContact CD2-CB 4.38Å; L324-I326 HydrophobicContact CD2-CD1 4.02Å; L324-I326 HydrophobicContact CG-CB 4.26Å; L324-I326 HydrophobicContact CG-CD1 3.82Å; L324-I326 HydrophobicContact CG-CG1 4.29Å; L324-I326 PolarHBondContact O-N 2.91Å; I326-N345 WeakPolarHBondContact CG1-OD1 3.3Å; I326-M372 HydrophobicContact CB-CB 4.15Å; I326-M372 HydrophobicContact CB-SD 4.04Å; I326-M372 HydrophobicContact CD1-SD 4.23Å; I326-M372 HydrophobicContact CG2-CB 3.97Å; I326-M372 HydrophobicContact CG2-CE 4.03Å; I326-M372 HydrophobicContact CG2-CG 4.47Å; I326-M372 HydrophobicContact CG2-SD 3.65Å; I326-M372 VanDerWaalsContact O-CB 3.28Å; I326-M372 WeakPolarHBondContact O-CB 2.83Å; I326-M372 PolarHBondContact O-N 3.29Å
327V84.7Confident82.6Confident26 Ų2642.3 Ų42.316%0.15822%0.218CC..EExtended strand (participates in β ladder)trans-112.3134.3176.8-174.60000109.1Y329 Y343 L344V327-Y329 HydrophobicContact CB-CD2 4.41Å; V327-Y329 HydrophobicContact CB-CE1 4.46Å; V327-Y329 HydrophobicContact CB-CE2 3.82Å; V327-Y329 HydrophobicContact CG1-CD1 4.11Å; V327-Y329 HydrophobicContact CG1-CD2 4.33Å; V327-Y329 HydrophobicContact CG1-CE1 3.69Å; V327-Y329 HydrophobicContact CG1-CE2 3.92Å; V327-Y329 HydrophobicContact CG1-CG 4.45Å; V327-Y343 WeakPolarHBondContact O-CA 3.43Å; V327-L344 PolarHBondContact N-O 3.46Å; V327-L344 PolarHBondContact O-N 3.45Å
328R86.5Confident81.8Confident39 Ų3947.8 Ų47.815%0.14724%0.243CC..EExtended strand (participates in β ladder)trans-89.1111.2171.6179.8178.8-179.3-103.72.4107.9I341 Y343 V370 W375R328-I341 HydrophobicContact CG-CG2 3.76Å; R328-I341 VanDerWaalsContact NH2-CD1 3.33Å; R328-Y343 HydrophobicContact CB-CD1 3.9Å; R328-Y343 HydrophobicContact CB-CE1 3.78Å; R328-Y343 HydrophobicContact CG-CD1 4.05Å; R328-Y343 HydrophobicContact CG-CE1 3.52Å; R328-V370 WeakPolarHBondContact CB-O 3.42Å; R328-V370 PolarHBondContact N-O 3.01Å; R328-V370 PolarHBondContact O-N 3.25Å; R328-W375 VanDerWaalsContact CZ-NE1 3.3Å; R328-W375 VanDerWaalsContact NH1-CD1 3.29Å; R328-W375 VanDerWaalsContact NH1-NE1 3.16Å
329Y82.7Confident81Confident17 Ų1753.9 Ų53.97%0.06727%0.272CS..EExtended strand (participates in β ladder)trans-98.5132173.2-65.2-67.2000109.8V327 I341 V342 L344 D349 L366 D368V327-Y329 HydrophobicContact CB-CD2 4.41Å; V327-Y329 HydrophobicContact CB-CE1 4.46Å; V327-Y329 HydrophobicContact CB-CE2 3.82Å; V327-Y329 HydrophobicContact CG1-CD1 4.11Å; V327-Y329 HydrophobicContact CG1-CD2 4.33Å; V327-Y329 HydrophobicContact CG1-CE1 3.69Å; V327-Y329 HydrophobicContact CG1-CE2 3.92Å; V327-Y329 HydrophobicContact CG1-CG 4.45Å; Y329-I341 WeakPolarHBondContact O-CA 3.22Å; Y329-V342 PolarHBondContact N-O 3.02Å; Y329-V342 PolarHBondContact O-N 2.72Å; Y329-L344 HydrophobicContact CD2-CB 4.03Å; Y329-L344 HydrophobicContact CD2-CD1 3.82Å; Y329-L344 HydrophobicContact CD2-CG 4.15Å; Y329-L344 HydrophobicContact CE2-CB 3.91Å; Y329-L344 HydrophobicContact CE2-CD1 4.08Å; Y329-L344 HydrophobicContact CE2-CG 4.43Å; Y329-D349 WeakPolarHBondContact CE2-OD1 3.48Å; Y329-D349 PolarHBondContact OH-OD1 2.84Å; Y329-D349 PolarHBondContact OH-OD2 3.35Å; Y329-L366 HydrophobicContact CD1-CD1 3.4Å; Y329-L366 VanDerWaalsContact CD1-CD1 3.4Å; Y329-L366 HydrophobicContact CE1-CD1 4.2Å; Y329-L366 HydrophobicContact CG-CD1 4.06Å; Y329-D368 WeakPolarHBondContact CA-O 3.27Å
330T82.3Confident80.3Confident13 Ų1358.5 Ų58.58%0.0829%0.292CS..EExtended strand (participates in β ladder)trans-103109.2168.6-57.90000107.4E339 V367 D368T330-E339 HydrophobicContact CG2-CB 4.44Å; T330-V367 HydrophobicContact CG2-CB 4.44Å; T330-V367 WeakPolarHBondContact O-CB 3.22Å; T330-V367 PolarHBondContact O-N 3Å; T330-D368 PolarHBondContact N-O 3.12Å; T330-D368 PolarHBondContact O-N 3.12Å
331L79.4Confident79.8Confident1 Ų162.1 Ų62.11%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-98.4140.5177.9-60.7179.1000108.6E339 K340 V342 F355 M364 E365 L366L331-E339 CarbonylContact O-C 3.55Å; L331-E339 VanDerWaalsContact O-CA 3.28Å; L331-E339 WeakPolarHBondContact O-CA 3.38Å; L331-K340 WeakPolarHBondContact CB-O 3.49Å; L331-K340 PolarHBondContact N-O 3.39Å; L331-K340 PolarHBondContact O-N 3.24Å; L331-V342 HydrophobicContact CD1-CG2 3.73Å; L331-V342 HydrophobicContact CG-CG2 4.45Å; L331-F355 HydrophobicContact CD1-CD1 4.32Å; L331-F355 HydrophobicContact CD2-CD1 3.59Å; L331-F355 HydrophobicContact CD2-CE1 3.67Å; L331-M364 HydrophobicContact CB-CB 3.95Å; L331-M364 HydrophobicContact CB-SD 4.11Å; L331-M364 HydrophobicContact CD1-CB 4.42Å; L331-M364 HydrophobicContact CD1-CE 3.99Å; L331-M364 HydrophobicContact CD1-SD 4.33Å; L331-E365 CarbonylContact C-O 3.58Å; L331-E365 WeakPolarHBondContact CA-O 3.42Å; L331-L366 HydrophobicContact CD2-CB 4.42Å; L331-L366 HydrophobicContact CD2-CD1 3.95Å
332R77.6Confident79.4Confident116 Ų11661.4 Ų61.444%0.43831%0.31SS..EExtended strand (participates in β ladder)trans-119.9126.4174-177.1175.4178.3-166.1-2.9109.5T334 E338 E339 E365 V367R332-T334 PolarHBondContact O-N 3.16Å; R332-E338 WeakPolarHBondContact CA-O 3.38Å; R332-E339 HydrophobicContact CB-CG 4.48Å; R332-E339 HydrophobicContact CG-CG 4.43Å; R332-E365 PolarHBondContact N-O 2.85Å; R332-E365 PolarHBondContact O-N 2.83Å; R332-V367 HydrophobicContact CB-CG2 3.43Å; R332-V367 VanDerWaalsContact CB-CG2 3.43Å
333N72.8Confident79.2Confident4 Ų461.4 Ų61.42%0.02131%0.308CS..EExtended strand (participates in β ladder)trans-71.4124.7172-172.3-33.5000108.8Q335 T336 A337 E338 D357 M364N333-Q335 PolarHBondContact O-N 3.27Å; N333-Q335 PolarHBondContact OD1-N 2.9Å; N333-T336 WeakPolarHBondContact CB-OG1 3.29Å; N333-A337 VanDerWaalsContact O-CA 3.24Å; N333-A337 WeakPolarHBondContact O-CA 3.31Å; N333-A337 PolarHBondContact O-N 3.25Å; N333-E338 PolarHBondContact N-O 3.38Å; N333-D357 PolarHBondContact ND2-OD2 3.45Å; N333-D357 VanDerWaalsContact ND2-OD2 3.08Å; N333-M364 HydrophobicContact CB-CG 4.46Å
334T71.3Confident78.8Confident77 Ų7758.3 Ų58.347%0.47229%0.292SS..THydrogen-bonded Turntrans-66.4-21.5-178.445.10000113.2R332 E365R332-T334 PolarHBondContact O-N 3.16Å; T334-E365 HydrophobicContact CG2-CB 4.4Å; T334-E365 VanDerWaalsContact CG2-CD 3.43Å; T334-E365 HydrophobicContact CG2-CG 3.59Å
335Q68.8Low78.4Confident144 Ų14461.1 Ų61.167%0.67331%0.307SS*.THydrogen-bonded Turntrans-96.3-44.6-176.5-58.9-174.218.200112.9N333N333-Q335 PolarHBondContact O-N 3.27Å; N333-Q335 PolarHBondContact OD1-N 2.9Å
336T69.8Low77.6Confident67 Ų6759 Ų5941%0.41130%0.299SS..THydrogen-bonded Turntrans-93.6-12.2-177.7610000113.1N333 E338N333-T336 WeakPolarHBondContact CB-OG1 3.29Å; T336-E338 PolarHBondContact O-N 3.34Å; T336-E338 VanDerWaalsContact O-N 3.12Å; T336-E338 WeakPolarHBondContact OG1-CB 3.33Å; T336-E338 PolarHBondContact OG1-N 3.23Å; T336-E338 PolarHBondContact OG1-OE2 3.3Å
337A71Confident76.4Confident54 Ų5463.3 Ų63.345%0.44633%0.33SS..  trans57.611.5-168.900000114.2N333N333-A337 VanDerWaalsContact O-CA 3.24Å; N333-A337 WeakPolarHBondContact O-CA 3.31Å; N333-A337 PolarHBondContact O-N 3.25Å
338E74.7Confident75.2Confident136 Ų13665.8 Ų65.864%0.63634%0.34SS*.  trans-73.4137.9176.1-68.6175.9159.700110.4R332 N333 T336R332-E338 WeakPolarHBondContact CA-O 3.38Å; N333-E338 PolarHBondContact N-O 3.38Å; T336-E338 PolarHBondContact O-N 3.34Å; T336-E338 VanDerWaalsContact O-N 3.12Å; T336-E338 WeakPolarHBondContact OG1-CB 3.33Å; T336-E338 PolarHBondContact OG1-N 3.23Å; T336-E338 PolarHBondContact OG1-OE2 3.3Å
339E76.9Confident73.7Confident128 Ų12867.2 Ų67.260%0.59835%0.351SS*.EExtended strand (participates in β ladder)trans-96.8124.7177.6-66.6-176.4174.400109.6T330 L331 R332T330-E339 HydrophobicContact CG2-CB 4.44Å; L331-E339 CarbonylContact O-C 3.55Å; L331-E339 VanDerWaalsContact O-CA 3.28Å; L331-E339 WeakPolarHBondContact O-CA 3.38Å; R332-E339 HydrophobicContact CB-CG 4.48Å; R332-E339 HydrophobicContact CG-CG 4.43Å
340K78.2Confident72.3Confident98 Ų9875.5 Ų75.543%0.42639%0.387SS..EExtended strand (participates in β ladder)trans-110.6125.5174.5-170173.5-172.5167.80109L331 V342 M364L331-K340 WeakPolarHBondContact CB-O 3.49Å; L331-K340 PolarHBondContact N-O 3.39Å; L331-K340 PolarHBondContact O-N 3.24Å; K340-V342 HydrophobicContact CD-CG2 4.49Å; K340-V342 HydrophobicContact CG-CG2 4.17Å; K340-M364 HydrophobicContact CB-SD 4.19Å; K340-M364 HydrophobicContact CD-CE 4Å; K340-M364 HydrophobicContact CD-SD 4.11Å
341I80.8Confident71Confident76 Ų7679.3 Ų79.339%0.3940%0.404SS..EExtended strand (participates in β ladder)trans-95.3126.9175.8-59.9162.2000107.8R328 Y329 Y343R328-I341 HydrophobicContact CG-CG2 3.76Å; R328-I341 VanDerWaalsContact NH2-CD1 3.33Å; Y329-I341 WeakPolarHBondContact O-CA 3.22Å; I341-Y343 HydrophobicContact CG2-CE1 4.15Å; I341-Y343 HydrophobicContact CG2-CE2 3.87Å
342V81.8Confident69.9Low23 Ų2387.1 Ų87.114%0.13944%0.438CS..EExtended strand (participates in β ladder)trans-125.2136.1177.7-1670000109.1Y329 L331 K340 L344Y329-V342 PolarHBondContact N-O 3.02Å; Y329-V342 PolarHBondContact O-N 2.72Å; L331-V342 HydrophobicContact CD1-CG2 3.73Å; L331-V342 HydrophobicContact CG-CG2 4.45Å; K340-V342 HydrophobicContact CD-CG2 4.49Å; K340-V342 HydrophobicContact CG-CG2 4.17Å; V342-L344 HydrophobicContact CG1-CD1 4.15Å; V342-L344 HydrophobicContact CG1-CD2 3.73Å; V342-L344 HydrophobicContact CG1-CG 3.71Å
343Y83.2Confident69Low51 Ų5187.4 Ų87.420%0.245%0.448CS..EExtended strand (participates in β ladder)trans-105.7114.1176-56.8-80000108.3V303 L307 V327 R328 I341 M372V303-Y343 HydrophobicContact CG1-CD2 4.32Å; V303-Y343 HydrophobicContact CG1-CG 4.06Å; L307-Y343 HydrophobicContact CD1-CD1 4.29Å; L307-Y343 HydrophobicContact CD1-CD2 3.58Å; L307-Y343 HydrophobicContact CD1-CE1 3.89Å; L307-Y343 HydrophobicContact CD1-CE2 3.16Å; L307-Y343 HydrophobicContact CD1-CG 4.12Å; V327-Y343 WeakPolarHBondContact O-CA 3.43Å; R328-Y343 HydrophobicContact CB-CD1 3.9Å; R328-Y343 HydrophobicContact CB-CE1 3.78Å; R328-Y343 HydrophobicContact CG-CD1 4.05Å; R328-Y343 HydrophobicContact CG-CE1 3.52Å; I341-Y343 HydrophobicContact CG2-CE1 4.15Å; I341-Y343 HydrophobicContact CG2-CE2 3.87Å; Y343-M372 HydrophobicContact CD1-CE 3.19Å; Y343-M372 HydrophobicContact CE1-CE 3.5Å; Y343-M372 HydrophobicContact CG-CE 3.8Å
344L77.6Confident68.3Low12 Ų1290.8 Ų90.86%0.06346%0.464CS..EExtended strand (participates in β ladder)trans-126.9146.1-175.4-61.5171.9000110.5V327 Y329 V342 H354V327-L344 PolarHBondContact N-O 3.46Å; V327-L344 PolarHBondContact O-N 3.45Å; Y329-L344 HydrophobicContact CD2-CB 4.03Å; Y329-L344 HydrophobicContact CD2-CD1 3.82Å; Y329-L344 HydrophobicContact CD2-CG 4.15Å; Y329-L344 HydrophobicContact CE2-CB 3.91Å; Y329-L344 HydrophobicContact CE2-CD1 4.08Å; Y329-L344 HydrophobicContact CE2-CG 4.43Å; V342-L344 HydrophobicContact CG1-CD1 4.15Å; V342-L344 HydrophobicContact CG1-CD2 3.73Å; V342-L344 HydrophobicContact CG1-CG 3.71Å; L344-H354 HydrophobicContact CD1-CB 4.13Å; L344-H354 HydrophobicContact CD2-CB 4.4Å
345N77.5Confident67.7Low77 Ų7789.3 Ų89.341%0.41245%0.451SS..  trans-78145.2164.7-63.8-16.2000109D325 I326 S347 H348D325-N345 WeakPolarHBondContact O-CA 3.36Å; D325-N345 PolarHBondContact O-OD1 2.84Å; D325-N345 VanDerWaalsContact O-OD1 3.1Å; I326-N345 WeakPolarHBondContact CG1-OD1 3.3Å; N345-S347 PolarHBondContact O-N 2.95Å; N345-H348 PolarHBondContact O-N 3.22Å
346P67.4Low67.2Low67 Ų6784.8 Ų84.844%0.43543%0.433SS..THydrogen-bonded Turntrans-53.2-23.3178.6-27.733.1000114.9D325 H348 D349D325-P346 WeakPolarHBondContact O-CD 3.49Å; P346-H348 VanDerWaalsContact C-N 3.33Å; P346-D349 VanDerWaalsContact O-CB 3.23Å; P346-D349 WeakPolarHBondContact O-CB 3.39Å; P346-D349 PolarHBondContact O-N 2.89Å
347S60Low66.6Low103 Ų10382.7 Ų82.772%0.7242%0.419SS*.THydrogen-bonded Turntrans-66.9-32.3175.4-46.40000113.2N345N345-S347 PolarHBondContact O-N 2.95Å
348H59Low66.1Low78 Ų7889 Ų8936%0.36144%0.437SS..THydrogen-bonded Turntrans-92.5-2.3-179.5-69-78.5000113N345 P346 K350 E351N345-H348 PolarHBondContact O-N 3.22Å; P346-H348 VanDerWaalsContact C-N 3.33Å; H348-K350 PolarHBondContact O-N 2.67Å; H348-E351 IonicContact CE1-OE2 2.58Å; H348-E351 IonicContact CG-OE2 3.08Å; H348-E351 IonicContact ND1-OE1 2.88Å; H348-E351 IonicContact ND1-OE2 2.73Å; H348-E351 PolarHBondContact ND1-OE2 3.34Å; H348-E351 PolarHBondContact O-N 3.17Å
349D55.4Low65.2Low69 Ų6989.7 Ų89.737%0.36945%0.445SS..THydrogen-bonded Turntrans-59.9-13179.8-152.235.3000113.4Y329 P346Y329-D349 WeakPolarHBondContact CE2-OD1 3.48Å; Y329-D349 PolarHBondContact OH-OD1 2.84Å; Y329-D349 PolarHBondContact OH-OD2 3.35Å; P346-D349 VanDerWaalsContact O-CB 3.23Å; P346-D349 WeakPolarHBondContact O-CB 3.39Å; P346-D349 PolarHBondContact O-N 2.89Å
350K53.4Low64.2Low191 Ų19186.9 Ų86.983%0.8344%0.436SS*.THydrogen-bonded Turntrans-99.9-7.1179.8-64.1-175.5-178.1177.50114.4H348 K352H348-K350 PolarHBondContact O-N 2.67Å; K350-K352 PolarHBondContact O-N 2.88Å
351E55.4Low63.4Low94 Ų9485 Ų8544%0.43944%0.444SS..  trans-84106.6-179.6-73.5176.1166.300109.2H348 D353 H354H348-E351 IonicContact CE1-OE2 2.58Å; H348-E351 IonicContact CG-OE2 3.08Å; H348-E351 IonicContact ND1-OE1 2.88Å; H348-E351 IonicContact ND1-OE2 2.73Å; H348-E351 PolarHBondContact ND1-OE2 3.34Å; H348-E351 PolarHBondContact O-N 3.17Å; E351-D353 PolarHBondContact O-N 3.02Å; E351-D353 VanDerWaalsContact O-N 3.08Å; E351-H354 PolarHBondContact O-N 3.43Å
352K55.1Low62.4Low165 Ų16581.8 Ų81.872%0.71743%0.429SS*.G310 helixtrans-55.3-25.6-179.9-74-172.9172.1-169.60113.1K350 H354 F355 T356K350-K352 PolarHBondContact O-N 2.88Å; K352-H354 PolarHBondContact O-N 3.4Å; K352-H354 VanDerWaalsContact O-N 3.16Å; K352-F355 PolarHBondContact O-N 2.93Å; K352-T356 PolarHBondContact O-N 3.26Å; K352-T356 PolarHBondContact O-OG1 3.31Å
353D59.9Low61.5Low122 Ų12288 Ų8865%0.65246%0.457SS*.G310 helixtrans-62.4-22.5-176.2-63.6-2.5000113.4E351 T356E351-D353 PolarHBondContact O-N 3.02Å; E351-D353 VanDerWaalsContact O-N 3.08Å; D353-T356 PolarHBondContact O-OG1 2.94Å
354H58Low60.7Low74 Ų7486.2 Ų86.234%0.34345%0.451SS..G310 helixtrans-84.8-18.7176.4-70.3-67.1000114L344 E351 K352L344-H354 HydrophobicContact CD1-CB 4.13Å; L344-H354 HydrophobicContact CD2-CB 4.4Å; E351-H354 PolarHBondContact O-N 3.43Å; K352-H354 PolarHBondContact O-N 3.4Å; K352-H354 VanDerWaalsContact O-N 3.16Å
355F57.9Low60.5Low47 Ų4791.5 Ų91.521%0.20648%0.475CS..THydrogen-bonded Turntrans-99.3-5-179.3-67.4-89.7000112.8L331 K352 M364 L366L331-F355 HydrophobicContact CD1-CD1 4.32Å; L331-F355 HydrophobicContact CD2-CD1 3.59Å; L331-F355 HydrophobicContact CD2-CE1 3.67Å; K352-F355 PolarHBondContact O-N 2.93Å; F355-M364 WeakPolarHBondContact O-CB 3.46Å; F355-M364 PolarHBondContact O-N 2.81Å; F355-L366 HydrophobicContact CE1-CD1 4.41Å
356T57.4Low60.4Low48 Ų4892.1 Ų92.129%0.29448%0.478SS..BIsolated β-bridgetrans-102128.4171.248.30000109.6K352 D353 K358K352-T356 PolarHBondContact O-N 3.26Å; K352-T356 PolarHBondContact O-OG1 3.31Å; D353-T356 PolarHBondContact O-OG1 2.94Å; T356-K358 PolarHBondContact O-N 2.86Å
357D58.2Low60.9Low24 Ų2493 Ų9313%0.12848%0.482CS..  trans-66.1128.1173.2-172.713000110N333 D359 T360 G361 A362 M364N333-D357 PolarHBondContact ND2-OD2 3.45Å; N333-D357 VanDerWaalsContact ND2-OD2 3.08Å; D357-D359 PolarHBondContact O-N 3.46Å; D357-T360 VanDerWaalsContact CB-OG1 3.32Å; D357-T360 WeakPolarHBondContact CB-OG1 3.31Å; D357-T360 PolarHBondContact OD2-OG1 3.48Å; D357-G361 VanDerWaalsContact O-CA 3.26Å; D357-G361 WeakPolarHBondContact O-CA 3.44Å; D357-G361 PolarHBondContact O-N 2.96Å; D357-A362 PolarHBondContact N-O 2.79Å; D357-M364 HydrophobicContact CB-CE 4.24Å; D357-M364 HydrophobicContact CB-CG 4.28Å; D357-M364 HydrophobicContact CB-SD 4.35Å
358K60.4Low61.8Low186 Ų18691.9 Ų91.981%0.80947%0.468SS*.THydrogen-bonded Turntrans-68.3-26.8-172.5-74.3-174.3178.1179.50112.3T356T356-K358 PolarHBondContact O-N 2.86Å
359D56.5Low62.9Low150 Ų15091.1 Ų91.180%0.80247%0.471SS*.THydrogen-bonded Turntrans-90.9-35.8-176.1-61.3-37.1000112.6D357D357-D359 PolarHBondContact O-N 3.46Å
360T54.5Low64.3Low69 Ų6989.1 Ų89.142%0.42346%0.462SS..THydrogen-bonded Turntrans-104.4-14.3-175.859.10000113.9D357 A362D357-T360 VanDerWaalsContact CB-OG1 3.32Å; D357-T360 WeakPolarHBondContact CB-OG1 3.31Å; D357-T360 PolarHBondContact OD2-OG1 3.48Å; T360-A362 PolarHBondContact O-N 3.47Å; T360-A362 VanDerWaalsContact O-N 3.09Å; T360-A362 WeakPolarHBondContact OG1-CB 3.35Å
361G61.6Low65.9Low58 Ų5882.4 Ų82.460%0.59844%0.438SS*.  trans62.48.7-171.800000113.6D357D357-G361 VanDerWaalsContact O-CA 3.26Å; D357-G361 WeakPolarHBondContact O-CA 3.44Å; D357-G361 PolarHBondContact O-N 2.96Å
362A59.3Low67.5Low9 Ų978 Ų787%0.07442%0.417CS..PPolyproline II helixtrans-77.6137.5-178.300000110.3D357 T360 M364D357-A362 PolarHBondContact N-O 2.79Å; T360-A362 PolarHBondContact O-N 3.47Å; T360-A362 VanDerWaalsContact O-N 3.09Å; T360-A362 WeakPolarHBondContact OG1-CB 3.35Å; A362-M364 PolarHBondContact O-N 2.78Å
363E64.7Low69Low153 Ų15370.4 Ų70.472%0.71538%0.384SS*.BIsolated β-bridgetrans-66.9123.8170.7-67.3-173.9161.700109.1
364M66.1Low70.3Confident15 Ų1568.1 Ų68.17%0.07437%0.369CS..EExtended strand (participates in β ladder)trans-87.1132.3174.8-63-170.5-90.700110L331 N333 K340 F355 D357 A362L331-M364 HydrophobicContact CB-CB 3.95Å; L331-M364 HydrophobicContact CB-SD 4.11Å; L331-M364 HydrophobicContact CD1-CB 4.42Å; L331-M364 HydrophobicContact CD1-CE 3.99Å; L331-M364 HydrophobicContact CD1-SD 4.33Å; N333-M364 HydrophobicContact CB-CG 4.46Å; K340-M364 HydrophobicContact CB-SD 4.19Å; K340-M364 HydrophobicContact CD-CE 4Å; K340-M364 HydrophobicContact CD-SD 4.11Å; F355-M364 WeakPolarHBondContact O-CB 3.46Å; F355-M364 PolarHBondContact O-N 2.81Å; D357-M364 HydrophobicContact CB-CE 4.24Å; D357-M364 HydrophobicContact CB-CG 4.28Å; D357-M364 HydrophobicContact CB-SD 4.35Å; A362-M364 PolarHBondContact O-N 2.78Å
365E73.2Confident71.8Confident123 Ų12366.2 Ų66.258%0.57536%0.359SS*.EExtended strand (participates in β ladder)trans-80.4134.1178.7-77-178.117400110.8L331 R332 T334 V367L331-E365 CarbonylContact C-O 3.58Å; L331-E365 WeakPolarHBondContact CA-O 3.42Å; R332-E365 PolarHBondContact N-O 2.85Å; R332-E365 PolarHBondContact O-N 2.83Å; T334-E365 HydrophobicContact CG2-CB 4.4Å; T334-E365 VanDerWaalsContact CG2-CD 3.43Å; T334-E365 HydrophobicContact CG2-CG 3.59Å; E365-V367 PolarHBondContact O-N 3.26Å
366L75.1Confident73.3Confident90 Ų9064.1 Ų64.147%0.47135%0.35SS..EExtended strand (participates in β ladder)trans-73.1111.2172.6-176.873.6000109.9Y329 L331 F355Y329-L366 HydrophobicContact CD1-CD1 3.4Å; Y329-L366 VanDerWaalsContact CD1-CD1 3.4Å; Y329-L366 HydrophobicContact CE1-CD1 4.2Å; Y329-L366 HydrophobicContact CG-CD1 4.06Å; L331-L366 HydrophobicContact CD2-CB 4.42Å; L331-L366 HydrophobicContact CD2-CD1 3.95Å; F355-L366 HydrophobicContact CE1-CD1 4.41Å
367V77.6Confident74.7Confident84 Ų8461.9 Ų61.951%0.50934%0.336SS..EExtended strand (participates in β ladder)trans-86.6-49.4178.4-179.10000111T330 R332 E365T330-V367 HydrophobicContact CG2-CB 4.44Å; T330-V367 WeakPolarHBondContact O-CB 3.22Å; T330-V367 PolarHBondContact O-N 3Å; R332-V367 HydrophobicContact CB-CG2 3.43Å; R332-V367 VanDerWaalsContact CB-CG2 3.43Å; E365-V367 PolarHBondContact O-N 3.26Å
368D79.1Confident76.1Confident80 Ų8065 Ų6543%0.42835%0.353SS..EExtended strand (participates in β ladder)trans-147.8149.6-176-161.711.5000111.2Y329 T330 V370Y329-D368 WeakPolarHBondContact CA-O 3.27Å; T330-D368 PolarHBondContact N-O 3.12Å; T330-D368 PolarHBondContact O-N 3.12Å; D368-V370 WeakPolarHBondContact OD2-CG2 3.47Å
369S82.6Confident77.4Confident63 Ų6358.3 Ų58.344%0.44133%0.326SS..EExtended strand (participates in β ladder)trans-134.5105.6179.9610000108.5
370V84.7Confident78.9Confident27 Ų2751.5 Ų51.516%0.16429%0.289CS..EExtended strand (participates in β ladder)trans-123.9128.1-176.7-175.70000109.1R328 D368 M372 E374 W375R328-V370 WeakPolarHBondContact CB-O 3.42Å; R328-V370 PolarHBondContact N-O 3.01Å; R328-V370 PolarHBondContact O-N 3.25Å; D368-V370 WeakPolarHBondContact OD2-CG2 3.47Å; V370-M372 PolarHBondContact O-N 2.96Å; V370-E374 HydrophobicContact CG1-CB 4.43Å; V370-W375 HydrophobicContact CG1-CB 4.08Å
371P87.6Confident80.4Confident50 Ų5054 Ų5433%0.32529%0.294SS..EExtended strand (participates in β ladder)trans-55.7132.2172.6-25.635.7000110.8L373 E374 W375P371-L373 VanDerWaalsContact C-N 3.29Å; P371-L373 PolarHBondContact O-N 3.42Å; P371-E374 HydrophobicContact CB-CB 4.24Å; P371-E374 WeakPolarHBondContact O-CB 3.23Å; P371-E374 PolarHBondContact O-N 3.29Å; P371-W375 PolarHBondContact O-N 3.29Å
372M87.7Confident81.6Confident1 Ų157.4 Ų57.41%0.00530%0.299CS..Hα-helixtrans-56.4-44-172.9170.9175.2-101.100112.2V303 L307 L324 I326 Y343 V370 E374 W375 L376 I407V303-M372 HydrophobicContact CG1-CE 3.43Å; V303-M372 VanDerWaalsContact CG1-CE 3.43Å; V303-M372 HydrophobicContact CG1-SD 4.33Å; L307-M372 HydrophobicContact CD1-CE 3.9Å; L307-M372 HydrophobicContact CD2-CE 4.35Å; L307-M372 HydrophobicContact CG-CE 4.36Å; L324-M372 HydrophobicContact CD2-CB 4.34Å; L324-M372 HydrophobicContact CD2-CG 4.05Å; L324-M372 HydrophobicContact CD2-SD 3.73Å; I326-M372 HydrophobicContact CB-CB 4.15Å; I326-M372 HydrophobicContact CB-SD 4.04Å; I326-M372 HydrophobicContact CD1-SD 4.23Å; I326-M372 HydrophobicContact CG2-CB 3.97Å; I326-M372 HydrophobicContact CG2-CE 4.03Å; I326-M372 HydrophobicContact CG2-CG 4.47Å; I326-M372 HydrophobicContact CG2-SD 3.65Å; I326-M372 VanDerWaalsContact O-CB 3.28Å; I326-M372 WeakPolarHBondContact O-CB 2.83Å; I326-M372 PolarHBondContact O-N 3.29Å; Y343-M372 HydrophobicContact CD1-CE 3.19Å; Y343-M372 HydrophobicContact CE1-CE 3.5Å; Y343-M372 HydrophobicContact CG-CE 3.8Å; V370-M372 PolarHBondContact O-N 2.96Å; M372-E374 PolarHBondContact O-N 3.39Å; M372-W375 PolarHBondContact O-N 2.84Å; M372-L376 HydrophobicContact CG-CD1 3.91Å; M372-L376 HydrophobicContact CG-CG 4.33Å; M372-L376 WeakPolarHBondContact O-CG 3.38Å; M372-L376 PolarHBondContact O-N 3.42Å; M372-I407 HydrophobicContact SD-CD1 3.81Å
373L87.6Confident83Confident5 Ų559.6 Ų59.63%0.02631%0.307CS..Hα-helixtrans-61.2-33178.9-174.758.3000112.8W13 C320 E322 P371 A377 I389W13-L373 HydrophobicContact CD2-CD2 4.46Å; W13-L373 HydrophobicContact CH2-CB 4.15Å; W13-L373 HydrophobicContact CH2-CD2 3.84Å; W13-L373 HydrophobicContact CH2-CG 3.65Å; W13-L373 HydrophobicContact CZ2-CB 4.28Å; W13-L373 HydrophobicContact CZ2-CD2 3.2Å; W13-L373 HydrophobicContact CZ2-CG 3.6Å; W13-L373 HydrophobicContact CZ3-CG 4.28Å; C320-L373 HydrophobicContact CB-CD1 3.66Å; E322-L373 WeakPolarHBondContact O-CD2 3.1Å; P371-L373 VanDerWaalsContact C-N 3.29Å; P371-L373 PolarHBondContact O-N 3.42Å; L373-A377 VanDerWaalsContact O-CB 3.26Å; L373-A377 WeakPolarHBondContact O-CB 3.46Å; L373-A377 PolarHBondContact O-N 2.65Å; L373-I389 HydrophobicContact CD1-CD1 4.48Å; L373-I389 HydrophobicContact CD1-CG1 4.4Å
374E86.7Confident84Confident74 Ų7454.2 Ų54.235%0.34629%0.292SS..Hα-helixtrans-73.9-39.9176.6-176.5169.7172.500111.8K17 V370 P371 M372 L376 A377 N378K17-E374 IonicContact NZ-OE2 4Å; K17-E374 PolarHBondContact NZ-OE2 3.22Å; V370-E374 HydrophobicContact CG1-CB 4.43Å; P371-E374 HydrophobicContact CB-CB 4.24Å; P371-E374 WeakPolarHBondContact O-CB 3.23Å; P371-E374 PolarHBondContact O-N 3.29Å; M372-E374 PolarHBondContact O-N 3.39Å; E374-L376 VanDerWaalsContact C-N 3.35Å; E374-A377 PolarHBondContact O-N 2.58Å; E374-N378 PolarHBondContact O-N 2.81Å; E374-N378 PolarHBondContact O-ND2 2.73Å
375W88.9Confident85Confident34 Ų3453.8 Ų53.813%0.12929%0.291CS..Hα-helixtrans-61.6-44.6172.7-178.584.4000111.4L307 L310 R328 V370 P371 M372 N378 N379 F383L307-W375 HydrophobicContact CD2-CZ3 4.2Å; L310-W375 HydrophobicContact CD2-CZ3 4.48Å; R328-W375 VanDerWaalsContact CZ-NE1 3.3Å; R328-W375 VanDerWaalsContact NH1-CD1 3.29Å; R328-W375 VanDerWaalsContact NH1-NE1 3.16Å; V370-W375 HydrophobicContact CG1-CB 4.08Å; P371-W375 PolarHBondContact O-N 3.29Å; M372-W375 PolarHBondContact O-N 2.84Å; W375-N378 PolarHBondContact O-N 3.45Å; W375-N379 HydrophobicContact CZ2-CB 4.41Å; W375-N379 PolarHBondContact NE1-ND2 2.94Å; W375-N379 WeakPolarHBondContact O-CB 3.4Å; W375-N379 PolarHBondContact O-N 2.82Å; W375-N379 PolarHBondContact O-ND2 3.43Å; W375-F383 AromaticContact CH2-CE2 3.79Å; W375-F383 HydrophobicContact CH2-CE2 3.79Å; W375-F383 AromaticContact CH2-CZ 3.76Å; W375-F383 HydrophobicContact CH2-CZ 3.76Å; W375-F383 HydrophobicContact CZ2-CE2 4.39Å; W375-F383 HydrophobicContact CZ2-CZ 4.31Å; W375-F383 HydrophobicContact CZ3-CE2 4.38Å
376L89.6Confident85.8Confident3 Ų350.8 Ų50.82%0.01628%0.282CS..Hα-helixtrans-61.9-46.3175.7-71.8172.3000111.3L310 L318 M372 E374 N378 N379 Y380 I407L310-L376 HydrophobicContact CD2-CD2 3.83Å; L318-L376 HydrophobicContact CD2-CD1 4.06Å; L318-L376 HydrophobicContact CD2-CD2 3.7Å; L318-L376 HydrophobicContact CD2-CG 4.31Å; M372-L376 HydrophobicContact CG-CD1 3.91Å; M372-L376 HydrophobicContact CG-CG 4.33Å; M372-L376 WeakPolarHBondContact O-CG 3.38Å; M372-L376 PolarHBondContact O-N 3.42Å; E374-L376 VanDerWaalsContact C-N 3.35Å; L376-N378 PolarHBondContact O-N 3.07Å; L376-N378 VanDerWaalsContact O-N 3.13Å; L376-N379 PolarHBondContact O-N 3.41Å; L376-Y380 VanDerWaalsContact O-CB 3.28Å; L376-Y380 WeakPolarHBondContact O-CB 3.25Å; L376-Y380 VanDerWaalsContact O-CD1 3.29Å; L376-Y380 WeakPolarHBondContact O-CD1 3.39Å; L376-Y380 PolarHBondContact O-N 2.94Å; L376-I407 HydrophobicContact CD1-CD1 4.3Å
377A87.6Confident86.6Confident1 Ų146.6 Ų46.61%0.00826%0.259CS..Hα-helixtrans-62.3-19.8178.900000114.5V10 W13 K14 L373 E374 Y380 L387V10-A377 HydrophobicContact CG1-CB 3.78Å; W13-A377 HydrophobicContact CZ3-CB 4.21Å; K14-A377 WeakPolarHBondContact CE-O 3.49Å; K14-A377 PolarHBondContact NZ-O 3.26Å; K14-A377 VanDerWaalsContact NZ-O 3.12Å; L373-A377 VanDerWaalsContact O-CB 3.26Å; L373-A377 WeakPolarHBondContact O-CB 3.46Å; L373-A377 PolarHBondContact O-N 2.65Å; E374-A377 PolarHBondContact O-N 2.58Å; A377-Y380 WeakPolarHBondContact O-CD1 3.33Å; A377-Y380 WeakPolarHBondContact O-CE1 3.49Å; A377-L387 HydrophobicContact CB-CD2 4.03Å
378N87Confident87.1Confident91 Ų9144.5 Ų44.549%0.48724%0.244SC..Hα-helixtrans-96.6-29.8176.3-68.3-26000112.9K14 E374 W375 L376K14-N378 WeakPolarHBondContact CE-OD1 3.32Å; K14-N378 PolarHBondContact NZ-OD1 3.01Å; E374-N378 PolarHBondContact O-N 2.81Å; E374-N378 PolarHBondContact O-ND2 2.73Å; W375-N378 PolarHBondContact O-N 3.45Å; L376-N378 PolarHBondContact O-N 3.07Å; L376-N378 VanDerWaalsContact O-N 3.13Å
379N87.6Confident87.6Confident44 Ų4442 Ų4224%0.23523%0.23CC..Hα-helixtrans-110.5-10.8-171.1-64.9-60.8000115.2W375 L376 K381 N382 F383W375-N379 HydrophobicContact CZ2-CB 4.41Å; W375-N379 PolarHBondContact NE1-ND2 2.94Å; W375-N379 WeakPolarHBondContact O-CB 3.4Å; W375-N379 PolarHBondContact O-N 2.82Å; W375-N379 PolarHBondContact O-ND2 3.43Å; L376-N379 PolarHBondContact O-N 3.41Å; N379-K381 PolarHBondContact O-N 3.34Å; N379-K381 VanDerWaalsContact O-N 3.08Å; N379-N382 WeakPolarHBondContact O-CB 3.42Å; N379-N382 PolarHBondContact O-N 3.11Å; N379-F383 HydrophobicContact CB-CE2 4.08Å; N379-F383 VanDerWaalsContact O-CD2 3.29Å; N379-F383 WeakPolarHBondContact O-CD2 3.4Å
380Y87.8Confident87.9Confident7 Ų739 Ų393%0.02721%0.21CC..G310 helixtrans-54-34.7-17673.3-78.9000113.7D7 V10 L376 A377 N382 F383 G384 A385 L387D7-Y380 WeakPolarHBondContact OD1-CE2 3.49Å; D7-Y380 PolarHBondContact OD1-OH 2.94Å; V10-Y380 HydrophobicContact CG1-CE1 4.34Å; L376-Y380 VanDerWaalsContact O-CB 3.28Å; L376-Y380 WeakPolarHBondContact O-CB 3.25Å; L376-Y380 VanDerWaalsContact O-CD1 3.29Å; L376-Y380 WeakPolarHBondContact O-CD1 3.39Å; L376-Y380 PolarHBondContact O-N 2.94Å; A377-Y380 WeakPolarHBondContact O-CD1 3.33Å; A377-Y380 WeakPolarHBondContact O-CE1 3.49Å; Y380-N382 PolarHBondContact O-N 2.97Å; Y380-F383 PolarHBondContact O-N 3.33Å; Y380-G384 PolarHBondContact O-N 3.4Å; Y380-A385 WeakPolarHBondContact CD2-O 3.43Å; Y380-L387 HydrophobicContact CD1-CB 4.22Å; Y380-L387 HydrophobicContact CD1-CD2 4.25Å; Y380-L387 HydrophobicContact CD2-CB 3.77Å; Y380-L387 HydrophobicContact CE2-CB 4.25Å; Y380-L387 HydrophobicContact CG-CB 3.75Å; Y380-L387 HydrophobicContact CG-CD2 4.48Å
381K85.6Confident88Confident122 Ų12238.2 Ų38.253%0.5321%0.205SC..G310 helixtrans-62.1-30.3178-64.8-172.1-179-178.80113N379 F383 G384N379-K381 PolarHBondContact O-N 3.34Å; N379-K381 VanDerWaalsContact O-N 3.08Å; K381-F383 VanDerWaalsContact C-N 3.3Å; K381-F383 PolarHBondContact O-N 2.87Å; K381-G384 PolarHBondContact O-N 2.94Å
382N88.6Confident87.9Confident130 Ų13039.3 Ų39.370%0.69521%0.208SC*.G310 helixtrans-71.5-27.9-180-62.3-20.8000111.9N379 Y380N379-N382 WeakPolarHBondContact O-CB 3.42Å; N379-N382 PolarHBondContact O-N 3.11Å; Y380-N382 PolarHBondContact O-N 2.97Å
383F87.5Confident87.6Confident54 Ų5445.2 Ų45.224%0.23723%0.234CC..G310 helixtrans-87.5-6.5179.2-59.7-75.1000113.3L310 W375 N379 Y380 K381 A385L310-F383 HydrophobicContact CD1-CB 3.59Å; L310-F383 HydrophobicContact CD1-CD2 4.12Å; L310-F383 HydrophobicContact CD1-CG 3.87Å; L310-F383 HydrophobicContact CD2-CD1 4.49Å; L310-F383 HydrophobicContact CD2-CD2 3.7Å; L310-F383 HydrophobicContact CD2-CE2 3.84Å; L310-F383 HydrophobicContact CD2-CG 4.05Å; L310-F383 HydrophobicContact CD2-CZ 4.31Å; L310-F383 HydrophobicContact CG-CB 3.85Å; L310-F383 HydrophobicContact CG-CD1 3.88Å; L310-F383 HydrophobicContact CG-CD2 3.76Å; L310-F383 HydrophobicContact CG-CE1 4.35Å; L310-F383 HydrophobicContact CG-CE2 4.25Å; L310-F383 HydrophobicContact CG-CG 3.56Å; L310-F383 VanDerWaalsContact O-CD1 3.3Å; L310-F383 WeakPolarHBondContact O-CD1 3.43Å; W375-F383 AromaticContact CH2-CE2 3.79Å; W375-F383 HydrophobicContact CH2-CE2 3.79Å; W375-F383 AromaticContact CH2-CZ 3.76Å; W375-F383 HydrophobicContact CH2-CZ 3.76Å; W375-F383 HydrophobicContact CZ2-CE2 4.39Å; W375-F383 HydrophobicContact CZ2-CZ 4.31Å; W375-F383 HydrophobicContact CZ3-CE2 4.38Å; N379-F383 HydrophobicContact CB-CE2 4.08Å; N379-F383 VanDerWaalsContact O-CD2 3.29Å; N379-F383 WeakPolarHBondContact O-CD2 3.4Å; Y380-F383 PolarHBondContact O-N 3.33Å; K381-F383 VanDerWaalsContact C-N 3.3Å; K381-F383 PolarHBondContact O-N 2.87Å; F383-A385 PolarHBondContact O-N 3Å
384G85.8Confident87.3Confident40 Ų4045.2 Ų45.241%0.41223%0.234SC..THydrogen-bonded Turntrans69.114.6-174.900000114.1Y380 K381 R412Y380-G384 PolarHBondContact O-N 3.4Å; K381-G384 PolarHBondContact O-N 2.94Å; G384-R412 PolarHBondContact O-NH2 2.9Å
385A88Confident87.3Confident6 Ų648.5 Ų48.55%0.0525%0.25CC..PPolyproline II helixtrans-87.1157173.900000110.8L310 V315 Y380 F383L310-A385 HydrophobicContact CD1-CB 3.74Å; V315-A385 HydrophobicContact CB-CB 4.43Å; V315-A385 HydrophobicContact CG1-CB 4.25Å; Y380-A385 WeakPolarHBondContact CD2-O 3.43Å; F383-A385 PolarHBondContact O-N 3Å
386T89.7Confident87.1Confident61 Ų6148.9 Ų48.937%0.37425%0.253SS..EExtended strand (participates in β ladder)trans-99.1126.3167.853.30000109.2E316 I317 L318E316-T386 PolarHBondContact O-N 2.73Å; E316-T386 PolarHBondContact O-OG1 2.85Å; I317-T386 CarbonylContact C-O 3.54Å; I317-T386 WeakPolarHBondContact CA-O 3.38Å; I317-T386 WeakPolarHBondContact CA-OG1 3.45Å; I317-T386 WeakPolarHBondContact CG1-OG1 3.18Å; L318-T386 PolarHBondContact N-O 3.4Å
387L91.1Very high87Confident1 Ų148.8 Ų48.81%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-92.5122.3178.7176.566.1000110V10 L318 C320 A377 Y380 I389V10-L387 HydrophobicContact CG1-CD2 4.25Å; V10-L387 HydrophobicContact CG2-CB 4.2Å; V10-L387 HydrophobicContact CG2-CD2 3.91Å; V10-L387 HydrophobicContact CG2-CG 4.07Å; L318-L387 HydrophobicContact CB-CD1 4.4Å; L318-L387 HydrophobicContact CD2-CD1 3.92Å; L318-L387 HydrophobicContact CG-CD1 4.07Å; C320-L387 HydrophobicContact CB-CD1 4.22Å; A377-L387 HydrophobicContact CB-CD2 4.03Å; Y380-L387 HydrophobicContact CD1-CB 4.22Å; Y380-L387 HydrophobicContact CD1-CD2 4.25Å; Y380-L387 HydrophobicContact CD2-CB 3.77Å; Y380-L387 HydrophobicContact CE2-CB 4.25Å; Y380-L387 HydrophobicContact CG-CB 3.75Å; Y380-L387 HydrophobicContact CG-CD2 4.48Å; L387-I389 HydrophobicContact CD2-CG1 4.48Å; L387-I389 HydrophobicContact CG-CG1 4.31Å
388E89.5Confident87.1Confident41 Ų4150 Ų5019%0.19226%0.262CS..EExtended strand (participates in β ladder)trans-117.1120.7173.9-73.5-71.1-17900109.9A6 L284 I317 L318 I319 C320A6-E388 WeakPolarHBondContact CB-OE1 3.47Å; L284-E388 HydrophobicContact CD2-CB 3.41Å; L284-E388 VanDerWaalsContact CD2-CB 3.41Å; L284-E388 HydrophobicContact CD2-CG 3.66Å; I317-E388 HydrophobicContact CG2-CB 4.24Å; I317-E388 HydrophobicContact CG2-CG 3.81Å; L318-E388 PolarHBondContact O-N 2.79Å; I319-E388 WeakPolarHBondContact CA-O 3.44Å; C320-E388 PolarHBondContact N-O 2.88Å
389I88.6Confident87.3Confident26 Ų2650.3 Ų50.313%0.13326%0.26CS..EExtended strand (participates in β ladder)trans-96.4121.1-179.7-56.7177.1000108.5V10 W13 C320 E322 L373 L387V10-I389 HydrophobicContact CG2-CD1 4.3Å; W13-I389 HydrophobicContact CB-CD1 3.64Å; W13-I389 HydrophobicContact CD2-CD1 3.77Å; W13-I389 HydrophobicContact CE3-CD1 4.09Å; W13-I389 HydrophobicContact CG-CD1 3.55Å; W13-I389 HydrophobicContact CG-CG2 4.47Å; C320-I389 CarbonylContact O-C 3.49Å; C320-I389 VanDerWaalsContact O-CA 3.3Å; C320-I389 WeakPolarHBondContact O-CA 3.25Å; E322-I389 HydrophobicContact CB-CG2 3.77Å; L373-I389 HydrophobicContact CD1-CD1 4.48Å; L373-I389 HydrophobicContact CD1-CG1 4.4Å; L387-I389 HydrophobicContact CD2-CG1 4.48Å; L387-I389 HydrophobicContact CG-CG1 4.31Å
390V88.4Confident87.4Confident2 Ų248.2 Ų48.21%0.01225%0.249CC..EExtended strand (participates in β ladder)trans-112.8161.7-176-590000112.2E281 L284 I285 I319 C320 W321 E322 F400E281-V390 HydrophobicContact CG-CB 4.01Å; E281-V390 HydrophobicContact CG-CG1 3.94Å; L284-V390 HydrophobicContact CD2-CG1 4.33Å; I285-V390 HydrophobicContact CD1-CB 4.2Å; I285-V390 HydrophobicContact CD1-CG1 4.23Å; I285-V390 HydrophobicContact CG1-CG1 4.31Å; I319-V390 HydrophobicContact CG2-CB 4.41Å; I319-V390 HydrophobicContact CG2-CG1 3.67Å; I319-V390 HydrophobicContact CG2-CG2 3.78Å; C320-V390 PolarHBondContact O-N 2.89Å; W321-V390 WeakPolarHBondContact CA-O 3.49Å; E322-V390 PolarHBondContact N-O 2.88Å; V390-F400 HydrophobicContact CG2-CD1 3.98Å; V390-F400 HydrophobicContact CG2-CE1 3.99Å
391T86.3Confident87.5Confident9 Ų949.1 Ų49.16%0.05526%0.255CS..  trans-115.3164.2179.668.30000111.4N162 E281 E322 K393 G397N162-T391 VanDerWaalsContact ND2-CG2 3.3Å; N162-T391 WeakPolarHBondContact ND2-CG2 3.32Å; N162-T391 PolarHBondContact ND2-OG1 3.28Å; N162-T391 VanDerWaalsContact ND2-OG1 3.11Å; E281-T391 VanDerWaalsContact CD-N 3.31Å; E281-T391 WeakPolarHBondContact OE1-CA 3.47Å; E281-T391 PolarHBondContact OE1-N 3.27Å; E281-T391 VanDerWaalsContact OE1-O 3.09Å; E281-T391 PolarHBondContact OE1-OG1 3.18Å; E281-T391 PolarHBondContact OE2-N 3.4Å; E281-T391 PolarHBondContact OE2-OG1 3.14Å; E322-T391 HydrophobicContact CG-CG2 4.34Å; T391-K393 VanDerWaalsContact C-N 3.31Å; T391-G397 WeakPolarHBondContact O-CA 2.96Å
392D87Confident87.6Confident74 Ų7454 Ų5440%0.39627%0.271SS..SBendtrans-93.212.6175.766.1-24.3000112.8W321 V401W321-D392 HydrophobicContact CZ2-CB 4.37Å; D392-V401 HydrophobicContact CB-CG2 4.24Å
393K82Confident87.5Confident125 Ų12550.6 Ų50.654%0.54327%0.266SS..SBendtrans-76.7-25.9-176.3-63.8-172179.7-174.40113.3N162 T391N162-K393 HydrophobicContact CB-CD 4.21Å; T391-K393 VanDerWaalsContact C-N 3.31Å
394S81.3Confident87.5Confident5 Ų550.4 Ų50.44%0.03527%0.265CS..SBendtrans-86.8156.9173.162.10000110.4E396 G397 A398S394-E396 VanDerWaalsContact C-N 3.26Å; S394-E396 PolarHBondContact O-N 3.3Å; S394-G397 PolarHBondContact O-N 2.8Å; S394-G397 WeakPolarHBondContact OG-CA 3.4Å; S394-G397 PolarHBondContact OG-N 3.4Å; S394-A398 WeakPolarHBondContact O-CB 3.04Å; S394-A398 PolarHBondContact O-N 2.89Å
395Q84.7Confident87.4Confident143 Ų14350.9 Ų50.967%0.66827%0.27SS*.Hα-helixtrans-63.8-39.3176.1-179.9178.1-13.900110.5A398 Q399Q395-A398 PolarHBondContact O-N 3.31Å; Q395-Q399 WeakPolarHBondContact O-CG 3.42Å; Q395-Q399 PolarHBondContact O-N 3.19Å
396E86.7Confident87.3Confident42 Ų4250.6 Ų50.620%0.19627%0.268CS..Hα-helixtrans-64.2-44176-6280.6179.600111.2K282 I285 F289 S394 Q399 F400K282-E396 VanDerWaalsContact CE-CD 3.48Å; K282-E396 WeakPolarHBondContact CE-OE1 3.21Å; K282-E396 HydrophobicContact CG-CG 4.34Å; K282-E396 IonicContact NZ-OE1 2.79Å; I285-E396 HydrophobicContact CB-CB 4.21Å; I285-E396 HydrophobicContact CG2-CB 3.75Å; F289-E396 HydrophobicContact CE2-CB 4.2Å; S394-E396 VanDerWaalsContact C-N 3.26Å; S394-E396 PolarHBondContact O-N 3.3Å; E396-Q399 WeakPolarHBondContact O-CB 3.41Å; E396-Q399 PolarHBondContact O-N 3.48Å; E396-F400 PolarHBondContact O-N 3.02Å
397G87.3Confident87.4Confident0 Ų047.8 Ų47.80%025%0.251CS..Hα-helixtrans-62-43.1173.800000112.8T391 S394 Q399 F400 V401T391-G397 WeakPolarHBondContact O-CA 2.96Å; S394-G397 PolarHBondContact O-N 2.8Å; S394-G397 WeakPolarHBondContact OG-CA 3.4Å; S394-G397 PolarHBondContact OG-N 3.4Å; G397-Q399 VanDerWaalsContact C-N 3.3Å; G397-Q399 PolarHBondContact O-N 3.35Å; G397-F400 PolarHBondContact O-N 3.34Å; G397-V401 WeakPolarHBondContact O-CG2 3.5Å; G397-V401 PolarHBondContact O-N 3.31Å
398A89Confident87.5Confident26 Ų2647.8 Ų47.822%0.21525%0.25CS..Hα-helixtrans-63.1-35.8174.800000112.6S394 Q395 R402S394-A398 WeakPolarHBondContact O-CB 3.04Å; S394-A398 PolarHBondContact O-N 2.89Å; Q395-A398 PolarHBondContact O-N 3.31Å; A398-R402 WeakPolarHBondContact O-CB 3.32Å; A398-R402 WeakPolarHBondContact O-CG 3.49Å; A398-R402 PolarHBondContact O-N 3.03Å
399Q90.3Very high87.6Confident98 Ų9845.8 Ų45.846%0.45824%0.241SC..Hα-helixtrans-68.3-42173.2-74.9177.8-400111.9F289 Q395 E396 G397 G403F289-Q399 HydrophobicContact CE2-CB 4.29Å; F289-Q399 HydrophobicContact CZ-CB 3.89Å; Q395-Q399 WeakPolarHBondContact O-CG 3.42Å; Q395-Q399 PolarHBondContact O-N 3.19Å; E396-Q399 WeakPolarHBondContact O-CB 3.41Å; E396-Q399 PolarHBondContact O-N 3.48Å; G397-Q399 VanDerWaalsContact C-N 3.3Å; G397-Q399 PolarHBondContact O-N 3.35Å; Q399-G403 WeakPolarHBondContact O-CA 3.45Å; Q399-G403 PolarHBondContact O-N 2.97Å
400F91.1Very high87.8Confident0 Ų044.7 Ų44.70%024%0.236CC..Hα-helixtrans-60.1-46.9176.6178.4-106.9000111.7I285 Y288 F289 I319 V390 E396 G397 F404 G406I285-F400 HydrophobicContact CG2-CB 4.35Å; Y288-F400 HydrophobicContact CD1-CD2 4.09Å; Y288-F400 HydrophobicContact CD1-CE2 4.28Å; Y288-F400 AromaticContact CE1-CD2 3.75Å; Y288-F400 HydrophobicContact CE1-CD2 3.75Å; Y288-F400 AromaticContact CE1-CE2 3.79Å; Y288-F400 HydrophobicContact CE1-CE2 3.79Å; F289-F400 HydrophobicContact CZ-CB 4.33Å; I319-F400 HydrophobicContact CB-CZ 3.97Å; I319-F400 HydrophobicContact CG2-CD1 4.48Å; I319-F400 HydrophobicContact CG2-CE1 3.78Å; I319-F400 HydrophobicContact CG2-CE2 4.26Å; I319-F400 HydrophobicContact CG2-CZ 3.65Å; V390-F400 HydrophobicContact CG2-CD1 3.98Å; V390-F400 HydrophobicContact CG2-CE1 3.99Å; E396-F400 PolarHBondContact O-N 3.02Å; G397-F400 PolarHBondContact O-N 3.34Å; F400-F404 HydrophobicContact CD2-CB 4.36Å; F400-F404 HydrophobicContact CE2-CB 4.49Å; F400-F404 WeakPolarHBondContact O-CA 3.27Å; F400-F404 WeakPolarHBondContact O-CB 3.47Å; F400-F404 PolarHBondContact O-N 3.46Å; F400-G406 VanDerWaalsContact CE1-C 3.48Å; F400-G406 WeakPolarHBondContact CE1-O 3.34Å
401V89.4Confident88Confident26 Ų2644.7 Ų44.716%0.15824%0.236CC..Hα-helixtrans-66.7-48.9179.5176.20000111.8W321 D392 G397 G405W321-V401 HydrophobicContact CB-CG2 3.94Å; W321-V401 HydrophobicContact CD2-CB 4.48Å; W321-V401 HydrophobicContact CD2-CG1 3.95Å; W321-V401 HydrophobicContact CD2-CG2 3.61Å; W321-V401 HydrophobicContact CE3-CG1 3.81Å; W321-V401 HydrophobicContact CE3-CG2 4.25Å; W321-V401 HydrophobicContact CG-CG2 3.45Å; W321-V401 VanDerWaalsContact CG-CG2 3.45Å; W321-V401 HydrophobicContact CH2-CG1 4.1Å; W321-V401 HydrophobicContact CZ2-CG1 4.21Å; W321-V401 HydrophobicContact CZ3-CG1 3.89Å; D392-V401 HydrophobicContact CB-CG2 4.24Å; G397-V401 WeakPolarHBondContact O-CG2 3.5Å; G397-V401 PolarHBondContact O-N 3.31Å; V401-G405 PolarHBondContact O-N 2.88Å
402R88.2Confident88.2Confident225 Ų22550.4 Ų50.485%0.84926%0.256SS*.Hα-helixtrans-75.1-31.8-176.2-68.5-179.6-177.2176.42.3113.8A398A398-R402 WeakPolarHBondContact O-CB 3.32Å; A398-R402 WeakPolarHBondContact O-CG 3.49Å; A398-R402 PolarHBondContact O-N 3.03Å
403G86.4Confident88.3Confident58 Ų5852 Ų5260%0.59826%0.257SS*.Hα-helixtrans-90.6-36.5-175.400000113.8Q399Q399-G403 WeakPolarHBondContact O-CA 3.45Å; Q399-G403 PolarHBondContact O-N 2.97Å
404F86.5Confident88.5Confident50 Ų5053 Ų5322%0.21926%0.257CS..Hα-helixtrans-121.19.8-169.1-59.3-86.7000113.4Y288 F289 I292 F301 F400 G406Y288-F404 HydrophobicContact CE1-CG 4.47Å; F289-F404 HydrophobicContact CD1-CE2 4.34Å; F289-F404 HydrophobicContact CE1-CD2 4.08Å; F289-F404 AromaticContact CE1-CE2 3.52Å; F289-F404 HydrophobicContact CE1-CE2 3.52Å; F289-F404 HydrophobicContact CE1-CZ 4.28Å; F289-F404 HydrophobicContact CZ-CE2 4.41Å; I292-F404 HydrophobicContact CD1-CE1 3.8Å; I292-F404 HydrophobicContact CD1-CE2 4.46Å; I292-F404 HydrophobicContact CD1-CZ 3.73Å; F301-F404 HydrophobicContact CB-CB 4.14Å; F301-F404 HydrophobicContact CB-CD1 3.62Å; F301-F404 HydrophobicContact CB-CG 4.33Å; F301-F404 HydrophobicContact CD1-CD1 4.34Å; F301-F404 HydrophobicContact CD2-CD1 4.24Å; F301-F404 AromaticContact CG-CD1 3.83Å; F301-F404 HydrophobicContact CG-CD1 3.83Å; F301-F404 HydrophobicContact CG-CE1 4.46Å; F400-F404 HydrophobicContact CD2-CB 4.36Å; F400-F404 HydrophobicContact CE2-CB 4.49Å; F400-F404 WeakPolarHBondContact O-CA 3.27Å; F400-F404 WeakPolarHBondContact O-CB 3.47Å; F400-F404 PolarHBondContact O-N 3.46Å; F404-G406 VanDerWaalsContact C-N 3.28Å; F404-G406 PolarHBondContact O-N 3.34Å
405G83.4Confident88.5Confident50 Ų5054.3 Ų54.352%0.51526%0.264SS..THydrogen-bonded Turntrans76.49.9175.900000114.8V401 I407V401-G405 PolarHBondContact O-N 2.88Å; G405-I407 VanDerWaalsContact C-N 3.27Å; G405-I407 PolarHBondContact O-N 3.24Å
406G87.4Confident88.1Confident0 Ų052.2 Ų52.20%026%0.257CS..THydrogen-bonded Turntrans75.88.4176.600000115.2W321 F400 F404W321-G406 WeakPolarHBondContact CB-O 3.05Å; W321-G406 PolarHBondContact N-O 3Å; F400-G406 VanDerWaalsContact CE1-C 3.48Å; F400-G406 WeakPolarHBondContact CE1-O 3.34Å; F404-G406 VanDerWaalsContact C-N 3.28Å; F404-G406 PolarHBondContact O-N 3.34Å
407I91.4Very high87.3Confident3 Ų352.1 Ų52.12%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-133.7135.7171.6-171.5167.8000110.1G302 V303 T306 L324 M372 L376 G405G302-I407 PolarHBondContact N-O 2.98Å; V303-I407 HydrophobicContact CG2-CG2 3.9Å; T306-I407 HydrophobicContact CG2-CD1 4.28Å; T306-I407 HydrophobicContact CG2-CG1 4.08Å; L324-I407 HydrophobicContact CD1-CB 4.27Å; L324-I407 HydrophobicContact CD2-CB 4.47Å; L324-I407 HydrophobicContact CD2-CD1 4.33Å; M372-I407 HydrophobicContact SD-CD1 3.81Å; L376-I407 HydrophobicContact CD1-CD1 4.3Å; G405-I407 VanDerWaalsContact C-N 3.27Å; G405-I407 PolarHBondContact O-N 3.24Å
408G92.1Very high85.9Confident0 Ų055.8 Ų55.80%029%0.287CS..EExtended strand (participates in β ladder)trans-174.1-175.6177.100000111.1V300 I319V300-G408 CarbonylContact O-C 3.55Å; V300-G408 WeakPolarHBondContact O-CA 3.34Å; I319-G408 PolarHBondContact N-O 3.23Å; I319-G408 PolarHBondContact O-N 3.05Å
409G92.8Very high83.8Confident0 Ų061.1 Ų61.10%031%0.309CS..EExtended strand (participates in β ladder)trans-165.2159.6-17800000113.3Y299 V300 I317Y299-G409 WeakPolarHBondContact CA-O 3.49Å; V300-G409 PolarHBondContact N-O 2.97Å; V300-G409 PolarHBondContact O-N 3.42Å; I317-G409 CarbonylContact O-C 3.51Å; I317-G409 WeakPolarHBondContact O-CA 3.33Å
410I93.1Very high81.4Confident3 Ų360.2 Ų60.22%0.01530%0.304CS..EExtended strand (participates in β ladder)trans-98.6124.2171.4-59.4174.8000107.1L284 K287 Y288 E316 I317 I319L284-I410 HydrophobicContact CD1-CD1 4.43Å; K287-I410 HydrophobicContact CD-CD1 4.01Å; K287-I410 HydrophobicContact CG-CD1 4.14Å; Y288-I410 HydrophobicContact CD2-CG1 4.07Å; E316-I410 WeakPolarHBondContact CB-O 3.28Å; E316-I410 PolarHBondContact N-O 3.4Å; I317-I410 HydrophobicContact CB-CB 4.43Å; I317-I410 HydrophobicContact CD1-CD1 4.46Å; I317-I410 PolarHBondContact N-O 2.96Å; I317-I410 PolarHBondContact O-N 3.28Å; I319-I410 HydrophobicContact CD1-CG1 4.48Å
411L93Very high79.1Confident2 Ų266 Ų661%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-88.3148.9179.9-59.5175.8000111.3K298 V300 A314 V315 Y413 L415 F417K298-L411 HydrophobicContact CB-CB 4.46Å; K298-L411 PolarHBondContact O-N 3.43Å; V300-L411 HydrophobicContact CG1-CD1 3.73Å; V300-L411 HydrophobicContact CG1-CD2 3.73Å; V300-L411 HydrophobicContact CG1-CG 3.85Å; V300-L411 HydrophobicContact CG2-CD2 4.21Å; A314-L411 HydrophobicContact CB-CD2 4.08Å; A314-L411 WeakPolarHBondContact O-CA 3.47Å; V315-L411 HydrophobicContact CB-CD2 4.5Å; V315-L411 HydrophobicContact CG2-CD2 3.77Å; L411-Y413 VanDerWaalsContact CB-O 3.28Å; L411-Y413 WeakPolarHBondContact CB-O 3.47Å; L411-L415 HydrophobicContact CD1-CB 3.95Å; L411-L415 HydrophobicContact CD1-CD1 3.97Å; L411-L415 HydrophobicContact CD1-CG 4.39Å; L411-L415 HydrophobicContact CD2-CD1 4.21Å; L411-F417 HydrophobicContact CD1-CE2 4Å; L411-F417 HydrophobicContact CD1-CZ 4.26Å
412R90.2Very high76.4Confident129 Ų12970 Ų7049%0.48736%0.355SS..SBendtrans-68.8-36.2173.7-64.8176.4-177.9-178.10.6112A314 E316 G384A314-R412 WeakPolarHBondContact O-CG 3.08Å; A314-R412 PolarHBondContact O-N 3.22Å; E316-R412 HydrophobicContact CB-CG 3.68Å; E316-R412 HydrophobicContact CG-CG 4.25Å; G384-R412 PolarHBondContact O-NH2 2.9Å
413Y88.2Confident73.9Confident106 Ų10665 Ų6542%0.41634%0.342SS..SBendtrans-140.6161.3-178.156.9-91000109.9A314 L411 L415A314-Y413 HydrophobicContact CB-CE1 3.84Å; A314-Y413 HydrophobicContact CB-CE2 4.15Å; A314-Y413 WeakPolarHBondContact CB-OH 3.39Å; L411-Y413 VanDerWaalsContact CB-O 3.28Å; L411-Y413 WeakPolarHBondContact CB-O 3.47Å; Y413-L415 HydrophobicContact CD2-CG 4.21Å; Y413-L415 HydrophobicContact CE2-CD1 4.18Å; Y413-L415 HydrophobicContact CE2-CD2 3.94Å; Y413-L415 HydrophobicContact CE2-CG 3.79Å
414R87Confident71.6Confident146 Ų14668.8 Ų68.855%0.55135%0.348SS*.  trans-68132.2180175.9173.4172.7159.71.6110.5G297 D416G297-R414 WeakPolarHBondContact O-CA 3.43Å; R414-D416 IonicContact CZ-OD1 3.18Å; R414-D416 IonicContact NE-OD1 3.83Å; R414-D416 PolarHBondContact NE-OD1 3.35Å; R414-D416 IonicContact NH2-OD1 3.95Å; R414-D416 PolarHBondContact NH2-OD1 3.46Å
415L80.5Confident69.1Low34 Ų3468.7 Ų68.718%0.17836%0.361CS..  trans-123.5133.4171.7-83.6160.7000108.6M312 A314 L411 Y413 F417M312-L415 HydrophobicContact SD-CD2 3.96Å; A314-L415 HydrophobicContact CB-CD1 3.22Å; A314-L415 HydrophobicContact CB-CG 4.38Å; L411-L415 HydrophobicContact CD1-CB 3.95Å; L411-L415 HydrophobicContact CD1-CD1 3.97Å; L411-L415 HydrophobicContact CD1-CG 4.39Å; L411-L415 HydrophobicContact CD2-CD1 4.21Å; Y413-L415 HydrophobicContact CD2-CG 4.21Å; Y413-L415 HydrophobicContact CE2-CD1 4.18Å; Y413-L415 HydrophobicContact CE2-CD2 3.94Å; Y413-L415 HydrophobicContact CE2-CG 3.79Å; L415-F417 HydrophobicContact CB-CD2 4.37Å; L415-F417 HydrophobicContact CB-CE2 3.68Å; L415-F417 HydrophobicContact CB-CZ 3.83Å; L415-F417 HydrophobicContact CD1-CZ 3.96Å
416D76.6Confident67Low98 Ų9871.3 Ų71.352%0.52436%0.362SS..  trans-97.998.2173.4-70-28.1000108.4R414 A418R414-D416 IonicContact CZ-OD1 3.18Å; R414-D416 IonicContact NE-OD1 3.83Å; R414-D416 PolarHBondContact NE-OD1 3.35Å; R414-D416 IonicContact NH2-OD1 3.95Å; R414-D416 PolarHBondContact NH2-OD1 3.46Å; D416-A418 PolarHBondContact O-N 2.96Å
417F69.8Low64.6Low41 Ų4175.7 Ų75.718%0.1840%0.398CS..G310 helixtrans-69.2-17.5179.5-66.4-84.3000113.2V300 D305 K308 L411 L415 M419 H420V300-F417 HydrophobicContact CG1-CD2 4.33Å; V300-F417 HydrophobicContact CG1-CE1 4.22Å; V300-F417 HydrophobicContact CG1-CE2 3.29Å; V300-F417 HydrophobicContact CG1-CZ 3.22Å; D305-F417 HydrophobicContact CB-CD1 3.93Å; D305-F417 HydrophobicContact CB-CE1 4.16Å; D305-F417 HydrophobicContact CB-CG 4.26Å; D305-F417 WeakPolarHBondContact O-CE1 3.41Å; K308-F417 HydrophobicContact CB-CE1 4.39Å; L411-F417 HydrophobicContact CD1-CE2 4Å; L411-F417 HydrophobicContact CD1-CZ 4.26Å; L415-F417 HydrophobicContact CB-CD2 4.37Å; L415-F417 HydrophobicContact CB-CE2 3.68Å; L415-F417 HydrophobicContact CB-CZ 3.83Å; L415-F417 HydrophobicContact CD1-CZ 3.96Å; F417-M419 PolarHBondContact O-N 2.91Å; F417-M419 VanDerWaalsContact O-N 3.14Å; F417-H420 PolarHBondContact O-N 2.96Å
418A58.2Low62.4Low76 Ų7683 Ų8363%0.62844%0.438SS*.G310 helixtrans-66.4-12.8-177.600000114.8D416D416-A418 PolarHBondContact O-N 2.96Å
419M43.4Very low59.8Low138 Ų13890.9 Ų90.968%0.6847%0.472SS*.G310 helixtrans-80.7-23.8179.5-74.7-165172.900113.8F417 E423F417-M419 PolarHBondContact O-N 2.91Å; F417-M419 VanDerWaalsContact O-N 3.14Å; M419-E423 PolarHBondContact O-N 3.46Å
420H41.5Very low57.6Low80 Ų8097.4 Ų97.437%0.3751%0.507SS..Hα-helixtrans-82.5-32.7-173.1-105.4-48000114.4F417 L422 E423 D424F417-H420 PolarHBondContact O-N 2.96Å; H420-L422 PolarHBondContact O-N 3.1Å; H420-E423 IonicContact CE1-OE2 3.77Å; H420-E423 PolarHBondContact CE1-OE2 3.46Å; H420-E423 IonicContact ND1-OE2 2.75Å; H420-E423 PolarHBondContact ND1-OE2 3.22Å; H420-E423 PolarHBondContact O-N 3.33Å; H420-D424 PolarHBondContact O-N 2.69Å
421D41.4Very low56Low121 Ų121104.9 Ų104.965%0.64755%0.546SS*.Hα-helixtrans-69-16176.2-69.1-9.5000112.4
422L34.3Very low54.3Low111 Ų111111.7 Ų111.758%0.58158%0.583SS**Hα-helixtrans-88-33.6174.3-77.5160.2000112.3H420 G425 I426H420-L422 PolarHBondContact O-N 3.1Å; L422-G425 PolarHBondContact O-N 3.09Å; L422-I426 HydrophobicContact CB-CD1 4.11Å; L422-I426 WeakPolarHBondContact O-CB 3.2Å; L422-I426 WeakPolarHBondContact O-CD1 3.39Å; L422-I426 WeakPolarHBondContact O-CG1 3.36Å; L422-I426 PolarHBondContact O-N 3.31Å
423E35.2Very low52.3Low119 Ų119113 Ų11356%0.55660%0.599SS**Hα-helixtrans-67.6-37.6178.3-81.2-176.4161.800112.5M419 H420 G425 I426 A427M419-E423 PolarHBondContact O-N 3.46Å; H420-E423 IonicContact CE1-OE2 3.77Å; H420-E423 PolarHBondContact CE1-OE2 3.46Å; H420-E423 IonicContact ND1-OE2 2.75Å; H420-E423 PolarHBondContact ND1-OE2 3.22Å; H420-E423 PolarHBondContact O-N 3.33Å; E423-G425 PolarHBondContact O-N 3.41Å; E423-I426 PolarHBondContact O-N 3.02Å; E423-A427 PolarHBondContact O-N 3.32Å
424D38.3Very low50.4Low138 Ų138122 Ų12274%0.73864%0.635SS**Hα-helixtrans-70.6-17.1174.9-72.2-19.9000112.8H420H420-D424 PolarHBondContact O-N 2.69Å
425G32.8Very low48.6Very low48 Ų48120.9 Ų120.950%0.49564%0.639SS.*Hα-helixtrans-99-10.917700000115.3L422 E423L422-G425 PolarHBondContact O-N 3.09Å; E423-G425 PolarHBondContact O-N 3.41Å
426I38.9Very low46.9Very low104 Ų104125.4 Ų125.453%0.53366%0.663SS.*Hα-helixtrans-101.6-16.5-177.1-67164000111.8L422 E423 D428 F429L422-I426 HydrophobicContact CB-CD1 4.11Å; L422-I426 WeakPolarHBondContact O-CB 3.2Å; L422-I426 WeakPolarHBondContact O-CD1 3.39Å; L422-I426 WeakPolarHBondContact O-CG1 3.36Å; L422-I426 PolarHBondContact O-N 3.31Å; E423-I426 PolarHBondContact O-N 3.02Å; I426-D428 PolarHBondContact O-N 2.74Å; I426-D428 VanDerWaalsContact O-N 3.07Å; I426-F429 PolarHBondContact O-N 3.31Å
427A38.9Very low45.3Very low92 Ų92126.9 Ų126.976%0.7667%0.671SS**THydrogen-bonded Turntrans-66.2-6.9178.700000114.9E423E423-A427 PolarHBondContact O-N 3.32Å
428D43.9Very low43.8Very low157 Ų157132 Ų13284%0.8470%0.7SS**THydrogen-bonded Turntrans-107.29.6-179.2-117.46.3000114I426 D430I426-D428 PolarHBondContact O-N 2.74Å; I426-D428 VanDerWaalsContact O-N 3.07Å; D428-D430 PolarHBondContact O-N 3.4Å
429F37.1Very low42.9Very low165 Ų165135.5 Ų135.572%0.72470%0.704SS**  trans-90.190.8169-82.3-87000110.3I426 L431I426-F429 PolarHBondContact O-N 3.31Å; F429-L431 PolarHBondContact O-N 3.25Å
430D47.2Very low42.9Very low137 Ų137135.3 Ų135.373%0.73371%0.706SS**  trans-60.2105.5168.9-142-8000108.8D428 D432D428-D430 PolarHBondContact O-N 3.4Å; D430-D432 PolarHBondContact O-N 2.83Å
431L59.2Low43Very low160 Ų160139.3 Ų139.384%0.83873%0.73SS**THydrogen-bonded Turntrans-80.710.1-177.9-90.8159.9000112.8F429 D433F429-L431 PolarHBondContact O-N 3.25Å; L431-D433 VanDerWaalsContact C-N 3.32Å; L431-D433 PolarHBondContact O-N 3.23Å
432D57.9Low43.1Very low145 Ų145140.7 Ų140.778%0.77574%0.736SS**THydrogen-bonded Turntrans-86.45-176.7-78.2-4.8000114.1D430D430-D432 PolarHBondContact O-N 2.83Å
433D48.5Very low43.9Very low156 Ų156143.2 Ų143.283%0.83475%0.749SS**  trans-110.728.4-174.6-112.70.4000115.3L431L431-D433 VanDerWaalsContact C-N 3.32Å; L431-D433 PolarHBondContact O-N 3.23Å
434Y48.5Very low44.6Very low297 Ų297145.4 Ų145.4100%1.16577%0.767SS**  trans-133.20172.7-98.9-75.9000115.9

Retrieved 434 of 434 residues in 1391.2 ms (Link to these results)

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