G4VIB2_SCHMA Loading...

Replication factor C subunit 3

Subunit of the replication factor C (RFC) complex which acts during elongation of primed DNA templates by DNA polymerases delta and epsilon, and is necessary for ATP-dependent loading of proliferating cell nuclear antigen (PCNA) onto primed DNA.

AlphaFold DB , UniProt , Accession G4VIB2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 357 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
1M59.7Low86.2Confident235 Ų23571.5 Ų71.5100%1.15838%0.378SS*.  0128.30-72.4176.2-16600107.5
2S83.7Confident86.6Confident64 Ų6467.7 Ų67.745%0.44836%0.361SS..  trans-87.1139.2171.854.10000109.5K7S2-K7 WeakPolarHBondContact OG-CB 3.49Å
3L89.4Confident86.8Confident78 Ų7862.7 Ų62.741%0.40834%0.335SS..  trans-55.4154170.8-65.3171.7000110.3V5 D6 K7 L228 E231L3-V5 PolarHBondContact O-N 2.87Å; L3-D6 PolarHBondContact O-N 3.19Å; L3-D6 VanDerWaalsContact O-N 3.11Å; L3-K7 WeakPolarHBondContact O-CB 3.39Å; L3-K7 PolarHBondContact O-N 3.33Å; L3-L228 HydrophobicContact CD1-CD2 4.26Å; L3-E231 WeakPolarHBondContact CD2-OE1 3.27Å
4W89Confident86.9Confident9 Ų963.4 Ų63.43%0.03436%0.364CS..Hα-helixtrans-58.9-34.7179.2-766.7000112.6D6 Y8 E203 A230 E231 K234W4-D6 VanDerWaalsContact C-N 3.35Å; W4-D6 PolarHBondContact O-N 3.16Å; W4-Y8 HydrophobicContact CB-CD2 4.16Å; W4-Y8 HydrophobicContact CG-CD2 4.37Å; W4-Y8 HydrophobicContact CG-CE2 4.29Å; W4-Y8 WeakPolarHBondContact O-CB 3.22Å; W4-Y8 WeakPolarHBondContact O-CD2 3.18Å; W4-Y8 PolarHBondContact O-N 3.29Å; W4-E203 HydrophobicContact CD2-CG 4.47Å; W4-E203 HydrophobicContact CH2-CG 4.44Å; W4-E203 HydrophobicContact CZ2-CB 3.97Å; W4-E203 HydrophobicContact CZ2-CG 3.56Å; W4-E203 VanDerWaalsContact NE1-CD 3.29Å; W4-E203 PolarHBondContact NE1-OE2 2.93Å; W4-A230 HydrophobicContact CE3-CB 4.34Å; W4-A230 HydrophobicContact CZ3-CB 3.98Å; W4-E231 HydrophobicContact CD2-CB 4.27Å; W4-E231 HydrophobicContact CD2-CG 4.49Å; W4-E231 HydrophobicContact CE3-CB 4.31Å; W4-E231 HydrophobicContact CG-CB 4.49Å; W4-E231 HydrophobicContact CG-CG 4.49Å; W4-E231 PolarHBondContact N-OE2 3.47Å; W4-K234 HydrophobicContact CH2-CB 4.29Å; W4-K234 HydrophobicContact CH2-CD 3.76Å; W4-K234 HydrophobicContact CZ2-CD 3.36Å
5V88.8Confident87Confident13 Ų1367.9 Ų67.98%0.07938%0.378CS..Hα-helixtrans-53.1-52.6174.7177.90000110.6L3 T9 R224 L227 L228L3-V5 PolarHBondContact O-N 2.87Å; V5-T9 PolarHBondContact O-N 3.39Å; V5-T9 PolarHBondContact O-OG1 2.69Å; V5-R224 HydrophobicContact CG1-CG 3.89Å; V5-R224 HydrophobicContact CG2-CG 4.21Å; V5-L227 HydrophobicContact CG2-CB 3.76Å; V5-L227 HydrophobicContact CG2-CD1 4.44Å; V5-L228 HydrophobicContact CG2-CD2 3.73Å; V5-L228 HydrophobicContact CG2-CG 3.77Å
6D87.9Confident87.2Confident102 Ų10264.4 Ų64.455%0.54536%0.358SS..Hα-helixtrans-77.8-40.1-175.3-58.8-34000111.3L3 W4 Y8 T9L3-D6 PolarHBondContact O-N 3.19Å; L3-D6 VanDerWaalsContact O-N 3.11Å; W4-D6 VanDerWaalsContact C-N 3.35Å; W4-D6 PolarHBondContact O-N 3.16Å; D6-Y8 VanDerWaalsContact C-N 3.35Å; D6-Y8 PolarHBondContact O-N 2.87Å; D6-T9 PolarHBondContact O-N 2.77Å
7K89.6Confident87.1Confident110 Ų11063.6 Ų63.648%0.47835%0.353SS..Hα-helixtrans-61-41.9-178.9-169.3178177.1-176.40112.7S2 L3 E203S2-K7 WeakPolarHBondContact OG-CB 3.49Å; L3-K7 WeakPolarHBondContact O-CB 3.39Å; L3-K7 PolarHBondContact O-N 3.33Å; K7-E203 IonicContact NZ-OE1 2.57Å; K7-E203 PolarHBondContact NZ-OE1 3.35Å
8Y89.3Confident87.2Confident35 Ų3560.8 Ų60.814%0.13734%0.336CS..THydrogen-bonded Turntrans-100.65.9-175.2-66.3-64000113.7W4 D6 P10 T199 R202 E203W4-Y8 HydrophobicContact CB-CD2 4.16Å; W4-Y8 HydrophobicContact CG-CD2 4.37Å; W4-Y8 HydrophobicContact CG-CE2 4.29Å; W4-Y8 WeakPolarHBondContact O-CB 3.22Å; W4-Y8 WeakPolarHBondContact O-CD2 3.18Å; W4-Y8 PolarHBondContact O-N 3.29Å; D6-Y8 VanDerWaalsContact C-N 3.35Å; D6-Y8 PolarHBondContact O-N 2.87Å; Y8-P10 VanDerWaalsContact O-CD 3.24Å; Y8-P10 WeakPolarHBondContact O-CD 3.48Å; Y8-T199 HydrophobicContact CD2-CG2 4.03Å; Y8-T199 HydrophobicContact CG-CG2 3.99Å; Y8-R202 HydrophobicContact CE1-CB 3.75Å; Y8-R202 HydrophobicContact CE1-CG 4.3Å; Y8-R202 WeakPolarHBondContact OH-CB 3.48Å; Y8-E203 HydrophobicContact CE2-CG 3.9Å; Y8-E203 WeakPolarHBondContact CE2-OE1 3.44Å; Y8-E203 VanDerWaalsContact CZ-OE1 3.3Å; Y8-E203 WeakPolarHBondContact OH-CG 3.46Å; Y8-E203 PolarHBondContact OH-OE1 2.99Å
9T90.9Very high87.3Confident57 Ų5760.6 Ų60.635%0.3533%0.332SS..  trans-57.4122.3174.8-74.50000109.9V5 D6 T11 T50V5-T9 PolarHBondContact O-N 3.39Å; V5-T9 PolarHBondContact O-OG1 2.69Å; D6-T9 PolarHBondContact O-N 2.77Å; T9-T11 PolarHBondContact O-N 2.93Å; T9-T50 HydrophobicContact CG2-CG2 3.74Å
10P91.2Very high87.4Confident25 Ų2564.1 Ų64.116%0.16234%0.344CS..  trans-55.9131.2176.2-29.235.3000112.2Y8 K15 L16 T50 C54Y8-P10 VanDerWaalsContact O-CD 3.24Å; Y8-P10 WeakPolarHBondContact O-CD 3.48Å; P10-K15 HydrophobicContact CB-CB 4.27Å; P10-L16 HydrophobicContact CB-CD2 3.94Å; P10-L16 HydrophobicContact CG-CD2 4.19Å; P10-T50 HydrophobicContact CB-CG2 4.26Å; P10-T50 HydrophobicContact CG-CG2 4.4Å; P10-C54 PolarHBondContact O-SG 3.09Å; P10-C54 VanDerWaalsContact O-SG 3.38Å
11T88.4Confident87.6Confident58 Ų5869.5 Ų69.536%0.35637%0.365SS..  trans-95.1-14.3179.143.40000113.5T9 R57T9-T11 PolarHBondContact O-N 2.93Å; T11-R57 WeakPolarHBondContact O-CD 3.44Å
12S91.4Very high89.1Confident26 Ų2660.4 Ų60.418%0.18232%0.319CS..SBendtrans-138.9160.2179.466.60000111.6G14 K15 C54S12-G14 PolarHBondContact O-N 3.45Å; S12-K15 PolarHBondContact O-N 3.05Å; S12-K15 VanDerWaalsContact O-N 3.09Å; S12-K15 WeakPolarHBondContact OG-CG 3.22Å; S12-C54 VanDerWaalsContact C-SG 3.58Å
13L88.7Confident89.5Confident3 Ų357.7 Ų57.72%0.01630%0.3CS..G310 helixtrans-62.5-31.7179.8-72176.8000111.8K15 L16 A23 L26 K27 C54 I55 E58L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 3.45Å; L13-L16 HydrophobicContact CD2-CD1 3.79Å; L13-L16 PolarHBondContact O-N 3.47Å; L13-A23 WeakPolarHBondContact O-CB 3.44Å; L13-L26 HydrophobicContact CD1-CB 3.92Å; L13-L26 HydrophobicContact CD2-CB 4.43Å; L13-L26 HydrophobicContact CD2-CD1 4.36Å; L13-K27 HydrophobicContact CD1-CB 4.2Å; L13-C54 HydrophobicContact CD2-CB 3.63Å; L13-C54 HydrophobicContact CG-CB 3.89Å; L13-I55 HydrophobicContact CD1-CG1 4.38Å; L13-I55 HydrophobicContact CD2-CG1 4.27Å; L13-E58 HydrophobicContact CD1-CG 4.11Å; L13-E58 HydrophobicContact CG-CG 4.12Å; L13-E58 PolarHBondContact N-OE1 3.03Å
14G88.3Confident89.6Confident72 Ų7261.1 Ų61.174%0.74231%0.312SS*.G310 helixtrans-70.1-22.2176.700000114.5S12S12-G14 PolarHBondContact O-N 3.45Å
15K88.9Confident89.8Confident132 Ų13265.6 Ų65.657%0.57434%0.337SS*.G310 helixtrans-91.60.7179.9-71.5178.7-177.81790113.6P10 S12 L13 D17P10-K15 HydrophobicContact CB-CB 4.27Å; S12-K15 PolarHBondContact O-N 3.05Å; S12-K15 VanDerWaalsContact O-N 3.09Å; S12-K15 WeakPolarHBondContact OG-CG 3.22Å; L13-K15 VanDerWaalsContact C-N 3.3Å; L13-K15 PolarHBondContact O-N 3.45Å; K15-D17 PolarHBondContact O-N 2.8Å
16L90.2Very high90Very high12 Ų1265.4 Ų65.46%0.06334%0.335CS..  trans-65.8131.1177.7-69.8171.4000110.8P10 L13 A23 T50 R51P10-L16 HydrophobicContact CB-CD2 3.94Å; P10-L16 HydrophobicContact CG-CD2 4.19Å; L13-L16 HydrophobicContact CD2-CD1 3.79Å; L13-L16 PolarHBondContact O-N 3.47Å; L16-A23 HydrophobicContact CD1-CB 3.8Å; L16-T50 HydrophobicContact CD2-CG2 4.38Å; L16-R51 HydrophobicContact CD1-CG 4.02Å; L16-R51 HydrophobicContact CD2-CG 4.25Å
17D86.2Confident90.2Very high50 Ų5065 Ų6527%0.26733%0.329SS..SBendtrans-72.4-32.6-173.1-52-78.4000113K15 K20 I195K15-D17 PolarHBondContact O-N 2.8Å; D17-K20 VanDerWaalsContact O-CE 3.31Å; D17-K20 WeakPolarHBondContact O-CE 3.37Å; D17-I195 HydrophobicContact CB-CD1 3.7Å; D17-I195 HydrophobicContact CB-CG1 3.59Å
18Y88.1Confident90.2Very high13 Ų1367 Ų675%0.05134%0.337CS..SBendtrans-135.6166.7-175.565.1-78.5000113.5K20 A46 R51 P187 I195 L223Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 2.87Å; Y18-A46 PolarHBondContact OH-O 2.87Å; Y18-R51 PolarHBondContact O-NH2 3.22Å; Y18-P187 HydrophobicContact CD1-CB 4.33Å; Y18-P187 HydrophobicContact CD2-CB 3.95Å; Y18-P187 HydrophobicContact CE1-CB 4.38Å; Y18-P187 HydrophobicContact CE1-CG 4.49Å; Y18-P187 HydrophobicContact CE2-CB 4.02Å; Y18-P187 HydrophobicContact CE2-CG 4.33Å; Y18-P187 HydrophobicContact CG-CB 4.14Å; Y18-I195 HydrophobicContact CD1-CD1 3.89Å; Y18-I195 HydrophobicContact CE1-CD1 4.42Å; Y18-L223 HydrophobicContact CE1-CD2 3.8Å
19H89.6Confident90.3Very high57 Ų5767 Ų6726%0.26434%0.34SS..  trans50.946-168.4-54.3-50.3000113.4K21 Q22 A23 S185H19-K21 PolarHBondContact O-N 3.5Å; H19-Q22 HydrophobicContact CB-CB 4.12Å; H19-Q22 WeakPolarHBondContact O-CB 3.31Å; H19-Q22 PolarHBondContact O-N 3.08Å; H19-A23 PolarHBondContact O-N 3.02Å; H19-S185 PolarHBondContact NE2-O 3.43Å
20K89.4Confident90.2Very high130 Ų13064.6 Ų64.657%0.56533%0.325SS*.Hα-helixtrans-57-32.5-177.4-63.6178.4-177.7171.60113.4D17 Y18 A23 K24D17-K20 VanDerWaalsContact O-CE 3.31Å; D17-K20 WeakPolarHBondContact O-CE 3.37Å; Y18-K20 VanDerWaalsContact C-N 3.33Å; Y18-K20 PolarHBondContact O-N 2.87Å; K20-A23 PolarHBondContact O-N 2.85Å; K20-K24 WeakPolarHBondContact O-CG 3.5Å; K20-K24 PolarHBondContact O-N 2.93Å
21K91.4Very high90Very high179 Ų17968.5 Ų68.578%0.77834%0.344SS*.Hα-helixtrans-63.4-45.7173.9-68.3-177.4-179.1177.70111.6H19 A23 K24 N25H19-K21 PolarHBondContact O-N 3.5Å; K21-A23 VanDerWaalsContact C-N 3.34Å; K21-K24 PolarHBondContact O-N 2.89Å; K21-N25 PolarHBondContact O-N 3.18Å; K21-N25 VanDerWaalsContact O-N 3.07Å
22Q91.5Very high89.9Confident44 Ų4467.6 Ų67.621%0.20634%0.34CS..Hα-helixtrans-63.6-42176-176.8179.375.500110.8H19 K24 N25 L26 I182 R183H19-Q22 HydrophobicContact CB-CB 4.12Å; H19-Q22 WeakPolarHBondContact O-CB 3.31Å; H19-Q22 PolarHBondContact O-N 3.08Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 2.88Å; Q22-N25 PolarHBondContact O-N 3.47Å; Q22-N25 VanDerWaalsContact O-N 3.15Å; Q22-L26 HydrophobicContact CG-CD1 4.11Å; Q22-L26 HydrophobicContact CG-CG 4.31Å; Q22-L26 VanDerWaalsContact O-CG 3.32Å; Q22-L26 WeakPolarHBondContact O-CG 3.43Å; Q22-L26 PolarHBondContact O-N 3.32Å; Q22-I182 HydrophobicContact CG-CG2 4.49Å; Q22-R183 PolarHBondContact NE2-O 3.22Å
23A91.3Very high89.2Confident6 Ų671.8 Ų71.85%0.0537%0.369CS..Hα-helixtrans-58.7-42.5176.500000112.4L13 L16 H19 K20 K21 L26 K27L13-A23 WeakPolarHBondContact O-CB 3.44Å; L16-A23 HydrophobicContact CD1-CB 3.8Å; H19-A23 PolarHBondContact O-N 3.02Å; K20-A23 PolarHBondContact O-N 2.85Å; K21-A23 VanDerWaalsContact C-N 3.34Å; A23-L26 PolarHBondContact O-N 3.09Å; A23-K27 WeakPolarHBondContact O-CB 3.43Å; A23-K27 PolarHBondContact O-N 3.06Å
24K92.5Very high89Confident150 Ų15076.4 Ų76.465%0.65239%0.394SS*.Hα-helixtrans-62.2-41.3174-73.3178.1-179.7-173.60112.5K20 K21 Q22 K27 K28K20-K24 WeakPolarHBondContact O-CG 3.5Å; K20-K24 PolarHBondContact O-N 2.93Å; K21-K24 PolarHBondContact O-N 2.89Å; Q22-K24 VanDerWaalsContact C-N 3.33Å; Q22-K24 PolarHBondContact O-N 2.88Å; K24-K27 PolarHBondContact O-N 3.35Å; K24-K28 WeakPolarHBondContact O-CG 3.3Å; K24-K28 PolarHBondContact O-N 3.09Å
25N92.7Very high89.1Confident104 Ų10473 Ų7356%0.55636%0.359SS*.Hα-helixtrans-67.5-40.3177.2-68.5-9.1000111.8K21 Q22 K27 K28 L29K21-N25 PolarHBondContact O-N 3.18Å; K21-N25 VanDerWaalsContact O-N 3.07Å; Q22-N25 PolarHBondContact O-N 3.47Å; Q22-N25 VanDerWaalsContact O-N 3.15Å; N25-K27 VanDerWaalsContact C-N 3.31Å; N25-K27 PolarHBondContact O-N 3.41Å; N25-K28 PolarHBondContact O-N 3.49Å; N25-L29 PolarHBondContact O-N 2.84Å
26L92.5Very high89.2Confident9 Ų968.6 Ų68.65%0.04734%0.344CS..Hα-helixtrans-62.8-39.8174.1-69.2172.6000111.3L13 Q22 A23 L29 V30 I55 I182L13-L26 HydrophobicContact CD1-CB 3.92Å; L13-L26 HydrophobicContact CD2-CB 4.43Å; L13-L26 HydrophobicContact CD2-CD1 4.36Å; Q22-L26 HydrophobicContact CG-CD1 4.11Å; Q22-L26 HydrophobicContact CG-CG 4.31Å; Q22-L26 VanDerWaalsContact O-CG 3.32Å; Q22-L26 WeakPolarHBondContact O-CG 3.43Å; Q22-L26 PolarHBondContact O-N 3.32Å; A23-L26 PolarHBondContact O-N 3.09Å; L26-L29 WeakPolarHBondContact O-CB 3.48Å; L26-L29 PolarHBondContact O-N 3Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3Å; L26-I55 HydrophobicContact CD1-CD1 4.25Å; L26-I55 HydrophobicContact CD2-CD1 4.16Å; L26-I182 HydrophobicContact CD2-CD1 3.46Å; L26-I182 VanDerWaalsContact CD2-CD1 3.46Å; L26-I182 HydrophobicContact CD2-CG1 4.16Å; L26-I182 HydrophobicContact CD2-CG2 4.44Å
27K91.4Very high89.4Confident94 Ų9468.4 Ų68.441%0.40934%0.343SS..Hα-helixtrans-60.3-49.2174.6-171.8173-178.1173.70111.5L13 A23 K24 N25 L29 V30 D31L13-K27 HydrophobicContact CD1-CB 4.2Å; A23-K27 WeakPolarHBondContact O-CB 3.43Å; A23-K27 PolarHBondContact O-N 3.06Å; K24-K27 PolarHBondContact O-N 3.35Å; N25-K27 VanDerWaalsContact C-N 3.31Å; N25-K27 PolarHBondContact O-N 3.41Å; K27-L29 PolarHBondContact O-N 2.89Å; K27-V30 WeakPolarHBondContact O-CB 3.48Å; K27-V30 PolarHBondContact O-N 3.43Å; K27-V30 VanDerWaalsContact O-N 3.1Å; K27-D31 VanDerWaalsContact O-CG 3.23Å; K27-D31 PolarHBondContact O-N 3.21Å
28K91.1Very high89.9Confident151 Ų15166 Ų6666%0.65733%0.33SS*.Hα-helixtrans-57.3-35.6174.1-69.4179178.2-173.10112.9K24 N25 S32K24-K28 WeakPolarHBondContact O-CG 3.3Å; K24-K28 PolarHBondContact O-N 3.09Å; N25-K28 PolarHBondContact O-N 3.49Å; K28-S32 PolarHBondContact O-N 3.22Å; K28-S32 VanDerWaalsContact O-N 3.15Å
29L91Very high90.2Very high36 Ų3665.5 Ų65.519%0.18833%0.328CS..Hα-helixtrans-69-40.4177.3-17467.3000112N25 L26 K27 S32 F35 P36 L38 L180N25-L29 PolarHBondContact O-N 2.84Å; L26-L29 WeakPolarHBondContact O-CB 3.48Å; L26-L29 PolarHBondContact O-N 3Å; K27-L29 PolarHBondContact O-N 2.89Å; L29-S32 WeakPolarHBondContact O-CB 3.48Å; L29-S32 PolarHBondContact O-N 3.18Å; L29-S32 PolarHBondContact O-OG 3.02Å; L29-F35 HydrophobicContact CG-CD2 4.49Å; L29-P36 HydrophobicContact CD1-CG 4.14Å; L29-P36 HydrophobicContact CD2-CG 4.47Å; L29-L38 HydrophobicContact CD2-CD2 3.84Å; L29-L180 HydrophobicContact CD1-CD2 4.41Å; L29-L180 HydrophobicContact CD2-CD2 3.64Å
30V89Confident90.6Very high5 Ų562.9 Ų62.93%0.0332%0.316CS..Hα-helixtrans-65.1-42.3175.21680000111.4L26 K27 S32 F35 I55 E58 L59L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 3Å; K27-V30 WeakPolarHBondContact O-CB 3.48Å; K27-V30 PolarHBondContact O-N 3.43Å; K27-V30 VanDerWaalsContact O-N 3.1Å; V30-S32 PolarHBondContact O-N 3.02Å; V30-F35 HydrophobicContact CG2-CE2 4.29Å; V30-I55 HydrophobicContact CG2-CG2 3.96Å; V30-E58 HydrophobicContact CG1-CB 3.8Å; V30-L59 HydrophobicContact CB-CD2 4.4Å; V30-L59 HydrophobicContact CG1-CD2 3.76Å; V30-L59 HydrophobicContact CG1-CG 3.92Å; V30-L59 HydrophobicContact CG2-CD2 4.43Å; V30-L59 HydrophobicContact CG2-CG 4.27Å
31D87.4Confident90.8Very high107 Ų10759.2 Ų59.257%0.57230%0.299SS*.Hα-helixtrans-67.8-23.7179-63.2-25.1000112.1K27K27-D31 VanDerWaalsContact O-CG 3.23Å; K27-D31 PolarHBondContact O-N 3.21Å
32S86Confident90.9Very high40 Ų4051 Ų5128%0.2827%0.265SS..SBendtrans-64.3152.8177.581.50000112.5K28 L29 V30 N34 K127K28-S32 PolarHBondContact O-N 3.22Å; K28-S32 VanDerWaalsContact O-N 3.15Å; L29-S32 WeakPolarHBondContact O-CB 3.48Å; L29-S32 PolarHBondContact O-N 3.18Å; L29-S32 PolarHBondContact O-OG 3.02Å; V30-S32 PolarHBondContact O-N 3.02Å; S32-N34 VanDerWaalsContact C-N 3.32Å; S32-N34 PolarHBondContact O-N 3.21Å; S32-N34 PolarHBondContact OG-O 3.04Å; S32-K127 PolarHBondContact O-NZ 3.16Å
33S76.4Confident91Very high113 Ų11351.9 Ų51.979%0.7927%0.274SS*.SBendtrans-67.2-33.1179.455.40000112.5
34N83.9Confident91Very high101 Ų10154.8 Ų54.854%0.5430%0.295SS..  trans-112.297.2-175.1-171.417.4000112S32 P36 R160S32-N34 VanDerWaalsContact C-N 3.32Å; S32-N34 PolarHBondContact O-N 3.21Å; S32-N34 PolarHBondContact OG-O 3.04Å; N34-P36 VanDerWaalsContact O-CD 3.29Å; N34-P36 WeakPolarHBondContact O-CD 3.46Å; N34-R160 PolarHBondContact OD1-NH1 2.94Å; N34-R160 PolarHBondContact OD1-NH2 3.41Å
35F90Very high90.8Very high1 Ų148.7 Ų48.70%0.00427%0.274CS..  trans-87107179.6-178.6-97.7000112L29 V30 L38 I55 L59 F129 R160 I162L29-F35 HydrophobicContact CG-CD2 4.49Å; V30-F35 HydrophobicContact CG2-CE2 4.29Å; F35-L38 HydrophobicContact CE1-CD1 4.35Å; F35-L38 HydrophobicContact CE1-CG 4.33Å; F35-L38 HydrophobicContact CE2-CD1 3.9Å; F35-L38 HydrophobicContact CE2-CG 4.42Å; F35-L38 HydrophobicContact CZ-CD1 3.43Å; F35-L38 VanDerWaalsContact CZ-CD1 3.43Å; F35-L38 HydrophobicContact CZ-CG 3.82Å; F35-I55 HydrophobicContact CE2-CG2 3.92Å; F35-I55 HydrophobicContact CZ-CG2 3.8Å; F35-L59 HydrophobicContact CD1-CD1 4.4Å; F35-L59 HydrophobicContact CD2-CD1 4.36Å; F35-L59 HydrophobicContact CD2-CD2 4.18Å; F35-L59 HydrophobicContact CE1-CD1 4.08Å; F35-L59 HydrophobicContact CE2-CD1 4.03Å; F35-L59 HydrophobicContact CG-CD2 4.38Å; F35-L59 HydrophobicContact CZ-CD1 3.87Å; F35-F129 HydrophobicContact CB-CE1 4.05Å; F35-F129 HydrophobicContact CB-CE2 4.4Å; F35-F129 HydrophobicContact CB-CZ 3.55Å; F35-F129 AromaticContact CD1-CE2 3.86Å; F35-F129 HydrophobicContact CD1-CE2 3.86Å; F35-F129 AromaticContact CD1-CZ 3.85Å; F35-F129 HydrophobicContact CD1-CZ 3.85Å; F35-F129 HydrophobicContact CG-CE2 4.42Å; F35-F129 AromaticContact CG-CZ 3.95Å; F35-F129 HydrophobicContact CG-CZ 3.95Å; F35-R160 HydrophobicContact CD1-CB 4.2Å; F35-R160 HydrophobicContact CD1-CG 4.29Å; F35-R160 HydrophobicContact CE1-CB 4.49Å; F35-R160 VanDerWaalsContact O-CD 3.27Å; F35-R160 WeakPolarHBondContact O-CD 3.33Å; F35-R160 VanDerWaalsContact O-CZ 3.26Å; F35-R160 PolarHBondContact O-NE 3.44Å; F35-R160 PolarHBondContact O-NH1 3.4Å; F35-I162 HydrophobicContact CE1-CD1 4.43Å; F35-I162 HydrophobicContact CZ-CD1 4.19Å
36P92.2Very high90.8Very high39 Ų3943.8 Ų43.825%0.25325%0.248SC..  trans-72.8169-176.532.4-36.4000112.8L29 N34 L38 L180L29-P36 HydrophobicContact CD1-CG 4.14Å; L29-P36 HydrophobicContact CD2-CG 4.47Å; N34-P36 VanDerWaalsContact O-CD 3.29Å; N34-P36 WeakPolarHBondContact O-CD 3.46Å; P36-L38 HydrophobicContact CG-CD2 4.22Å; P36-L180 HydrophobicContact CG-CB 4.25Å; P36-L180 HydrophobicContact CG-CD2 4.26Å
37H94.2Very high90.7Very high8 Ų844.1 Ų44.14%0.03725%0.254CS..  trans-61.6143.1165.4-57.9-75.2000110.1M152 I156 C159 L161 C179 L180H37-M152 HydrophobicContact CB-CE 3.68Å; H37-M152 VanDerWaalsContact CD2-CE 3.49Å; H37-M152 WeakPolarHBondContact CD2-CE 3.49Å; H37-M152 VanDerWaalsContact CG-CE 3.44Å; H37-I156 WeakPolarHBondContact NE2-CD1 3.34Å; H37-C159 PolarHBondContact CE1-O 3.24Å; H37-L161 CarbonylContact C-O 3.57Å; H37-L161 VanDerWaalsContact CA-O 3.27Å; H37-L161 WeakPolarHBondContact CA-O 3.37Å; H37-L161 WeakPolarHBondContact ND1-CB 3.38Å; H37-L161 PolarHBondContact ND1-N 3.42Å; H37-C179 HydrophobicContact CB-CB 4.46Å; H37-C179 CarbonylContact O-C 3.59Å; H37-C179 WeakPolarHBondContact O-CA 3.42Å; H37-L180 PolarHBondContact O-N 3.1Å
38L96Very high90.8Very high0 Ų040.6 Ų40.60%024%0.238CC..EExtended strand (participates in β ladder)trans-115.6141.5-178.1-57.3-173.1000111.1L29 F35 P36 I55 L161 I162 L163 L180 I182L29-L38 HydrophobicContact CD2-CD2 3.84Å; F35-L38 HydrophobicContact CE1-CD1 4.35Å; F35-L38 HydrophobicContact CE1-CG 4.33Å; F35-L38 HydrophobicContact CE2-CD1 3.9Å; F35-L38 HydrophobicContact CE2-CG 4.42Å; F35-L38 HydrophobicContact CZ-CD1 3.43Å; F35-L38 VanDerWaalsContact CZ-CD1 3.43Å; F35-L38 HydrophobicContact CZ-CG 3.82Å; P36-L38 HydrophobicContact CG-CD2 4.22Å; L38-I55 HydrophobicContact CD1-CD1 3.95Å; L38-L161 PolarHBondContact N-O 2.6Å; L38-I162 HydrophobicContact CB-CG1 4.19Å; L38-I162 HydrophobicContact CB-CG2 4.23Å; L38-I162 HydrophobicContact CD1-CD1 4.31Å; L38-I162 HydrophobicContact CD1-CG1 4.35Å; L38-I162 HydrophobicContact CG-CG1 4.39Å; L38-I162 CarbonylContact O-C 2.91Å; L38-I162 WeakPolarHBondContact O-CA 3.39Å; L38-L163 PolarHBondContact O-N 3.48Å; L38-L180 HydrophobicContact CD2-CB 3.98Å; L38-L180 HydrophobicContact CD2-CD2 4.12Å; L38-I182 HydrophobicContact CB-CD1 4.17Å; L38-I182 HydrophobicContact CD1-CD1 3.82Å; L38-I182 HydrophobicContact CD2-CD1 3.84Å; L38-I182 HydrophobicContact CG-CD1 4.16Å
39L95.9Very high90.8Very high1 Ų139 Ų391%0.00523%0.228CC..EExtended strand (participates in β ladder)trans-118.899.8168.1172.362.8000108.3Y41 L163 A165 I171 R176 C179 L180 P181 I182L39-Y41 HydrophobicContact CG-CD1 4.35Å; L39-L163 CarbonylContact C-O 3.58Å; L39-L163 WeakPolarHBondContact CA-O 3.43Å; L39-L163 HydrophobicContact CD1-CB 3.78Å; L39-A165 HydrophobicContact CD1-CB 4.36Å; L39-I171 HydrophobicContact CD2-CG2 4.42Å; L39-R176 HydrophobicContact CD2-CG 4.32Å; L39-C179 HydrophobicContact CB-CB 3.54Å; L39-L180 PolarHBondContact N-O 3.23Å; L39-P181 CarbonylContact O-C 3.53Å; L39-P181 WeakPolarHBondContact O-CA 3.01Å; L39-I182 PolarHBondContact O-N 2.9Å
40V96.2Very high90.9Very high2 Ų238.9 Ų38.91%0.01223%0.229CC..EExtended strand (participates in β ladder)trans-90.2117.6177.6-174.70000108.7K48 I52 I162 L163 S164 A165 I182 V184V40-K48 HydrophobicContact CG1-CB 4.04Å; V40-K48 HydrophobicContact CG1-CG 4.15Å; V40-I52 HydrophobicContact CB-CD1 4.22Å; V40-I52 HydrophobicContact CB-CG1 4.41Å; V40-I52 HydrophobicContact CG2-CD1 4.24Å; V40-I52 HydrophobicContact CG2-CG1 3.98Å; V40-I162 HydrophobicContact CG2-CG2 4.19Å; V40-L163 PolarHBondContact N-O 3.47Å; V40-S164 VanDerWaalsContact O-CA 3.29Å; V40-S164 WeakPolarHBondContact O-CA 3.32Å; V40-A165 PolarHBondContact O-N 3.44Å; V40-I182 WeakPolarHBondContact CA-O 3.2Å; V40-I182 HydrophobicContact CG2-CB 4.41Å; V40-I182 HydrophobicContact CG2-CD1 4.36Å; V40-V184 HydrophobicContact CG1-CG2 3.63Å
41Y95.4Very high91.1Very high54 Ų5438.8 Ų38.821%0.21223%0.228CC..EExtended strand (participates in β ladder)trans-134.6153.8-178.667.6-84.5000112.9L39 A165 T168 P181 I182 R183 V184L39-Y41 HydrophobicContact CG-CD1 4.35Å; Y41-A165 VanDerWaalsContact CA-O 3.28Å; Y41-A165 WeakPolarHBondContact CA-O 3.08Å; Y41-T168 HydrophobicContact CD1-CG2 3.65Å; Y41-T168 HydrophobicContact CD2-CG2 3.39Å; Y41-T168 HydrophobicContact CE1-CG2 3.86Å; Y41-T168 HydrophobicContact CE2-CG2 3.58Å; Y41-T168 HydrophobicContact CG-CG2 3.38Å; Y41-P181 HydrophobicContact CE1-CB 3.79Å; Y41-I182 PolarHBondContact N-O 2.61Å; Y41-R183 HydrophobicContact CD2-CG 4.49Å; Y41-R183 HydrophobicContact CE1-CB 4.15Å; Y41-R183 HydrophobicContact CE2-CB 3.82Å; Y41-R183 HydrophobicContact CE2-CG 3.85Å; Y41-V184 PolarHBondContact O-N 2.85Å
42G93.2Very high91.4Very high6 Ų633.7 Ų33.76%0.06220%0.201CC..  trans154.8174.2-176.900000112.8K48 A165 E166 V184G42-K48 WeakPolarHBondContact O-CD 3.45Å; G42-K48 WeakPolarHBondContact O-CE 3.46Å; G42-K48 PolarHBondContact O-NZ 2.79Å; G42-A165 PolarHBondContact N-O 2.76Å; G42-E166 CarbonylContact C-O 3.52Å; G42-E166 PolarHBondContact N-O 2.91Å; G42-E166 WeakPolarHBondContact O-CA 3.41Å; G42-V184 WeakPolarHBondContact CA-O 3.44Å
43P93.2Very high91.7Very high62 Ų6233.8 Ų33.840%0.40320%0.197SC..SBendtrans-62.9157.5-177.824.8-31.6000112.5A46 A186P43-A46 HydrophobicContact CG-CB 4.05Å; P43-A46 WeakPolarHBondContact O-CB 3.37Å; P43-A46 PolarHBondContact O-N 2.89Å; P43-A186 HydrophobicContact CG-CB 3.67Å
44S90.8Very high92.5Very high68 Ų6828.4 Ų28.448%0.47616%0.16SC..THydrogen-bonded Turntrans-60.2142.9175.4-166.10000111.3A46 E166 N222S44-A46 PolarHBondContact O-N 3.32Å; S44-E166 WeakPolarHBondContact CB-OE1 3.43Å; S44-N222 PolarHBondContact O-ND2 3.21Å
45G89.4Confident92.9Very high21 Ų2123.7 Ų23.722%0.21614%0.135CC..THydrogen-bonded Turntrans72.54.1-179.400000116.1G47 N222 L223G45-G47 PolarHBondContact O-N 3.18Å; G45-N222 WeakPolarHBondContact CA-OD1 3.2Å; G45-L223 PolarHBondContact O-N 3.34Å
46A90.8Very high93Very high1 Ų123.7 Ų23.71%0.00813%0.134CC..SBendtrans-79.715.6174.400000114.1Y18 P43 S44 V184Y18-A46 PolarHBondContact OH-O 2.87Å; P43-A46 HydrophobicContact CG-CB 4.05Å; P43-A46 WeakPolarHBondContact O-CB 3.37Å; P43-A46 PolarHBondContact O-N 2.89Å; S44-A46 PolarHBondContact O-N 3.32Å; A46-V184 HydrophobicContact CB-CG1 4.25Å; A46-V184 WeakPolarHBondContact O-CG1 3.43Å
47G91.2Very high92.9Very high17 Ų1725.4 Ų25.418%0.17514%0.136CC..SBendtrans76.222.6175.900000115.5G45 T50 R51G45-G47 PolarHBondContact O-N 3.18Å; G47-T50 PolarHBondContact O-N 2.84Å; G47-R51 WeakPolarHBondContact O-CG 3.49Å; G47-R51 PolarHBondContact O-N 2.62Å
48K92.9Very high92.7Very high20 Ų2028 Ų289%0.08715%0.148CC..Hα-helixtrans-56.3-55.2176.6-63.1-179.3-62.3-1710111.9V40 G42 T50 R51 I52 A165 V184V40-K48 HydrophobicContact CG1-CB 4.04Å; V40-K48 HydrophobicContact CG1-CG 4.15Å; G42-K48 WeakPolarHBondContact O-CD 3.45Å; G42-K48 WeakPolarHBondContact O-CE 3.46Å; G42-K48 PolarHBondContact O-NZ 2.79Å; K48-T50 PolarHBondContact O-N 2.81Å; K48-R51 PolarHBondContact O-N 3.41Å; K48-I52 WeakPolarHBondContact O-CG1 3.49Å; K48-I52 PolarHBondContact O-N 3.43Å; K48-A165 PolarHBondContact NZ-O 3.09Å; K48-V184 HydrophobicContact CG-CB 4.16Å
49R92.5Very high92.4Very high118 Ų11828.9 Ų28.945%0.44515%0.153SC..Hα-helixtrans-58.2-46.6178.6-178.7174.8172.290.75.2111.2R51 I52 M53 E94 H135R49-R51 VanDerWaalsContact C-N 3.33Å; R49-R51 PolarHBondContact O-N 3.45Å; R49-I52 WeakPolarHBondContact O-CB 3.45Å; R49-I52 PolarHBondContact O-N 3.16Å; R49-I52 VanDerWaalsContact O-N 3.13Å; R49-M53 WeakPolarHBondContact O-CG 3.31Å; R49-M53 PolarHBondContact O-N 3.39Å; R49-E94 IonicContact CZ-OE2 2.76Å; R49-E94 VanDerWaalsContact CZ-OE2 3.25Å; R49-E94 IonicContact NH1-OE1 3.64Å; R49-E94 IonicContact NH1-OE2 2.77Å; R49-E94 PolarHBondContact NH1-OE2 3.2Å; R49-E94 IonicContact NH2-OE1 3.78Å; R49-E94 IonicContact NH2-OE2 3.58Å; R49-E94 PolarHBondContact NH2-OE2 3.49Å; R49-H135 PolarHBondContact NH1-CD2 3.17Å; R49-H135 PolarHBondContact NH1-NE2 3.43Å
50T92.5Very high91.9Very high33 Ų3329.6 Ų29.620%0.20216%0.156CC..Hα-helixtrans-57.1-44.2176.9-50.30000112.3T9 P10 L16 G47 K48 I52 M53 C54T9-T50 HydrophobicContact CG2-CG2 3.74Å; P10-T50 HydrophobicContact CB-CG2 4.26Å; P10-T50 HydrophobicContact CG-CG2 4.4Å; L16-T50 HydrophobicContact CD2-CG2 4.38Å; G47-T50 PolarHBondContact O-N 2.84Å; K48-T50 PolarHBondContact O-N 2.81Å; T50-I52 PolarHBondContact O-N 3.03Å; T50-M53 PolarHBondContact O-N 2.92Å; T50-C54 PolarHBondContact O-N 3.46Å; T50-C54 PolarHBondContact O-SG 3.13Å
51R93.6Very high91.5Very high3 Ų331 Ų311%0.01117%0.171CC..Hα-helixtrans-64.1-40.2176.6-72.7175.9-171.3-98.1-20.4112.3L16 Y18 G47 K48 R49 C54 I55L16-R51 HydrophobicContact CD1-CG 4.02Å; L16-R51 HydrophobicContact CD2-CG 4.25Å; Y18-R51 PolarHBondContact O-NH2 3.22Å; G47-R51 WeakPolarHBondContact O-CG 3.49Å; G47-R51 PolarHBondContact O-N 2.62Å; K48-R51 PolarHBondContact O-N 3.41Å; R49-R51 VanDerWaalsContact C-N 3.33Å; R49-R51 PolarHBondContact O-N 3.45Å; R51-C54 PolarHBondContact O-N 2.77Å; R51-I55 VanDerWaalsContact O-CG1 3.28Å; R51-I55 WeakPolarHBondContact O-CG1 3.14Å; R51-I55 PolarHBondContact O-N 3.32Å
52I93.8Very high90.8Very high0 Ų032.6 Ų32.60%019%0.19CC..Hα-helixtrans-61.7-46.5176.2-65169.1000110.1V40 K48 R49 T50 C54 I55 L56 V133 I162V40-I52 HydrophobicContact CB-CD1 4.22Å; V40-I52 HydrophobicContact CB-CG1 4.41Å; V40-I52 HydrophobicContact CG2-CD1 4.24Å; V40-I52 HydrophobicContact CG2-CG1 3.98Å; K48-I52 WeakPolarHBondContact O-CG1 3.49Å; K48-I52 PolarHBondContact O-N 3.43Å; R49-I52 WeakPolarHBondContact O-CB 3.45Å; R49-I52 PolarHBondContact O-N 3.16Å; R49-I52 VanDerWaalsContact O-N 3.13Å; T50-I52 PolarHBondContact O-N 3.03Å; I52-C54 VanDerWaalsContact C-N 3.35Å; I52-C54 PolarHBondContact O-N 3.13Å; I52-I55 WeakPolarHBondContact O-CB 3.25Å; I52-I55 PolarHBondContact O-N 3.13Å; I52-I55 VanDerWaalsContact O-N 3.14Å; I52-L56 HydrophobicContact CG2-CD1 4.33Å; I52-L56 WeakPolarHBondContact O-CG 3.45Å; I52-L56 PolarHBondContact O-N 2.93Å; I52-V133 HydrophobicContact CD1-CG1 4.46Å; I52-V133 HydrophobicContact CG2-CG1 3.85Å; I52-V133 HydrophobicContact CG2-CG2 3.87Å; I52-I162 HydrophobicContact CB-CG2 4.43Å; I52-I162 HydrophobicContact CD1-CG2 3.82Å; I52-I162 HydrophobicContact CG1-CG2 3.74Å; I52-I162 HydrophobicContact CG2-CD1 4.25Å; I52-I162 HydrophobicContact CG2-CG2 3.89Å
53M92.7Very high90.3Very high41 Ų4133.2 Ų33.220%0.20220%0.196CC..Hα-helixtrans-61.7-41.2176.1-66.7-57.4-84.900112.2R49 T50 I55 L56 R57R49-M53 WeakPolarHBondContact O-CG 3.31Å; R49-M53 PolarHBondContact O-N 3.39Å; T50-M53 PolarHBondContact O-N 2.92Å; M53-I55 PolarHBondContact O-N 2.81Å; M53-L56 PolarHBondContact O-N 2.9Å; M53-L56 HydrophobicContact SD-CD1 4.08Å; M53-R57 WeakPolarHBondContact O-CB 3.27Å; M53-R57 PolarHBondContact O-N 3.31Å
54C92.7Very high89.9Confident1 Ų130.3 Ų30.31%0.00718%0.177CC..Hα-helixtrans-62.3-40.6173.7-690000112.3P10 S12 L13 T50 R51 I52 R57 E58P10-C54 PolarHBondContact O-SG 3.09Å; P10-C54 VanDerWaalsContact O-SG 3.38Å; S12-C54 VanDerWaalsContact C-SG 3.58Å; L13-C54 HydrophobicContact CD2-CB 3.63Å; L13-C54 HydrophobicContact CG-CB 3.89Å; T50-C54 PolarHBondContact O-N 3.46Å; T50-C54 PolarHBondContact O-SG 3.13Å; R51-C54 PolarHBondContact O-N 2.77Å; I52-C54 VanDerWaalsContact C-N 3.35Å; I52-C54 PolarHBondContact O-N 3.13Å; C54-R57 PolarHBondContact O-N 2.94Å; C54-E58 WeakPolarHBondContact O-CG 3.32Å; C54-E58 PolarHBondContact O-N 3.28Å
55I92.8Very high89.5Confident2 Ų231.1 Ų31.11%0.0118%0.176CC..Hα-helixtrans-61.8-47.3175.5-70.8164.1000110.2L13 L26 V30 F35 L38 R51 I52 M53 R57 E58 L59 I162L13-I55 HydrophobicContact CD1-CG1 4.38Å; L13-I55 HydrophobicContact CD2-CG1 4.27Å; L26-I55 HydrophobicContact CD1-CD1 4.25Å; L26-I55 HydrophobicContact CD2-CD1 4.16Å; V30-I55 HydrophobicContact CG2-CG2 3.96Å; F35-I55 HydrophobicContact CE2-CG2 3.92Å; F35-I55 HydrophobicContact CZ-CG2 3.8Å; L38-I55 HydrophobicContact CD1-CD1 3.95Å; R51-I55 VanDerWaalsContact O-CG1 3.28Å; R51-I55 WeakPolarHBondContact O-CG1 3.14Å; R51-I55 PolarHBondContact O-N 3.32Å; I52-I55 WeakPolarHBondContact O-CB 3.25Å; I52-I55 PolarHBondContact O-N 3.13Å; I52-I55 VanDerWaalsContact O-N 3.14Å; M53-I55 PolarHBondContact O-N 2.81Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.49Å; I55-E58 PolarHBondContact O-N 2.63Å; I55-L59 HydrophobicContact CG2-CD1 3.9Å; I55-L59 HydrophobicContact CG2-CG 4.47Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 3.46Å; I55-I162 HydrophobicContact CG2-CD1 4.25Å
56L91.3Very high89.4Confident0 Ų039.2 Ų39.20%020%0.2CC..Hα-helixtrans-59.8-44.5178.1-70.4174.9000111.6I52 M53 E58 L59 Y60 V64 H92 V131 V133 I162I52-L56 HydrophobicContact CG2-CD1 4.33Å; I52-L56 WeakPolarHBondContact O-CG 3.45Å; I52-L56 PolarHBondContact O-N 2.93Å; M53-L56 PolarHBondContact O-N 2.9Å; M53-L56 HydrophobicContact SD-CD1 4.08Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.48Å; L56-L59 PolarHBondContact O-N 3.37Å; L56-Y60 HydrophobicContact CD2-CD2 4.5Å; L56-Y60 HydrophobicContact CD2-CE2 4.24Å; L56-Y60 PolarHBondContact O-N 2.93Å; L56-V64 HydrophobicContact CB-CG1 3.73Å; L56-V64 HydrophobicContact CB-CG2 4.27Å; L56-V64 HydrophobicContact CD1-CG1 4.36Å; L56-V64 WeakPolarHBondContact O-CG2 3.45Å; L56-H92 HydrophobicContact CD1-CB 4.27Å; L56-H92 HydrophobicContact CD2-CB 3.98Å; L56-V131 HydrophobicContact CD2-CB 3.83Å; L56-V131 HydrophobicContact CD2-CG1 3.69Å; L56-V131 HydrophobicContact CD2-CG2 4.25Å; L56-V133 HydrophobicContact CD1-CG2 3.93Å; L56-I162 HydrophobicContact CD2-CD1 4.42Å
57R90.5Very high89.2Confident76 Ų7642.4 Ų42.429%0.28722%0.217SC..Hα-helixtrans-65.2-35.1178.9-163.8-165.9-175.8109.8-1.1112.7T11 M53 C54 I55 L59 G61 D65T11-R57 WeakPolarHBondContact O-CD 3.44Å; M53-R57 WeakPolarHBondContact O-CB 3.27Å; M53-R57 PolarHBondContact O-N 3.31Å; C54-R57 PolarHBondContact O-N 2.94Å; I55-R57 VanDerWaalsContact C-N 3.33Å; I55-R57 PolarHBondContact O-N 3.49Å; R57-L59 VanDerWaalsContact C-N 3.35Å; R57-G61 CarbonylContact O-C 3.51Å; R57-G61 WeakPolarHBondContact O-CA 3.49Å; R57-G61 PolarHBondContact O-N 3.35Å; R57-D65 IonicContact CZ-OD2 2.96Å; R57-D65 IonicContact NH1-OD1 3.58Å; R57-D65 IonicContact NH1-OD2 3.69Å; R57-D65 PolarHBondContact NH1-OD2 3.36Å; R57-D65 IonicContact NH2-OD2 3.52Å
58E89.6Confident89.1Confident63 Ų6349.5 Ų49.529%0.29424%0.238SC..Hα-helixtrans-73.9-28.8175.1-61.6-88.2178.700111.3L13 V30 C54 I55 L56L13-E58 HydrophobicContact CD1-CG 4.11Å; L13-E58 HydrophobicContact CG-CG 4.12Å; L13-E58 PolarHBondContact N-OE1 3.03Å; V30-E58 HydrophobicContact CG1-CB 3.8Å; C54-E58 WeakPolarHBondContact O-CG 3.32Å; C54-E58 PolarHBondContact O-N 3.28Å; I55-E58 PolarHBondContact O-N 2.63Å; L56-E58 VanDerWaalsContact C-N 3.33Å; L56-E58 PolarHBondContact O-N 3.48Å
59L88.5Confident88.7Confident17 Ų1755.6 Ų55.69%0.08927%0.269CS..Hα-helixtrans-74.2-44.5175.7-76.1169000113.5V30 F35 I55 L56 R57 F129 V131V30-L59 HydrophobicContact CB-CD2 4.4Å; V30-L59 HydrophobicContact CG1-CD2 3.76Å; V30-L59 HydrophobicContact CG1-CG 3.92Å; V30-L59 HydrophobicContact CG2-CD2 4.43Å; V30-L59 HydrophobicContact CG2-CG 4.27Å; F35-L59 HydrophobicContact CD1-CD1 4.4Å; F35-L59 HydrophobicContact CD2-CD1 4.36Å; F35-L59 HydrophobicContact CD2-CD2 4.18Å; F35-L59 HydrophobicContact CE1-CD1 4.08Å; F35-L59 HydrophobicContact CE2-CD1 4.03Å; F35-L59 HydrophobicContact CG-CD2 4.38Å; F35-L59 HydrophobicContact CZ-CD1 3.87Å; I55-L59 HydrophobicContact CG2-CD1 3.9Å; I55-L59 HydrophobicContact CG2-CG 4.47Å; I55-L59 WeakPolarHBondContact O-CG 3.29Å; I55-L59 PolarHBondContact O-N 3.46Å; L56-L59 PolarHBondContact O-N 3.37Å; R57-L59 VanDerWaalsContact C-N 3.35Å; L59-F129 HydrophobicContact CD2-CZ 4.37Å; L59-V131 HydrophobicContact CD1-CG2 4.46Å
60Y87.3Confident88.3Confident17 Ų1753.8 Ų53.87%0.06727%0.265CS..Hα-helixtrans-122.51.7-169.4-54.3-73.9000114.4L56 V64 F91 K127 F129 V131L56-Y60 HydrophobicContact CD2-CD2 4.5Å; L56-Y60 HydrophobicContact CD2-CE2 4.24Å; L56-Y60 PolarHBondContact O-N 2.93Å; Y60-V64 HydrophobicContact CD2-CG2 4.27Å; Y60-V64 HydrophobicContact CG-CG2 4.48Å; Y60-F91 HydrophobicContact CD1-CB 3.73Å; Y60-F91 HydrophobicContact CD1-CD1 4.07Å; Y60-F91 AromaticContact CD1-CG 3.84Å; Y60-F91 HydrophobicContact CD1-CG 3.84Å; Y60-F91 HydrophobicContact CD2-CB 3.64Å; Y60-F91 HydrophobicContact CD2-CG 4.35Å; Y60-F91 HydrophobicContact CE1-CB 4.03Å; Y60-F91 HydrophobicContact CE2-CB 3.95Å; Y60-F91 HydrophobicContact CG-CB 3.52Å; Y60-F91 HydrophobicContact CG-CD1 4.42Å; Y60-F91 HydrophobicContact CG-CD2 4.09Å; Y60-F91 AromaticContact CG-CG 3.74Å; Y60-F91 HydrophobicContact CG-CG 3.74Å; Y60-K127 HydrophobicContact CE1-CB 4.46Å; Y60-F129 WeakPolarHBondContact OH-CD2 3.38Å; Y60-F129 WeakPolarHBondContact OH-CE2 3.22Å; Y60-F129 PolarHBondContact OH-O 2.93Å; Y60-V131 HydrophobicContact CE2-CB 4.41Å; Y60-V131 HydrophobicContact CE2-CG2 3.99Å; Y60-V131 WeakPolarHBondContact OH-CG2 3.11Å
61G86Confident87.8Confident32 Ų3258.8 Ų58.833%0.3329%0.286SS..G310 helixtrans75.7-157.4-179.100000114R57 G63 V64R57-G61 CarbonylContact O-C 3.51Å; R57-G61 WeakPolarHBondContact O-CA 3.49Å; R57-G61 PolarHBondContact O-N 3.35Å; G61-G63 PolarHBondContact O-N 3.09Å; G61-V64 WeakPolarHBondContact O-CG2 3.29Å
62S82.4Confident87.1Confident87 Ų8761 Ų6161%0.60830%0.296SS*.G310 helixtrans-72.1-12-175.453.90000114.6V64 D65S62-V64 PolarHBondContact O-N 2.81Å; S62-D65 PolarHBondContact O-N 3.38Å
63G81.5Confident86.4Confident19 Ų1965.5 Ų65.520%0.19632%0.324CS..G310 helixtrans-68-15.8178.400000113.8G61 D65 R66G61-G63 PolarHBondContact O-N 3.09Å; G63-D65 VanDerWaalsContact C-N 3.25Å; G63-D65 PolarHBondContact O-N 3.24Å; G63-R66 PolarHBondContact O-N 3.41Å
64V84.7Confident85.6Confident1 Ų164.2 Ų64.21%0.00632%0.317CS..G310 helixtrans-60.8-33.7172.9177.40000112L56 Y60 G61 S62 R66 L67 F91 H92L56-V64 HydrophobicContact CB-CG1 3.73Å; L56-V64 HydrophobicContact CB-CG2 4.27Å; L56-V64 HydrophobicContact CD1-CG1 4.36Å; L56-V64 WeakPolarHBondContact O-CG2 3.45Å; Y60-V64 HydrophobicContact CD2-CG2 4.27Å; Y60-V64 HydrophobicContact CG-CG2 4.48Å; G61-V64 WeakPolarHBondContact O-CG2 3.29Å; S62-V64 PolarHBondContact O-N 2.81Å; V64-R66 PolarHBondContact O-N 2.89Å; V64-L67 WeakPolarHBondContact O-CD2 3.32Å; V64-F91 HydrophobicContact CG2-CD2 4.32Å; V64-H92 WeakPolarHBondContact CG1-CE1 3.47Å; V64-H92 PolarHBondContact O-CE1 2.97Å
65D83.3Confident84.8Confident85 Ų8568.6 Ų68.646%0.45534%0.344SS..G310 helixtrans-71.7-12.6-176.4-63-23.8000112.3R57 S62 G63 L67R57-D65 IonicContact CZ-OD2 2.96Å; R57-D65 IonicContact NH1-OD1 3.58Å; R57-D65 IonicContact NH1-OD2 3.69Å; R57-D65 PolarHBondContact NH1-OD2 3.36Å; R57-D65 IonicContact NH2-OD2 3.52Å; S62-D65 PolarHBondContact O-N 3.38Å; G63-D65 VanDerWaalsContact C-N 3.25Å; G63-D65 PolarHBondContact O-N 3.24Å; D65-L67 VanDerWaalsContact C-N 3.31Å; D65-L67 PolarHBondContact O-N 3.38Å
66R85.9Confident83.7Confident190 Ų19069 Ų6972%0.71735%0.346SS*.  trans-82.675176.4-64.1-176.5177.1-175.4-0.8110.7G63 V64G63-R66 PolarHBondContact O-N 3.41Å; V64-R66 PolarHBondContact O-N 2.89Å
67L86.6Confident82.7Confident69 Ų6973.8 Ų73.836%0.36138%0.377SS..  trans-83.2140.5178.9-57.3177.3000111.2V64 D65 V87 S88V64-L67 WeakPolarHBondContact O-CD2 3.32Å; D65-L67 VanDerWaalsContact C-N 3.31Å; D65-L67 PolarHBondContact O-N 3.38Å; L67-V87 HydrophobicContact CB-CG1 3.73Å; L67-V87 HydrophobicContact CD1-CG1 3.96Å; L67-V87 HydrophobicContact CD2-CG1 4.04Å; L67-V87 HydrophobicContact CG-CG1 4.11Å; L67-S88 CarbonylContact C-O 3.58Å; L67-S88 WeakPolarHBondContact CA-O 3.37Å
68R89.2Confident81.9Confident166 Ų16674 Ų7463%0.62639%0.391SS*.EExtended strand (participates in β ladder)trans-124.6141.9171.8-64.3179-179.2168.6-0.6108.4V87 S88R68-V87 CarbonylContact O-C 3.6Å; R68-S88 PolarHBondContact N-O 2.98Å; R68-S88 PolarHBondContact O-N 3Å; R68-S88 PolarHBondContact O-OG 2.57Å
69M85.9Confident80.9Confident148 Ų14877.9 Ų77.973%0.72941%0.414SS*.EExtended strand (participates in β ladder)trans-88.4123171.8-64.1-164.8-58.300108.4
70E84Confident80.3Confident80 Ų8084 Ų8437%0.37444%0.44SS..EExtended strand (participates in β ladder)trans-113.7137.3175.3-76.5176.4-155.200109.2H72 T86 S88E70-H72 IonicContact OE2-CE1 3.84Å; E70-H72 IonicContact OE2-NE2 3.73Å; E70-T86 PolarHBondContact N-O 2.82Å; E70-T86 PolarHBondContact O-N 2.77Å; E70-T86 PolarHBondContact O-OG1 2.83Å; E70-S88 WeakPolarHBondContact CG-OG 3.35Å; E70-S88 WeakPolarHBondContact OE1-CB 3.44Å; E70-S88 PolarHBondContact OE1-OG 2.8Å
71H81.3Confident79.8Confident137 Ų13791.1 Ų91.163%0.63447%0.471SS*.EExtended strand (participates in β ladder)trans-105.7112.1176-66.2-73.5000108.8
72H79.9Confident79.4Confident50 Ų5090.9 Ų90.923%0.23146%0.463CS..EExtended strand (participates in β ladder)trans-96.7127.7173.8-64.4-76.1000109.6E70 F74 N83 L84 T86E70-H72 IonicContact OE2-CE1 3.84Å; E70-H72 IonicContact OE2-NE2 3.73Å; H72-F74 HydrophobicContact CB-CD2 4.23Å; H72-F74 HydrophobicContact CB-CE2 3.41Å; H72-F74 VanDerWaalsContact CB-CE2 3.41Å; H72-F74 HydrophobicContact CB-CZ 3.61Å; H72-N83 WeakPolarHBondContact O-CA 3.2Å; H72-L84 PolarHBondContact N-O 3.4Å; H72-L84 PolarHBondContact O-N 2.79Å; H72-T86 PolarHBondContact CD2-OG1 3.47Å; H72-T86 PolarHBondContact NE2-OG1 3.15Å
73T77.6Confident79.2Confident95 Ų9592 Ų9258%0.58346%0.462SS*.EExtended strand (participates in β ladder)trans-101.9113.7174.364.60000109.2N83T73-N83 VanDerWaalsContact CG2-OD1 3.3Å; T73-N83 WeakPolarHBondContact CG2-OD1 3.43Å
74F77.2Confident79.2Confident13 Ų1391.1 Ų91.16%0.05745%0.453CS..EExtended strand (participates in β ladder)trans-101.5136.6177.1-61.3-79.2000109.8H72 K81 V82 L84 V107 E110H72-F74 HydrophobicContact CB-CD2 4.23Å; H72-F74 HydrophobicContact CB-CE2 3.41Å; H72-F74 VanDerWaalsContact CB-CE2 3.41Å; H72-F74 HydrophobicContact CB-CZ 3.61Å; F74-K81 CarbonylContact O-C 3.59Å; F74-K81 WeakPolarHBondContact O-CA 3.43Å; F74-V82 PolarHBondContact N-O 3.48Å; F74-V82 PolarHBondContact O-N 3.13Å; F74-L84 HydrophobicContact CD2-CB 4.19Å; F74-L84 HydrophobicContact CE2-CB 3.84Å; F74-L84 HydrophobicContact CE2-CD2 3.85Å; F74-V107 HydrophobicContact CB-CG2 4.13Å; F74-V107 HydrophobicContact CD1-CG2 4.5Å; F74-V107 HydrophobicContact CD2-CB 4.37Å; F74-V107 HydrophobicContact CD2-CG1 3.89Å; F74-V107 HydrophobicContact CD2-CG2 3.8Å; F74-V107 HydrophobicContact CE2-CB 4.43Å; F74-V107 HydrophobicContact CE2-CG1 3.57Å; F74-V107 HydrophobicContact CE2-CG2 4.35Å; F74-V107 HydrophobicContact CG-CG2 3.88Å; F74-V107 HydrophobicContact CZ-CG1 3.96Å; F74-E110 HydrophobicContact CD1-CB 4.4Å; F74-E110 HydrophobicContact CD1-CG 4.35Å; F74-E110 WeakPolarHBondContact CD1-OE2 3.42Å; F74-E110 HydrophobicContact CE1-CB 3.99Å; F74-E110 HydrophobicContact CE1-CG 3.98Å
75T75Confident79Confident94 Ų9494 Ų9458%0.57747%0.473SS*.EExtended strand (participates in β ladder)trans-90.311917150.10000109.2K81T75-K81 HydrophobicContact CG2-CG 4.5Å
76N70.2Confident79.1Confident10 Ų1090 Ų905%0.05345%0.452CS..PPolyproline II helixtrans-73.6167.2176.478.13.2000111.1S78 N79 K80 V82 Y103N76-S78 PolarHBondContact O-N 3.3Å; N76-S78 VanDerWaalsContact O-N 3.09Å; N76-S78 WeakPolarHBondContact OD1-CA 3.07Å; N76-S78 WeakPolarHBondContact OD1-CB 3.43Å; N76-S78 PolarHBondContact OD1-N 3.2Å; N76-N79 PolarHBondContact O-N 3.39Å; N76-N79 PolarHBondContact OD1-N 3.24Å; N76-K80 PolarHBondContact N-O 3.03Å; N76-K80 WeakPolarHBondContact ND2-CB 3.42Å; N76-K80 WeakPolarHBondContact OD1-CA 3.43Å; N76-K80 PolarHBondContact OD1-N 3.3Å; N76-K80 PolarHBondContact OD1-O 2.83Å; N76-V82 HydrophobicContact CB-CG2 4.47Å; N76-Y103 HydrophobicContact CB-CD1 4.31Å; N76-Y103 HydrophobicContact CB-CE1 4.31Å
77P70.9Confident79.1Confident100 Ų10083 Ų8365%0.64943%0.429SS*.THydrogen-bonded Turntrans-60.6-19.1175.1-23.534.5000113.8N79 I106P77-N79 VanDerWaalsContact C-N 3.35Å; P77-I106 HydrophobicContact CG-CD1 3.53Å
78S72.2Confident79Confident81 Ų8180 Ų8057%0.56642%0.415SS*.THydrogen-bonded Turntrans-93.116.4176.5-47.10000113.2N76 K80N76-S78 PolarHBondContact O-N 3.3Å; N76-S78 VanDerWaalsContact O-N 3.09Å; N76-S78 WeakPolarHBondContact OD1-CA 3.07Å; N76-S78 WeakPolarHBondContact OD1-CB 3.43Å; N76-S78 PolarHBondContact OD1-N 3.2Å; S78-K80 PolarHBondContact O-N 3.23Å; S78-K80 VanDerWaalsContact O-N 3.09Å
79N70.4Confident78.7Confident145 Ų14572.8 Ų72.878%0.77539%0.389SS*.SBendtrans5614.9-176.9-72.7-29.2000117.5N76 P77N76-N79 PolarHBondContact O-N 3.39Å; N76-N79 PolarHBondContact OD1-N 3.24Å; P77-N79 VanDerWaalsContact C-N 3.35Å
80K75.5Confident78.4Confident146 Ų14670 Ų7064%0.63538%0.378SS*.  trans-83.5139166.2-52.1-176.1175.1-178.80110.6N76 S78N76-K80 PolarHBondContact N-O 3.03Å; N76-K80 WeakPolarHBondContact ND2-CB 3.42Å; N76-K80 WeakPolarHBondContact OD1-CA 3.43Å; N76-K80 PolarHBondContact OD1-N 3.3Å; N76-K80 PolarHBondContact OD1-O 2.83Å; S78-K80 PolarHBondContact O-N 3.23Å; S78-K80 VanDerWaalsContact O-N 3.09Å
81K76.4Confident78.4Confident165 Ų16567.2 Ų67.272%0.71736%0.364SS*.EExtended strand (participates in β ladder)trans-82.6124.9174.6-62.6-177.3-179.1-177.60109.6F74 T75F74-K81 CarbonylContact O-C 3.59Å; F74-K81 WeakPolarHBondContact O-CA 3.43Å; T75-K81 HydrophobicContact CG2-CG 4.5Å
82V76.9Confident78.8Confident28 Ų2860.7 Ų60.717%0.1733%0.334CS..EExtended strand (participates in β ladder)trans-107.3121.7172.6-178.90000107.1F74 N76 Y103F74-V82 PolarHBondContact N-O 3.48Å; F74-V82 PolarHBondContact O-N 3.13Å; N76-V82 HydrophobicContact CB-CG2 4.47Å; V82-Y103 HydrophobicContact CG2-CD2 4.05Å
83N78.3Confident79.2Confident109 Ų10958.3 Ų58.358%0.58332%0.323SS*.EExtended strand (participates in β ladder)trans-96.9125179.6-61-22000108.6H72 T73H72-N83 WeakPolarHBondContact O-CA 3.2Å; T73-N83 VanDerWaalsContact CG2-OD1 3.3Å; T73-N83 WeakPolarHBondContact CG2-OD1 3.43Å
84L81.1Confident79.9Confident2 Ų254.1 Ų54.11%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-110.9124.7173.9177.583.6000108.2H72 F74 T86 V95 D99 V100 V107 L111H72-L84 PolarHBondContact N-O 3.4Å; H72-L84 PolarHBondContact O-N 2.79Å; F74-L84 HydrophobicContact CD2-CB 4.19Å; F74-L84 HydrophobicContact CE2-CB 3.84Å; F74-L84 HydrophobicContact CE2-CD2 3.85Å; L84-T86 HydrophobicContact CD2-CG2 3.22Å; L84-T86 HydrophobicContact CG-CG2 3.69Å; L84-V95 HydrophobicContact CD1-CG1 4.15Å; L84-V95 HydrophobicContact CD2-CG1 4.06Å; L84-D99 HydrophobicContact CD1-CB 4.28Å; L84-V100 HydrophobicContact CD1-CG2 3.32Å; L84-V107 HydrophobicContact CD2-CG1 3.81Å; L84-L111 HydrophobicContact CD2-CD1 3.66Å
85S81.4Confident80.5Confident60 Ų6053.6 Ų53.642%0.4230%0.295SS..EExtended strand (participates in β ladder)trans-86.6120.7165.647.50000109.7
86T84.4Confident81.1Confident2 Ų251.2 Ų51.21%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-118150.4174.557.40000110.3E70 H72 L84 L93 V95 L111E70-T86 PolarHBondContact N-O 2.82Å; E70-T86 PolarHBondContact O-N 2.77Å; E70-T86 PolarHBondContact O-OG1 2.83Å; H72-T86 PolarHBondContact CD2-OG1 3.47Å; H72-T86 PolarHBondContact NE2-OG1 3.15Å; L84-T86 HydrophobicContact CD2-CG2 3.22Å; L84-T86 HydrophobicContact CG-CG2 3.69Å; T86-L93 HydrophobicContact CG2-CD1 4.47Å; T86-V95 HydrophobicContact CG2-CG1 4.34Å; T86-V95 HydrophobicContact CG2-CG2 3.95Å; T86-L111 HydrophobicContact CG2-CD1 3.91Å
87V86.4Confident81.4Confident42 Ų4250.9 Ų50.926%0.25528%0.277SS..EExtended strand (participates in β ladder)trans-101106.3174-174.90000107.3L67 R68 E94L67-V87 HydrophobicContact CB-CG1 3.73Å; L67-V87 HydrophobicContact CD1-CG1 3.96Å; L67-V87 HydrophobicContact CD2-CG1 4.04Å; L67-V87 HydrophobicContact CG-CG1 4.11Å; R68-V87 CarbonylContact O-C 3.6Å; V87-E94 HydrophobicContact CB-CB 4.29Å; V87-E94 PolarHBondContact N-O 2.94Å; V87-E94 VanDerWaalsContact N-O 3.13Å; V87-E94 PolarHBondContact O-N 2.8Å
88S84.2Confident81.6Confident8 Ų848.6 Ų48.66%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-97.9150.9-179.271.60000111.2L67 R68 E70L67-S88 CarbonylContact C-O 3.58Å; L67-S88 WeakPolarHBondContact CA-O 3.37Å; R68-S88 PolarHBondContact N-O 2.98Å; R68-S88 PolarHBondContact O-N 3Å; R68-S88 PolarHBondContact O-OG 2.57Å; E70-S88 WeakPolarHBondContact CG-OG 3.35Å; E70-S88 WeakPolarHBondContact OE1-CB 3.44Å; E70-S88 PolarHBondContact OE1-OG 2.8Å
89S83.9Confident81.8Confident13 Ų1349 Ų499%0.09126%0.259CS..  trans-135167.8166.2-178.50000107.2F91 H92S89-F91 PolarHBondContact O-N 2.93Å; S89-F91 VanDerWaalsContact O-N 3.09Å; S89-H92 WeakPolarHBondContact CA-O 3.36Å; S89-H92 WeakPolarHBondContact CB-CE1 3.29Å; S89-H92 VanDerWaalsContact CB-ND1 3.32Å; S89-H92 WeakPolarHBondContact CB-ND1 3.33Å; S89-H92 WeakPolarHBondContact CB-O 3.16Å; S89-H92 PolarHBondContact N-O 3.17Å; S89-H92 VanDerWaalsContact O-O 3.11Å
90N79.8Confident82.1Confident90 Ų9042.6 Ų42.648%0.48123%0.225SC..SBendtrans-58-28.3177.6-64.9-14.5000112.5
91F83.7Confident82.1Confident21 Ų2137.7 Ų37.79%0.09222%0.216CC..SBendtrans-111-24.5-172.2-47.6-55.8000114.4Y60 V64 S89 V131Y60-F91 HydrophobicContact CD1-CB 3.73Å; Y60-F91 HydrophobicContact CD1-CD1 4.07Å; Y60-F91 AromaticContact CD1-CG 3.84Å; Y60-F91 HydrophobicContact CD1-CG 3.84Å; Y60-F91 HydrophobicContact CD2-CB 3.64Å; Y60-F91 HydrophobicContact CD2-CG 4.35Å; Y60-F91 HydrophobicContact CE1-CB 4.03Å; Y60-F91 HydrophobicContact CE2-CB 3.95Å; Y60-F91 HydrophobicContact CG-CB 3.52Å; Y60-F91 HydrophobicContact CG-CD1 4.42Å; Y60-F91 HydrophobicContact CG-CD2 4.09Å; Y60-F91 AromaticContact CG-CG 3.74Å; Y60-F91 HydrophobicContact CG-CG 3.74Å; V64-F91 HydrophobicContact CG2-CD2 4.32Å; S89-F91 PolarHBondContact O-N 2.93Å; S89-F91 VanDerWaalsContact O-N 3.09Å; F91-V131 PolarHBondContact O-N 2.83Å; F91-V131 VanDerWaalsContact O-N 3.13Å
92H88.8Confident82.1Confident0 Ų036.9 Ų36.90%022%0.218CC..EExtended strand (participates in β ladder)trans-143.6159.6-176.275.5-76.7000112.9L56 V64 S89 V131L56-H92 HydrophobicContact CD1-CB 4.27Å; L56-H92 HydrophobicContact CD2-CB 3.98Å; V64-H92 WeakPolarHBondContact CG1-CE1 3.47Å; V64-H92 PolarHBondContact O-CE1 2.97Å; S89-H92 WeakPolarHBondContact CA-O 3.36Å; S89-H92 WeakPolarHBondContact CB-CE1 3.29Å; S89-H92 VanDerWaalsContact CB-ND1 3.32Å; S89-H92 WeakPolarHBondContact CB-ND1 3.33Å; S89-H92 WeakPolarHBondContact CB-O 3.16Å; S89-H92 PolarHBondContact N-O 3.17Å; S89-H92 VanDerWaalsContact O-O 3.11Å; H92-V131 CarbonylContact C-O 3.57Å; H92-V131 WeakPolarHBondContact CA-O 3.35Å; H92-V131 HydrophobicContact CB-CB 4.24Å; H92-V131 WeakPolarHBondContact CB-O 3.37Å
93L89.9Confident82.3Confident1 Ų139.8 Ų39.81%0.00523%0.227CC..EExtended strand (participates in β ladder)trans-129.1122.6175.9-179.667.4000109T86 V95 L111 M115 V131 V132 V133T86-L93 HydrophobicContact CG2-CD1 4.47Å; L93-V95 HydrophobicContact CD2-CG2 4.26Å; L93-V95 HydrophobicContact CG-CG2 4.03Å; L93-L111 HydrophobicContact CD2-CD1 3.96Å; L93-L111 HydrophobicContact CD2-CD2 3.41Å; L93-L111 VanDerWaalsContact CD2-CD2 3.41Å; L93-L111 HydrophobicContact CD2-CG 3.65Å; L93-M115 HydrophobicContact CB-CE 3.8Å; L93-M115 HydrophobicContact CB-SD 4.27Å; L93-M115 HydrophobicContact CD2-CE 4.37Å; L93-M115 HydrophobicContact CD2-CG 3.59Å; L93-M115 HydrophobicContact CD2-SD 3.78Å; L93-V131 PolarHBondContact N-O 3.23Å; L93-V132 HydrophobicContact CB-CG2 4.43Å; L93-V132 CarbonylContact O-C 3.57Å; L93-V132 WeakPolarHBondContact O-CA 3.3Å; L93-V133 PolarHBondContact O-N 3.45Å
94E91.2Very high82.6Confident7 Ų734.7 Ų34.73%0.03320%0.2CC..EExtended strand (participates in β ladder)trans-96.1133.4172.1-53.1-164.5149.200110.5R49 V87 V133 H135R49-E94 IonicContact CZ-OE2 2.76Å; R49-E94 VanDerWaalsContact CZ-OE2 3.25Å; R49-E94 IonicContact NH1-OE1 3.64Å; R49-E94 IonicContact NH1-OE2 2.77Å; R49-E94 PolarHBondContact NH1-OE2 3.2Å; R49-E94 IonicContact NH2-OE1 3.78Å; R49-E94 IonicContact NH2-OE2 3.58Å; R49-E94 PolarHBondContact NH2-OE2 3.49Å; V87-E94 HydrophobicContact CB-CB 4.29Å; V87-E94 PolarHBondContact N-O 2.94Å; V87-E94 VanDerWaalsContact N-O 3.13Å; V87-E94 PolarHBondContact O-N 2.8Å; E94-V133 WeakPolarHBondContact CA-O 3.36Å; E94-V133 HydrophobicContact CG-CB 4.21Å; E94-H135 IonicContact OE1-NE2 3Å; E94-H135 IonicContact OE2-NE2 3.75Å
95V89.6Confident82.8Confident2 Ų240 Ų401%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-135.2137.2177.6-170.30000109.4L84 T86 L93 L111 V133 L134 H135L84-V95 HydrophobicContact CD1-CG1 4.15Å; L84-V95 HydrophobicContact CD2-CG1 4.06Å; T86-V95 HydrophobicContact CG2-CG1 4.34Å; T86-V95 HydrophobicContact CG2-CG2 3.95Å; L93-V95 HydrophobicContact CD2-CG2 4.26Å; L93-V95 HydrophobicContact CG-CG2 4.03Å; V95-L111 HydrophobicContact CG1-CD1 4.32Å; V95-L111 HydrophobicContact CG2-CD1 3.57Å; V95-L111 HydrophobicContact CG2-CD2 3.99Å; V95-L111 HydrophobicContact CG2-CG 4.42Å; V95-V133 PolarHBondContact N-O 3.35Å; V95-L134 HydrophobicContact CB-CD2 3.83Å; V95-L134 HydrophobicContact CG2-CD2 4.3Å; V95-H135 PolarHBondContact O-N 3.49Å
96N87.9Confident82.9Confident43 Ų4340.2 Ų40.223%0.2322%0.215CC..  trans-100.6117.1164.8-165.5-17.8000109.5S98 D99 E136N96-S98 PolarHBondContact O-N 2.93Å; N96-S98 WeakPolarHBondContact OD1-CB 3.46Å; N96-S98 PolarHBondContact OD1-N 3.1Å; N96-S98 VanDerWaalsContact OD1-N 3.08Å; N96-S98 PolarHBondContact OD1-OG 2.93Å; N96-D99 PolarHBondContact O-N 2.88Å; N96-E136 PolarHBondContact ND2-OE2 2.9Å; N96-E136 VanDerWaalsContact ND2-OE2 3.12Å; N96-E136 PolarHBondContact OD1-OE2 3.33Å
97P76.6Confident82.9Confident4 Ų440.2 Ų40.23%0.02622%0.216CC..G310 helixtrans-66-22.617829.3-36.7000113.3D99 V100 H135 E136 L140P97-D99 PolarHBondContact O-N 2.9Å; P97-D99 VanDerWaalsContact O-N 3.12Å; P97-V100 PolarHBondContact O-N 2.87Å; P97-V100 VanDerWaalsContact O-N 3.15Å; P97-H135 WeakPolarHBondContact CD-O 3.29Å; P97-H135 WeakPolarHBondContact CG-O 3.36Å; P97-E136 VanDerWaalsContact CG-O 3.31Å; P97-E136 WeakPolarHBondContact CG-O 3.27Å; P97-L140 HydrophobicContact CB-CD2 3.37Å; P97-L140 HydrophobicContact CB-CG 3.71Å; P97-L140 HydrophobicContact CG-CD2 4.26Å; P97-L140 HydrophobicContact CG-CG 4.06Å
98S75.9Confident82.9Confident52 Ų5238.3 Ų38.336%0.36420%0.204SC..G310 helixtrans-58.2-25.4-179.9-60.20000112.8N96 V100 E136 H139N96-S98 PolarHBondContact O-N 2.93Å; N96-S98 WeakPolarHBondContact OD1-CB 3.46Å; N96-S98 PolarHBondContact OD1-N 3.1Å; N96-S98 VanDerWaalsContact OD1-N 3.08Å; N96-S98 PolarHBondContact OD1-OG 2.93Å; S98-V100 PolarHBondContact O-N 3.46Å; S98-E136 PolarHBondContact OG-OE2 2.93Å; S98-H139 PolarHBondContact OG-CD2 2.77Å
99D76.1Confident82.9Confident90 Ų9039.8 Ų39.848%0.48121%0.21SC..G310 helixtrans-75.1-20.9-178.5-61.1-21.4000113.6L84 N96 P97L84-D99 HydrophobicContact CD1-CB 4.28Å; N96-D99 PolarHBondContact O-N 2.88Å; P97-D99 PolarHBondContact O-N 2.9Å; P97-D99 VanDerWaalsContact O-N 3.12Å
100V76.4Confident83Confident9 Ų943.7 Ų43.76%0.05523%0.227CC..THydrogen-bonded Turntrans-95.4-23.4-170.7-169.80000113.1L84 P97 S98 I102 D104 V107L84-V100 HydrophobicContact CD1-CG2 3.32Å; P97-V100 PolarHBondContact O-N 2.87Å; P97-V100 VanDerWaalsContact O-N 3.15Å; S98-V100 PolarHBondContact O-N 3.46Å; V100-I102 PolarHBondContact O-N 3.37Å; V100-D104 HydrophobicContact CB-CB 4.49Å; V100-D104 HydrophobicContact CG1-CB 4.5Å; V100-V107 HydrophobicContact CG1-CB 3.81Å; V100-V107 HydrophobicContact CG1-CG1 4.22Å; V100-V107 HydrophobicContact CG1-CG2 3.46Å; V100-V107 VanDerWaalsContact CG1-CG2 3.46Å; V100-V107 HydrophobicContact CG2-CB 4.42Å; V100-V107 HydrophobicContact CG2-CG1 3.97Å
101G76.3Confident83.2Confident44 Ų4439.4 Ų39.445%0.45420%0.204SC..G310 helixtrans59.4-133-175.600000112.9Y103 D104G101-Y103 PolarHBondContact O-N 3.15Å; G101-D104 WeakPolarHBondContact O-CB 3.45Å; G101-D104 PolarHBondContact O-N 2.66Å
102I76.4Confident83.4Confident148 Ų14838.6 Ų38.676%0.75920%0.2SC*.G310 helixtrans-68.4-19.1-170-51.8169.5000112.9V100 D104V100-I102 PolarHBondContact O-N 3.37Å; I102-D104 VanDerWaalsContact C-N 3.3Å; I102-D104 PolarHBondContact O-N 3.24Å
103Y80.2Confident83.3Confident88 Ų8843.1 Ų43.135%0.34522%0.22SC..G310 helixtrans-90.88.6-176.9-54.8-66.1000113.7N76 V82 G101 R105 I106 V107N76-Y103 HydrophobicContact CB-CD1 4.31Å; N76-Y103 HydrophobicContact CB-CE1 4.31Å; V82-Y103 HydrophobicContact CG2-CD2 4.05Å; G101-Y103 PolarHBondContact O-N 3.15Å; Y103-R105 PolarHBondContact O-N 3.16Å; Y103-R105 VanDerWaalsContact O-N 3.13Å; Y103-I106 PolarHBondContact O-N 3.11Å; Y103-I106 VanDerWaalsContact O-N 3.13Å; Y103-V107 PolarHBondContact O-N 3.26Å
104D84.2Confident83.1Confident3 Ų345.4 Ų45.42%0.01624%0.236CC..Hα-helixtrans-48.3-39.4-178.761.5-9.5000113.8V100 G101 I102 I106 V107 I108 L140 T141 A144V100-D104 HydrophobicContact CB-CB 4.49Å; V100-D104 HydrophobicContact CG1-CB 4.5Å; G101-D104 WeakPolarHBondContact O-CB 3.45Å; G101-D104 PolarHBondContact O-N 2.66Å; I102-D104 VanDerWaalsContact C-N 3.3Å; I102-D104 PolarHBondContact O-N 3.24Å; D104-I106 VanDerWaalsContact C-N 3.34Å; D104-I106 PolarHBondContact O-N 3.5Å; D104-V107 PolarHBondContact O-N 3.41Å; D104-I108 WeakPolarHBondContact O-CB 3.4Å; D104-I108 WeakPolarHBondContact O-CG1 3.43Å; D104-I108 PolarHBondContact O-N 3.36Å; D104-L140 HydrophobicContact CB-CD2 4.01Å; D104-T141 VanDerWaalsContact CG-OG1 3.29Å; D104-T141 PolarHBondContact OD1-OG1 3.08Å; D104-T141 WeakPolarHBondContact OD2-CB 3.32Å; D104-T141 VanDerWaalsContact OD2-CG2 3.3Å; D104-T141 WeakPolarHBondContact OD2-CG2 3.14Å; D104-T141 PolarHBondContact OD2-N 2.89Å; D104-T141 PolarHBondContact OD2-OG1 3.26Å; D104-A144 HydrophobicContact CB-CB 4.11Å; D104-A144 WeakPolarHBondContact OD1-CB 3.21Å; D104-A144 WeakPolarHBondContact OD2-CB 3.39Å
105R86Confident82.7Confident112 Ų11246.4 Ų46.442%0.42324%0.241SC..Hα-helixtrans-56.7-43.9-179.6174.2178.2165.8178.1-2.2113.3Y103 Q109 A144 A147Y103-R105 PolarHBondContact O-N 3.16Å; Y103-R105 VanDerWaalsContact O-N 3.13Å; R105-Q109 VanDerWaalsContact O-CG 3.31Å; R105-Q109 WeakPolarHBondContact O-CG 3.44Å; R105-Q109 PolarHBondContact O-N 2.91Å; R105-A144 HydrophobicContact CB-CB 4.14Å; R105-A147 HydrophobicContact CG-CB 3.99Å
106I83.1Confident82.3Confident65 Ų6547 Ų4733%0.33325%0.246SC..Hα-helixtrans-76.1-48.4-174.8-61.8170.7000108.7P77 Y103 D104 I108 Q109 E110P77-I106 HydrophobicContact CG-CD1 3.53Å; Y103-I106 PolarHBondContact O-N 3.11Å; Y103-I106 VanDerWaalsContact O-N 3.13Å; D104-I106 VanDerWaalsContact C-N 3.34Å; D104-I106 PolarHBondContact O-N 3.5Å; I106-I108 PolarHBondContact O-N 2.93Å; I106-Q109 PolarHBondContact O-N 3.33Å; I106-E110 PolarHBondContact O-N 3.25Å
107V84.2Confident81.9Confident3 Ų349.3 Ų49.32%0.01827%0.266CS..Hα-helixtrans-58.4-48.9-178.3173.30000111.5F74 L84 V100 Y103 D104 Q109 E110 L111F74-V107 HydrophobicContact CB-CG2 4.13Å; F74-V107 HydrophobicContact CD1-CG2 4.5Å; F74-V107 HydrophobicContact CD2-CB 4.37Å; F74-V107 HydrophobicContact CD2-CG1 3.89Å; F74-V107 HydrophobicContact CD2-CG2 3.8Å; F74-V107 HydrophobicContact CE2-CB 4.43Å; F74-V107 HydrophobicContact CE2-CG1 3.57Å; F74-V107 HydrophobicContact CE2-CG2 4.35Å; F74-V107 HydrophobicContact CG-CG2 3.88Å; F74-V107 HydrophobicContact CZ-CG1 3.96Å; L84-V107 HydrophobicContact CD2-CG1 3.81Å; V100-V107 HydrophobicContact CG1-CB 3.81Å; V100-V107 HydrophobicContact CG1-CG1 4.22Å; V100-V107 HydrophobicContact CG1-CG2 3.46Å; V100-V107 VanDerWaalsContact CG1-CG2 3.46Å; V100-V107 HydrophobicContact CG2-CB 4.42Å; V100-V107 HydrophobicContact CG2-CG1 3.97Å; Y103-V107 PolarHBondContact O-N 3.26Å; D104-V107 PolarHBondContact O-N 3.41Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.08Å; V107-E110 PolarHBondContact O-N 3.12Å; V107-L111 WeakPolarHBondContact O-CB 3.43Å; V107-L111 PolarHBondContact O-N 2.81Å
108I86.4Confident81.8Confident2 Ų252.8 Ų52.81%0.0129%0.287CS..Hα-helixtrans-63.5-39.6-179.7-66.5-66.6000111.7D104 I106 I112 L134 L140 L148D104-I108 WeakPolarHBondContact O-CB 3.4Å; D104-I108 WeakPolarHBondContact O-CG1 3.43Å; D104-I108 PolarHBondContact O-N 3.36Å; I106-I108 PolarHBondContact O-N 2.93Å; I108-I112 HydrophobicContact CG2-CD1 3.8Å; I108-I112 WeakPolarHBondContact O-CB 3.26Å; I108-I112 WeakPolarHBondContact O-CD1 3.35Å; I108-I112 VanDerWaalsContact O-CG1 3.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 2.82Å; I108-I112 VanDerWaalsContact O-N 3.09Å; I108-L134 HydrophobicContact CD1-CD1 4.45Å; I108-L134 HydrophobicContact CD1-CD2 3.87Å; I108-L140 HydrophobicContact CD1-CD2 4.49Å; I108-L140 HydrophobicContact CG1-CD2 4.1Å; I108-L148 HydrophobicContact CG2-CD1 3.82Å
109Q85.1Confident81.2Confident39 Ų3954.1 Ų54.118%0.18230%0.301CS..Hα-helixtrans-66.3-43.5177.9-76-176.231.600112.4R105 I106 V107 K113 A147 T151R105-Q109 VanDerWaalsContact O-CG 3.31Å; R105-Q109 WeakPolarHBondContact O-CG 3.44Å; R105-Q109 PolarHBondContact O-N 2.91Å; I106-Q109 PolarHBondContact O-N 3.33Å; V107-Q109 VanDerWaalsContact C-N 3.34Å; V107-Q109 PolarHBondContact O-N 3.08Å; Q109-K113 WeakPolarHBondContact O-CB 3.37Å; Q109-K113 WeakPolarHBondContact O-CD 2.82Å; Q109-K113 WeakPolarHBondContact O-CG 2.79Å; Q109-K113 PolarHBondContact O-N 2.78Å; Q109-A147 HydrophobicContact CG-CB 3.81Å; Q109-T151 HydrophobicContact CG-CG2 4.12Å
110E84.7Confident80.6Confident94 Ų9451.8 Ų51.844%0.43929%0.288SS..Hα-helixtrans-70.9-41.7-177.6-169.1169.7178.600111.6F74 I106 V107 I112 K113 S114F74-E110 HydrophobicContact CD1-CB 4.4Å; F74-E110 HydrophobicContact CD1-CG 4.35Å; F74-E110 WeakPolarHBondContact CD1-OE2 3.42Å; F74-E110 HydrophobicContact CE1-CB 3.99Å; F74-E110 HydrophobicContact CE1-CG 3.98Å; I106-E110 PolarHBondContact O-N 3.25Å; V107-E110 PolarHBondContact O-N 3.12Å; E110-I112 PolarHBondContact O-N 3.3Å; E110-K113 WeakPolarHBondContact O-CB 3.17Å; E110-K113 PolarHBondContact O-N 2.94Å; E110-S114 PolarHBondContact O-N 2.78Å; E110-S114 PolarHBondContact O-OG 2.96Å
111L85.5Confident79.8Confident1 Ų159.7 Ų59.71%0.00533%0.328CS..Hα-helixtrans-58.8-48.3174.8-176.3149.3000111.3L84 T86 L93 V95 V107 K113 S114 M115 V132L84-L111 HydrophobicContact CD2-CD1 3.66Å; T86-L111 HydrophobicContact CG2-CD1 3.91Å; L93-L111 HydrophobicContact CD2-CD1 3.96Å; L93-L111 HydrophobicContact CD2-CD2 3.41Å; L93-L111 VanDerWaalsContact CD2-CD2 3.41Å; L93-L111 HydrophobicContact CD2-CG 3.65Å; V95-L111 HydrophobicContact CG1-CD1 4.32Å; V95-L111 HydrophobicContact CG2-CD1 3.57Å; V95-L111 HydrophobicContact CG2-CD2 3.99Å; V95-L111 HydrophobicContact CG2-CG 4.42Å; V107-L111 WeakPolarHBondContact O-CB 3.43Å; V107-L111 PolarHBondContact O-N 2.81Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 3.49Å; L111-S114 PolarHBondContact O-N 3.48Å; L111-S114 PolarHBondContact O-OG 2.91Å; L111-M115 WeakPolarHBondContact O-CG 3.31Å; L111-M115 PolarHBondContact O-N 3.32Å; L111-V132 HydrophobicContact CD2-CG1 4.14Å
112I87Confident78.8Confident3 Ų363.2 Ų63.22%0.01534%0.337CS..Hα-helixtrans-64.9-37.5177.1-65.2168.7000111.4I108 E110 M115 A116 L148 Y155 L161I108-I112 HydrophobicContact CG2-CD1 3.8Å; I108-I112 WeakPolarHBondContact O-CB 3.26Å; I108-I112 WeakPolarHBondContact O-CD1 3.35Å; I108-I112 VanDerWaalsContact O-CG1 3.25Å; I108-I112 WeakPolarHBondContact O-CG1 3.45Å; I108-I112 PolarHBondContact O-N 2.82Å; I108-I112 VanDerWaalsContact O-N 3.09Å; E110-I112 PolarHBondContact O-N 3.3Å; I112-M115 PolarHBondContact O-N 3.48Å; I112-A116 VanDerWaalsContact O-CB 3.22Å; I112-A116 WeakPolarHBondContact O-CB 3.45Å; I112-A116 PolarHBondContact O-N 3.12Å; I112-L148 HydrophobicContact CD1-CD1 3.43Å; I112-L148 VanDerWaalsContact CD1-CD1 3.43Å; I112-Y155 HydrophobicContact CG2-CD2 4.09Å; I112-L161 HydrophobicContact CD1-CD1 4.49Å; I112-L161 HydrophobicContact CD1-CD2 4.49Å
113K87.2Confident77.9Confident96 Ų9660.6 Ų60.642%0.41733%0.332SS..Hα-helixtrans-62.9-46.5176.3-76169.2-173.7175.30111.9Q109 E110 L111 M115 A116 S117 Y155Q109-K113 WeakPolarHBondContact O-CB 3.37Å; Q109-K113 WeakPolarHBondContact O-CD 2.82Å; Q109-K113 WeakPolarHBondContact O-CG 2.79Å; Q109-K113 PolarHBondContact O-N 2.78Å; E110-K113 WeakPolarHBondContact O-CB 3.17Å; E110-K113 PolarHBondContact O-N 2.94Å; L111-K113 VanDerWaalsContact C-N 3.33Å; L111-K113 PolarHBondContact O-N 3.49Å; K113-M115 VanDerWaalsContact C-N 3.31Å; K113-M115 PolarHBondContact O-N 3.33Å; K113-A116 PolarHBondContact O-N 3.33Å; K113-S117 PolarHBondContact O-N 2.91Å; K113-S117 PolarHBondContact O-OG 3.44Å; K113-Y155 HydrophobicContact CG-CE2 3.95Å
114S84.2Confident76.8Confident48 Ų4860 Ų6034%0.33635%0.353SS..Hα-helixtrans-63.2-37.817970.70000112.2E110 L111 S117 T118E110-S114 PolarHBondContact O-N 2.78Å; E110-S114 PolarHBondContact O-OG 2.96Å; L111-S114 PolarHBondContact O-N 3.48Å; L111-S114 PolarHBondContact O-OG 2.91Å; S114-S117 WeakPolarHBondContact CA-OG 3.21Å; S114-S117 PolarHBondContact O-OG 2.93Å; S114-T118 PolarHBondContact O-N 3.14Å; S114-T118 PolarHBondContact O-OG1 3.44Å
115M83.1Confident75.6Confident28 Ų2869.1 Ų69.114%0.13840%0.395CS..Hα-helixtrans-69.9-41175.7-72-59.3-68.400112.1L93 L111 I112 K113 S117 T118 K130 V132L93-M115 HydrophobicContact CB-CE 3.8Å; L93-M115 HydrophobicContact CB-SD 4.27Å; L93-M115 HydrophobicContact CD2-CE 4.37Å; L93-M115 HydrophobicContact CD2-CG 3.59Å; L93-M115 HydrophobicContact CD2-SD 3.78Å; L111-M115 WeakPolarHBondContact O-CG 3.31Å; L111-M115 PolarHBondContact O-N 3.32Å; I112-M115 PolarHBondContact O-N 3.48Å; K113-M115 VanDerWaalsContact C-N 3.31Å; K113-M115 PolarHBondContact O-N 3.33Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 2.92Å; M115-T118 PolarHBondContact O-N 3.28Å; M115-K130 HydrophobicContact CE-CD 3.99Å; M115-V132 HydrophobicContact CB-CG2 4.4Å; M115-V132 HydrophobicContact CG-CG2 4.34Å
116A81.6Confident74.5Confident15 Ų1566.6 Ų66.612%0.12439%0.388CS..Hα-helixtrans-68.1-30.6178.200000113.1I112 K113 Y155I112-A116 VanDerWaalsContact O-CB 3.22Å; I112-A116 WeakPolarHBondContact O-CB 3.45Å; I112-A116 PolarHBondContact O-N 3.12Å; K113-A116 PolarHBondContact O-N 3.33Å; A116-Y155 HydrophobicContact CB-CD1 3.63Å; A116-Y155 HydrophobicContact CB-CD2 4.25Å; A116-Y155 HydrophobicContact CB-CE1 4.07Å; A116-Y155 HydrophobicContact CB-CG 3.75Å
117S79.6Confident73.9Confident92 Ų9266.4 Ų66.464%0.64339%0.385SS*.Hα-helixtrans-76.1-23.2175.752.70000113.4K113 S114 M115 A119K113-S117 PolarHBondContact O-N 2.91Å; K113-S117 PolarHBondContact O-OG 3.44Å; S114-S117 WeakPolarHBondContact CA-OG 3.21Å; S114-S117 PolarHBondContact O-OG 2.93Å; M115-S117 VanDerWaalsContact C-N 3.34Å; M115-S117 PolarHBondContact O-N 2.92Å; S117-A119 PolarHBondContact O-N 3.42Å; S117-A119 VanDerWaalsContact O-N 3.16Å
118T74.8Confident73.6Confident76 Ų7672.6 Ų72.647%0.46642%0.418SS..SBendtrans-84.192.8-179.2-510000109.4S114 M115 K130S114-T118 PolarHBondContact O-N 3.14Å; S114-T118 PolarHBondContact O-OG1 3.44Å; M115-T118 PolarHBondContact O-N 3.28Å; T118-K130 VanDerWaalsContact CB-NZ 3.35Å; T118-K130 VanDerWaalsContact O-CE 3.27Å; T118-K130 WeakPolarHBondContact O-CE 3.33Å; T118-K130 PolarHBondContact O-NZ 3.01Å
119A63.9Low73.5Confident81 Ų8173.1 Ų73.167%0.66942%0.42SS*.  trans-61.2148.7174.700000111.8S117S117-A119 PolarHBondContact O-N 3.42Å; S117-A119 VanDerWaalsContact O-N 3.16Å
120Q63.7Low73.6Confident41 Ų4172.2 Ų72.219%0.19242%0.416CS..  trans-78.3127.3167.4-71.5-172.4-14.600108.7K127 K130Q120-K127 PolarHBondContact OE1-O 3.08Å; Q120-K127 VanDerWaalsContact OE1-O 3.08Å; Q120-K130 HydrophobicContact CG-CG 4.08Å
121L58.4Low74Confident174 Ų17467.8 Ų67.891%0.91140%0.395SS*.SBendtrans-73.3-29.6-177.7-69163.8000112.3
122D56.3Low74.3Confident119 Ų11967.7 Ų67.764%0.63640%0.395SS*.  trans-101.189-174.4-91.2-24000112.1G124D122-G124 VanDerWaalsContact C-N 3.3Å; D122-G124 PolarHBondContact O-N 2.91Å
123S57.5Low74.7Confident92 Ų9267.6 Ų67.664%0.64339%0.394SS*.THydrogen-bonded Turntrans-75.7-15.2177.4-35.30000113.6Q125S123-Q125 PolarHBondContact O-N 3.38Å
124G57Low74.9Confident77 Ų7763 Ų6379%0.79437%0.374SS*.THydrogen-bonded Turntrans-74.1-22.8-163.500000116.3D122D122-G124 VanDerWaalsContact C-N 3.3Å; D122-G124 PolarHBondContact O-N 2.91Å
125Q57.3Low75.3Confident194 Ų19461.8 Ų61.891%0.90736%0.363SS*.THydrogen-bonded Turntrans-136.2-5.9-175.8-66.4-173.3700114.6S123S123-Q125 PolarHBondContact O-N 3.38Å
126Q63.7Low75.7Confident59 Ų5964 Ų6428%0.27637%0.373SS..SBendtrans-120.6158.5-168.1-67.51776.700112
127K70.4Confident76.2Confident60 Ų6063.3 Ų63.326%0.26137%0.367SS..  trans-67.5137.6176.1-64.7-77.8-173.2170.90109.6S32 Y60 Q120 F129S32-K127 PolarHBondContact O-NZ 3.16Å; Y60-K127 HydrophobicContact CE1-CB 4.46Å; Q120-K127 PolarHBondContact OE1-O 3.08Å; Q120-K127 VanDerWaalsContact OE1-O 3.08Å; K127-F129 HydrophobicContact CB-CD1 4.1Å; K127-F129 HydrophobicContact CB-CE1 3.74Å; K127-F129 HydrophobicContact CB-CZ 4.11Å; K127-F129 HydrophobicContact CD-CE1 4.24Å; K127-F129 HydrophobicContact CG-CE1 4.21Å; K127-F129 HydrophobicContact CG-CZ 4.39Å; K127-F129 PolarHBondContact O-N 3.16Å
128D77.5Confident76.6Confident134 Ų13459.5 Ų59.572%0.71734%0.34SS*.SBendtrans-66.56.2-173.8-56.2-38.6000116.5
129F85.6Confident77.2Confident12 Ų1260.7 Ų60.75%0.05334%0.34CS..  trans-127.2152.1-175.663.4-96.3000112F35 L59 Y60 K127 V131 T158 R160F35-F129 HydrophobicContact CB-CE1 4.05Å; F35-F129 HydrophobicContact CB-CE2 4.4Å; F35-F129 HydrophobicContact CB-CZ 3.55Å; F35-F129 AromaticContact CD1-CE2 3.86Å; F35-F129 HydrophobicContact CD1-CE2 3.86Å; F35-F129 AromaticContact CD1-CZ 3.85Å; F35-F129 HydrophobicContact CD1-CZ 3.85Å; F35-F129 HydrophobicContact CG-CE2 4.42Å; F35-F129 AromaticContact CG-CZ 3.95Å; F35-F129 HydrophobicContact CG-CZ 3.95Å; L59-F129 HydrophobicContact CD2-CZ 4.37Å; Y60-F129 WeakPolarHBondContact OH-CD2 3.38Å; Y60-F129 WeakPolarHBondContact OH-CE2 3.22Å; Y60-F129 PolarHBondContact OH-O 2.93Å; K127-F129 HydrophobicContact CB-CD1 4.1Å; K127-F129 HydrophobicContact CB-CE1 3.74Å; K127-F129 HydrophobicContact CB-CZ 4.11Å; K127-F129 HydrophobicContact CD-CE1 4.24Å; K127-F129 HydrophobicContact CG-CE1 4.21Å; K127-F129 HydrophobicContact CG-CZ 4.39Å; K127-F129 PolarHBondContact O-N 3.16Å; F129-V131 HydrophobicContact CD2-CG2 4.06Å; F129-V131 HydrophobicContact CE2-CG2 3.79Å; F129-T158 WeakPolarHBondContact CA-O 3.45Å; F129-R160 HydrophobicContact CB-CG 4.13Å; F129-R160 HydrophobicContact CD1-CG 4.2Å; F129-R160 HydrophobicContact CD2-CB 3.73Å; F129-R160 HydrophobicContact CD2-CG 3.26Å; F129-R160 HydrophobicContact CE1-CG 4.48Å; F129-R160 HydrophobicContact CE2-CB 3.97Å; F129-R160 HydrophobicContact CE2-CG 3.62Å; F129-R160 HydrophobicContact CG-CB 4.5Å; F129-R160 HydrophobicContact CG-CG 3.6Å; F129-R160 HydrophobicContact CZ-CG 4.23Å
130K87.8Confident78.5Confident21 Ų2157.2 Ų57.29%0.09131%0.31CS..EExtended strand (participates in β ladder)trans-94.9154.4169.1-71.2-179173175.60111.1M115 T118 Q120 T158 C159 R160M115-K130 HydrophobicContact CE-CD 3.99Å; T118-K130 VanDerWaalsContact CB-NZ 3.35Å; T118-K130 VanDerWaalsContact O-CE 3.27Å; T118-K130 WeakPolarHBondContact O-CE 3.33Å; T118-K130 PolarHBondContact O-NZ 3.01Å; Q120-K130 HydrophobicContact CG-CG 4.08Å; K130-T158 PolarHBondContact N-O 2.86Å; K130-C159 CarbonylContact O-C 3.57Å; K130-C159 WeakPolarHBondContact O-CA 3.24Å; K130-R160 PolarHBondContact O-N 3.42Å
131V91.5Very high79.7Confident0 Ų057.8 Ų57.80%032%0.317CS..EExtended strand (participates in β ladder)trans-111.2129.3176.6174.50000110.9L56 L59 Y60 F91 H92 L93 F129 V133 R160 I162L56-V131 HydrophobicContact CD2-CB 3.83Å; L56-V131 HydrophobicContact CD2-CG1 3.69Å; L56-V131 HydrophobicContact CD2-CG2 4.25Å; L59-V131 HydrophobicContact CD1-CG2 4.46Å; Y60-V131 HydrophobicContact CE2-CB 4.41Å; Y60-V131 HydrophobicContact CE2-CG2 3.99Å; Y60-V131 WeakPolarHBondContact OH-CG2 3.11Å; F91-V131 PolarHBondContact O-N 2.83Å; F91-V131 VanDerWaalsContact O-N 3.13Å; H92-V131 CarbonylContact C-O 3.57Å; H92-V131 WeakPolarHBondContact CA-O 3.35Å; H92-V131 HydrophobicContact CB-CB 4.24Å; H92-V131 WeakPolarHBondContact CB-O 3.37Å; L93-V131 PolarHBondContact N-O 3.23Å; F129-V131 HydrophobicContact CD2-CG2 4.06Å; F129-V131 HydrophobicContact CE2-CG2 3.79Å; V131-V133 HydrophobicContact CG1-CG2 4.14Å; V131-R160 CarbonylContact C-O 3.52Å; V131-R160 VanDerWaalsContact CA-O 3.31Å; V131-R160 WeakPolarHBondContact CA-O 3.46Å; V131-R160 HydrophobicContact CG2-CB 4.24Å; V131-I162 HydrophobicContact CG1-CB 4.46Å; V131-I162 HydrophobicContact CG1-CD1 3.73Å; V131-I162 HydrophobicContact CG1-CG1 3.77Å
132V92.5Very high81.1Confident0 Ų058.9 Ų58.90%031%0.308CS..EExtended strand (participates in β ladder)trans-105.1125.3167.1179.30000108.8L93 L111 M115 L134 R160 L161 I162L93-V132 HydrophobicContact CB-CG2 4.43Å; L93-V132 CarbonylContact O-C 3.57Å; L93-V132 WeakPolarHBondContact O-CA 3.3Å; L111-V132 HydrophobicContact CD2-CG1 4.14Å; M115-V132 HydrophobicContact CB-CG2 4.4Å; M115-V132 HydrophobicContact CG-CG2 4.34Å; V132-L134 HydrophobicContact CG1-CD2 4.1Å; V132-L134 HydrophobicContact CG1-CG 4.38Å; V132-R160 PolarHBondContact N-O 3.11Å; V132-L161 HydrophobicContact CB-CD2 3.61Å; V132-L161 HydrophobicContact CG1-CD2 4.34Å; V132-L161 HydrophobicContact CG2-CD2 4.29Å; V132-L161 WeakPolarHBondContact O-CA 3.49Å; V132-I162 PolarHBondContact O-N 3.26Å
133V94.7Very high82.7Confident0 Ų057.8 Ų57.80%030%0.303CS..EExtended strand (participates in β ladder)trans-99.9116176.3-176.10000108.5I52 L56 L93 E94 V95 V131 I162I52-V133 HydrophobicContact CD1-CG1 4.46Å; I52-V133 HydrophobicContact CG2-CG1 3.85Å; I52-V133 HydrophobicContact CG2-CG2 3.87Å; L56-V133 HydrophobicContact CD1-CG2 3.93Å; L93-V133 PolarHBondContact O-N 3.45Å; E94-V133 WeakPolarHBondContact CA-O 3.36Å; E94-V133 HydrophobicContact CG-CB 4.21Å; V95-V133 PolarHBondContact N-O 3.35Å; V131-V133 HydrophobicContact CG1-CG2 4.14Å; V133-I162 WeakPolarHBondContact CA-O 3.49Å; V133-I162 HydrophobicContact CG2-CB 4.37Å
134L93Very high84.3Confident1 Ų153.4 Ų53.41%0.00527%0.272CS..EExtended strand (participates in β ladder)trans-101.6109.1172.5-62.7-179.8000108.3V95 I108 V132 L140 L148 I162 L163 S164V95-L134 HydrophobicContact CB-CD2 3.83Å; V95-L134 HydrophobicContact CG2-CD2 4.3Å; I108-L134 HydrophobicContact CD1-CD1 4.45Å; I108-L134 HydrophobicContact CD1-CD2 3.87Å; V132-L134 HydrophobicContact CG1-CD2 4.1Å; V132-L134 HydrophobicContact CG1-CG 4.38Å; L134-L140 HydrophobicContact CD1-CD1 4.49Å; L134-L148 HydrophobicContact CD1-CD1 3.83Å; L134-L148 HydrophobicContact CD1-CD2 3.92Å; L134-I162 PolarHBondContact N-O 2.91Å; L134-L163 HydrophobicContact CB-CD2 3.77Å; L134-L163 HydrophobicContact CD1-CD2 3.64Å; L134-L163 HydrophobicContact CG-CD2 4.01Å; L134-S164 PolarHBondContact O-N 3.36Å
135H92.4Very high86Confident22 Ų2250 Ų5010%0.10224%0.235CC..SBendtrans-73.1160.2169.6-69-59000110.5R49 E94 V95 P97 A137R49-H135 PolarHBondContact NH1-CD2 3.17Å; R49-H135 PolarHBondContact NH1-NE2 3.43Å; E94-H135 IonicContact OE1-NE2 3Å; E94-H135 IonicContact OE2-NE2 3.75Å; V95-H135 PolarHBondContact O-N 3.49Å; P97-H135 WeakPolarHBondContact CD-O 3.29Å; P97-H135 WeakPolarHBondContact CG-O 3.36Å; H135-A137 PolarHBondContact O-N 3.49Å
136E90.5Very high87.6Confident73 Ų7344.3 Ų44.334%0.34121%0.209SC..SBendtrans4244174.7-60.1174.7177.800115N96 P97 S98 D138 H139 S164N96-E136 PolarHBondContact ND2-OE2 2.9Å; N96-E136 VanDerWaalsContact ND2-OE2 3.12Å; N96-E136 PolarHBondContact OD1-OE2 3.33Å; P97-E136 VanDerWaalsContact CG-O 3.31Å; P97-E136 WeakPolarHBondContact CG-O 3.27Å; S98-E136 PolarHBondContact OG-OE2 2.93Å; E136-D138 VanDerWaalsContact C-OD1 3.31Å; E136-D138 PolarHBondContact O-N 2.95Å; E136-H139 PolarHBondContact O-N 2.86Å; E136-H139 IonicContact OE2-CD2 2.97Å; E136-S164 CarbonylContact C-O 3.56Å; E136-S164 WeakPolarHBondContact CA-O 3.39Å; E136-S164 PolarHBondContact N-O 2.9Å
137A91.4Very high88.8Confident1 Ų141.5 Ų41.51%0.00820%0.196CC..G310 helixtrans-62.6-13-174.200000113.1H135 H139 L140 L163 S164 I171H135-A137 PolarHBondContact O-N 3.49Å; A137-H139 VanDerWaalsContact C-N 3.3Å; A137-L140 HydrophobicContact CB-CD1 4.38Å; A137-L140 WeakPolarHBondContact O-CB 3.41Å; A137-L140 PolarHBondContact O-N 2.82Å; A137-L163 HydrophobicContact CB-CB 4.15Å; A137-S164 PolarHBondContact N-O 2.76Å; A137-I171 HydrophobicContact CB-CD1 4.19Å; A137-I171 WeakPolarHBondContact O-CD1 3.43Å
138D88.6Confident89.8Confident12 Ų1238.8 Ų38.86%0.06418%0.184CC..G310 helixtrans-76.2-12.9173.157.4-50.8000114.3E136 A165 K170 I171E136-D138 VanDerWaalsContact C-OD1 3.31Å; E136-D138 PolarHBondContact O-N 2.95Å; D138-A165 HydrophobicContact CB-CB 4.23Å; D138-K170 HydrophobicContact CB-CB 3.92Å; D138-K170 HydrophobicContact CB-CD 3.94Å; D138-I171 HydrophobicContact CB-CD1 4.5Å
139H88.7Confident90.4Very high102 Ų10236.6 Ų36.647%0.47217%0.166SC..G310 helixtrans-86.2-8.4169.8-67.5-48000113.6S98 E136 A137S98-H139 PolarHBondContact OG-CD2 2.77Å; E136-H139 PolarHBondContact O-N 2.86Å; E136-H139 IonicContact OE2-CD2 2.97Å; A137-H139 VanDerWaalsContact C-N 3.3Å
140L89.5Confident90.6Very high8 Ų841.9 Ų41.94%0.04219%0.185CC..SBendtrans-67.2136.7173.4-73169.8000111.8P97 D104 I108 L134 A137 A144 Q145 L148P97-L140 HydrophobicContact CB-CD2 3.37Å; P97-L140 HydrophobicContact CB-CG 3.71Å; P97-L140 HydrophobicContact CG-CD2 4.26Å; P97-L140 HydrophobicContact CG-CG 4.06Å; D104-L140 HydrophobicContact CB-CD2 4.01Å; I108-L140 HydrophobicContact CD1-CD2 4.49Å; I108-L140 HydrophobicContact CG1-CD2 4.1Å; L134-L140 HydrophobicContact CD1-CD1 4.49Å; A137-L140 HydrophobicContact CB-CD1 4.38Å; A137-L140 WeakPolarHBondContact O-CB 3.41Å; A137-L140 PolarHBondContact O-N 2.82Å; L140-A144 HydrophobicContact CB-CB 4.48Å; L140-A144 HydrophobicContact CD2-CB 4.11Å; L140-Q145 HydrophobicContact CB-CG 3.81Å; L140-Q145 PolarHBondContact O-NE2 2.93Å; L140-L148 HydrophobicContact CD1-CD2 4.38Å
141T89.5Confident90.7Very high53 Ų5341.3 Ų41.333%0.32518%0.184SC..  trans-60.8153.3172.266.30000111.1D104 D143 A144 Q145D104-T141 VanDerWaalsContact CG-OG1 3.29Å; D104-T141 PolarHBondContact OD1-OG1 3.08Å; D104-T141 WeakPolarHBondContact OD2-CB 3.32Å; D104-T141 VanDerWaalsContact OD2-CG2 3.3Å; D104-T141 WeakPolarHBondContact OD2-CG2 3.14Å; D104-T141 PolarHBondContact OD2-N 2.89Å; D104-T141 PolarHBondContact OD2-OG1 3.26Å; T141-D143 PolarHBondContact O-N 3.06Å; T141-A144 PolarHBondContact O-N 3.15Å; T141-A144 VanDerWaalsContact O-N 3.11Å; T141-A144 VanDerWaalsContact OG1-CB 3.29Å; T141-A144 WeakPolarHBondContact OG1-CB 3.28Å; T141-A144 PolarHBondContact OG1-N 3.35Å; T141-A144 VanDerWaalsContact OG1-N 3.16Å; T141-Q145 WeakPolarHBondContact O-CG 3.49Å; T141-Q145 PolarHBondContact O-N 2.97Å
142R88.6Confident90.6Very high196 Ų19641.6 Ų41.674%0.7419%0.185SC*.Hα-helixtrans-56-39.8177.4-71.5-176175.4176.4-0.2111.7Q145 H146 I172R142-Q145 PolarHBondContact O-N 3.34Å; R142-H146 PolarHBondContact O-CD2 3.01Å; R142-H146 PolarHBondContact O-N 3.05Å; R142-I172 HydrophobicContact CG-CG2 4.49Å
143D90.2Very high90.4Very high96 Ų9646 Ų4651%0.51321%0.206SC..Hα-helixtrans-65.2-40.8177.9-793.2000112.6T141 H146 A147T141-D143 PolarHBondContact O-N 3.06Å; D143-H146 PolarHBondContact O-N 3.44Å; D143-A147 WeakPolarHBondContact O-CB 3.46Å; D143-A147 PolarHBondContact O-N 3.48Å
144A89.7Confident90.2Very high1 Ų152.9 Ų52.91%0.00824%0.236CC..Hα-helixtrans-66.1-38.517300000112D104 R105 L140 T141 H146 A147 L148D104-A144 HydrophobicContact CB-CB 4.11Å; D104-A144 WeakPolarHBondContact OD1-CB 3.21Å; D104-A144 WeakPolarHBondContact OD2-CB 3.39Å; R105-A144 HydrophobicContact CB-CB 4.14Å; L140-A144 HydrophobicContact CB-CB 4.48Å; L140-A144 HydrophobicContact CD2-CB 4.11Å; T141-A144 PolarHBondContact O-N 3.15Å; T141-A144 VanDerWaalsContact O-N 3.11Å; T141-A144 VanDerWaalsContact OG1-CB 3.29Å; T141-A144 WeakPolarHBondContact OG1-CB 3.28Å; T141-A144 PolarHBondContact OG1-N 3.35Å; T141-A144 VanDerWaalsContact OG1-N 3.16Å; A144-H146 PolarHBondContact O-N 3.38Å; A144-A147 WeakPolarHBondContact O-CB 3.42Å; A144-A147 PolarHBondContact O-N 3.33Å; A144-L148 WeakPolarHBondContact O-CB 3.29Å; A144-L148 PolarHBondContact O-N 2.98Å
145Q92.2Very high90Very high4 Ų455 Ų552%0.01924%0.244CC..Hα-helixtrans-65.3-38.2174.1-65.1-176.141.500112.2L140 T141 R142 A147 L148 R149 K170 I172 T175L140-Q145 HydrophobicContact CB-CG 3.81Å; L140-Q145 PolarHBondContact O-NE2 2.93Å; T141-Q145 WeakPolarHBondContact O-CG 3.49Å; T141-Q145 PolarHBondContact O-N 2.97Å; R142-Q145 PolarHBondContact O-N 3.34Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; Q145-L148 WeakPolarHBondContact O-CB 3.36Å; Q145-L148 PolarHBondContact O-N 3.2Å; Q145-R149 PolarHBondContact O-N 3.49Å; Q145-K170 PolarHBondContact NE2-O 3.4Å; Q145-I172 HydrophobicContact CB-CD1 3.81Å; Q145-I172 HydrophobicContact CB-CG1 3.97Å; Q145-I172 HydrophobicContact CB-CG2 4.44Å; Q145-T175 HydrophobicContact CB-CG2 4.36Å; Q145-T175 VanDerWaalsContact O-CG2 3.32Å; Q145-T175 WeakPolarHBondContact O-CG2 3.49Å
146H90.7Very high89.8Confident76 Ų7657.2 Ų57.235%0.35226%0.256SS..Hα-helixtrans-65.5-37.5172.8-80.3-66.8000112.4R142 D143 A144 R150R142-H146 PolarHBondContact O-CD2 3.01Å; R142-H146 PolarHBondContact O-N 3.05Å; D143-H146 PolarHBondContact O-N 3.44Å; A144-H146 PolarHBondContact O-N 3.38Å; H146-R150 PolarHBondContact O-N 3.12Å
147A89.6Confident89.5Confident0 Ų057.8 Ų57.80%027%0.268CS..Hα-helixtrans-63.7-46171.900000112.1R105 Q109 D143 A144 Q145 R149 R150 T151R105-A147 HydrophobicContact CG-CB 3.99Å; Q109-A147 HydrophobicContact CG-CB 3.81Å; D143-A147 WeakPolarHBondContact O-CB 3.46Å; D143-A147 PolarHBondContact O-N 3.48Å; A144-A147 WeakPolarHBondContact O-CB 3.42Å; A144-A147 PolarHBondContact O-N 3.33Å; Q145-A147 VanDerWaalsContact C-N 3.34Å; A147-R149 VanDerWaalsContact C-N 3.3Å; A147-R149 PolarHBondContact O-N 2.9Å; A147-R150 PolarHBondContact O-N 3.36Å; A147-R150 VanDerWaalsContact O-N 3.09Å; A147-T151 PolarHBondContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 2.73Å
148L90.9Very high89.3Confident2 Ų260.3 Ų60.31%0.0128%0.283CS..Hα-helixtrans-56.5-44.4177.1-174.265.2000111.2I108 I112 L134 L140 A144 Q145 R150 T151 M152 L161 L163I108-L148 HydrophobicContact CG2-CD1 3.82Å; I112-L148 HydrophobicContact CD1-CD1 3.43Å; I112-L148 VanDerWaalsContact CD1-CD1 3.43Å; L134-L148 HydrophobicContact CD1-CD1 3.83Å; L134-L148 HydrophobicContact CD1-CD2 3.92Å; L140-L148 HydrophobicContact CD1-CD2 4.38Å; A144-L148 WeakPolarHBondContact O-CB 3.29Å; A144-L148 PolarHBondContact O-N 2.98Å; Q145-L148 WeakPolarHBondContact O-CB 3.36Å; Q145-L148 PolarHBondContact O-N 3.2Å; L148-R150 VanDerWaalsContact C-N 3.34Å; L148-R150 PolarHBondContact O-N 3.26Å; L148-T151 VanDerWaalsContact CA-OG1 3.29Å; L148-T151 WeakPolarHBondContact CA-OG1 3.41Å; L148-T151 PolarHBondContact O-N 3.09Å; L148-T151 PolarHBondContact O-OG1 3.02Å; L148-M152 HydrophobicContact CG-SD 4.2Å; L148-M152 WeakPolarHBondContact O-CG 3.28Å; L148-M152 PolarHBondContact O-N 3.04Å; L148-L161 HydrophobicContact CD1-CD1 3.57Å; L148-L161 HydrophobicContact CG-CD1 4.16Å; L148-L163 HydrophobicContact CD2-CD1 4.09Å; L148-L163 HydrophobicContact CD2-CD2 4.01Å
149R90.7Very high89.3Confident88 Ų8859.9 Ų59.933%0.33228%0.281SS..Hα-helixtrans-54.5-47.3174.6178.7-143.5164.2155.5-8.4112Q145 A147 M152 E153 A174 T175Q145-R149 PolarHBondContact O-N 3.49Å; A147-R149 VanDerWaalsContact C-N 3.3Å; A147-R149 PolarHBondContact O-N 2.9Å; R149-M152 PolarHBondContact O-N 3.02Å; R149-E153 IonicContact CZ-OE1 2.69Å; R149-E153 IonicContact NE-OE1 3.21Å; R149-E153 PolarHBondContact NE-OE1 3.4Å; R149-E153 IonicContact NH2-OE1 2.62Å; R149-E153 PolarHBondContact O-N 3.32Å; R149-A174 HydrophobicContact CG-CB 4.14Å; R149-T175 HydrophobicContact CB-CG2 4.1Å
150R89.6Confident89.5Confident123 Ų12356.5 Ų56.546%0.46426%0.264SS..Hα-helixtrans-65.5-39.6179.2-67.8-169.9-63.1-97-3.3111.9H146 A147 L148 E153 K154H146-R150 PolarHBondContact O-N 3.12Å; A147-R150 PolarHBondContact O-N 3.36Å; A147-R150 VanDerWaalsContact O-N 3.09Å; L148-R150 VanDerWaalsContact C-N 3.34Å; L148-R150 PolarHBondContact O-N 3.26Å; R150-E153 PolarHBondContact O-N 3.45Å; R150-K154 PolarHBondContact O-N 3.44Å; R150-K154 VanDerWaalsContact O-N 3.1Å
151T89.3Confident89.7Confident10 Ų1056.2 Ų56.26%0.06126%0.263CS..Hα-helixtrans-68.7-34.9178.149.30000112.4Q109 A147 L148 K154 Y155Q109-T151 HydrophobicContact CG-CG2 4.12Å; A147-T151 PolarHBondContact O-N 3.13Å; A147-T151 PolarHBondContact O-OG1 2.73Å; L148-T151 VanDerWaalsContact CA-OG1 3.29Å; L148-T151 WeakPolarHBondContact CA-OG1 3.41Å; L148-T151 PolarHBondContact O-N 3.09Å; L148-T151 PolarHBondContact O-OG1 3.02Å; T151-K154 PolarHBondContact O-N 3.27Å; T151-Y155 WeakPolarHBondContact O-CD2 3.32Å; T151-Y155 PolarHBondContact O-N 3.38Å
152M90.5Very high90Very high6 Ų653.7 Ų53.73%0.0325%0.247CC..Hα-helixtrans-61.4-44.1173.6-71.7169.579.300111.8H37 L148 R149 I156 L161 R178 C179H37-M152 HydrophobicContact CB-CE 3.68Å; H37-M152 VanDerWaalsContact CD2-CE 3.49Å; H37-M152 WeakPolarHBondContact CD2-CE 3.49Å; H37-M152 VanDerWaalsContact CG-CE 3.44Å; L148-M152 HydrophobicContact CG-SD 4.2Å; L148-M152 WeakPolarHBondContact O-CG 3.28Å; L148-M152 PolarHBondContact O-N 3.04Å; R149-M152 PolarHBondContact O-N 3.02Å; M152-I156 WeakPolarHBondContact O-CB 3.49Å; M152-I156 PolarHBondContact O-N 2.78Å; M152-L161 HydrophobicContact CE-CD1 4.39Å; M152-L161 HydrophobicContact CG-CD1 3.28Å; M152-L161 HydrophobicContact CG-CG 4.17Å; M152-L161 HydrophobicContact SD-CD1 3.89Å; M152-R178 HydrophobicContact CE-CB 3.7Å; M152-C179 WeakPolarHBondContact CE-SG 3.4Å
153E88.6Confident90.3Very high92 Ų9244.5 Ų44.543%0.4321%0.213SC..Hα-helixtrans-64.7-44.9177.5-70.3167.2-16000111.9R149 R150 R178R149-E153 IonicContact CZ-OE1 2.69Å; R149-E153 IonicContact NE-OE1 3.21Å; R149-E153 PolarHBondContact NE-OE1 3.4Å; R149-E153 IonicContact NH2-OE1 2.62Å; R149-E153 PolarHBondContact O-N 3.32Å; R150-E153 PolarHBondContact O-N 3.45Å; E153-R178 IonicContact OE1-CZ 3.4Å; E153-R178 IonicContact OE1-NE 3.98Å; E153-R178 PolarHBondContact OE1-NE 3.37Å; E153-R178 IonicContact OE1-NH2 3.61Å; E153-R178 PolarHBondContact OE1-NH2 3.38Å
154K89.9Confident90.5Very high145 Ų14540.4 Ų40.463%0.6319%0.192SC*.Hα-helixtrans-69.4-37.5-175.6-174.4175.2179-1750113.1R150 T151R150-K154 PolarHBondContact O-N 3.44Å; R150-K154 VanDerWaalsContact O-N 3.1Å; T151-K154 PolarHBondContact O-N 3.27Å
155Y88.8Confident90.7Very high45 Ų4540.4 Ų40.418%0.17619%0.192CC..THydrogen-bonded Turntrans-114.323-171-58.5-62.4000113.8I112 K113 A116 T151 S157 T158 C159I112-Y155 HydrophobicContact CG2-CD2 4.09Å; K113-Y155 HydrophobicContact CG-CE2 3.95Å; A116-Y155 HydrophobicContact CB-CD1 3.63Å; A116-Y155 HydrophobicContact CB-CD2 4.25Å; A116-Y155 HydrophobicContact CB-CE1 4.07Å; A116-Y155 HydrophobicContact CB-CG 3.75Å; T151-Y155 WeakPolarHBondContact O-CD2 3.32Å; T151-Y155 PolarHBondContact O-N 3.38Å; Y155-S157 PolarHBondContact O-N 2.99Å; Y155-T158 PolarHBondContact O-N 2.98Å; Y155-T158 PolarHBondContact O-OG1 3.15Å; Y155-C159 PolarHBondContact O-N 3.07Å; Y155-C159 VanDerWaalsContact O-O 3.14Å
156I88Confident90.7Very high68 Ų6844.8 Ų44.835%0.34921%0.212SC..THydrogen-bonded Turntrans-55.6-32.7179.2-177.564.3000113.6H37 M152 R160H37-I156 WeakPolarHBondContact NE2-CD1 3.34Å; M152-I156 WeakPolarHBondContact O-CB 3.49Å; M152-I156 PolarHBondContact O-N 2.78Å; I156-R160 PolarHBondContact O-NE 3.49Å
157S84.7Confident90.5Very high86 Ų8643.5 Ų43.560%0.60121%0.212SC*.THydrogen-bonded Turntrans-73.5-36-178.652.40000112.9Y155Y155-S157 PolarHBondContact O-N 2.99Å
158T86.9Confident90.5Very high53 Ų5345.3 Ų45.333%0.32522%0.223SC..THydrogen-bonded Turntrans-101.7-27.5-174.458.90000113.2F129 K130 Y155F129-T158 WeakPolarHBondContact CA-O 3.45Å; K130-T158 PolarHBondContact N-O 2.86Å; Y155-T158 PolarHBondContact O-N 2.98Å; Y155-T158 PolarHBondContact O-OG1 3.15Å
159C88.8Confident90.5Very high4 Ų450.2 Ų50.23%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-132.4126.1-172.9-170.60000111.8H37 K130 Y155H37-C159 PolarHBondContact CE1-O 3.24Å; K130-C159 CarbonylContact O-C 3.57Å; K130-C159 WeakPolarHBondContact O-CA 3.24Å; Y155-C159 PolarHBondContact O-N 3.07Å; Y155-C159 VanDerWaalsContact O-O 3.14Å
160R92.2Very high90.3Very high30 Ų3051.8 Ų51.811%0.11327%0.267CS..EExtended strand (participates in β ladder)trans-104.4153.7167.6-58.1-62.7173.4126.40.7109.3N34 F35 F129 K130 V131 V132 I156N34-R160 PolarHBondContact OD1-NH1 2.94Å; N34-R160 PolarHBondContact OD1-NH2 3.41Å; F35-R160 HydrophobicContact CD1-CB 4.2Å; F35-R160 HydrophobicContact CD1-CG 4.29Å; F35-R160 HydrophobicContact CE1-CB 4.49Å; F35-R160 VanDerWaalsContact O-CD 3.27Å; F35-R160 WeakPolarHBondContact O-CD 3.33Å; F35-R160 VanDerWaalsContact O-CZ 3.26Å; F35-R160 PolarHBondContact O-NE 3.44Å; F35-R160 PolarHBondContact O-NH1 3.4Å; F129-R160 HydrophobicContact CB-CG 4.13Å; F129-R160 HydrophobicContact CD1-CG 4.2Å; F129-R160 HydrophobicContact CD2-CB 3.73Å; F129-R160 HydrophobicContact CD2-CG 3.26Å; F129-R160 HydrophobicContact CE1-CG 4.48Å; F129-R160 HydrophobicContact CE2-CB 3.97Å; F129-R160 HydrophobicContact CE2-CG 3.62Å; F129-R160 HydrophobicContact CG-CB 4.5Å; F129-R160 HydrophobicContact CG-CG 3.6Å; F129-R160 HydrophobicContact CZ-CG 4.23Å; K130-R160 PolarHBondContact O-N 3.42Å; V131-R160 CarbonylContact C-O 3.52Å; V131-R160 VanDerWaalsContact CA-O 3.31Å; V131-R160 WeakPolarHBondContact CA-O 3.46Å; V131-R160 HydrophobicContact CG2-CB 4.24Å; V132-R160 PolarHBondContact N-O 3.11Å; I156-R160 PolarHBondContact O-NE 3.49Å
161L93.8Very high90.4Very high3 Ų346.4 Ų46.42%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-125.4139-174.6-61-170.9000109.5H37 L38 I112 V132 L148 M152 L163H37-L161 CarbonylContact C-O 3.57Å; H37-L161 VanDerWaalsContact CA-O 3.27Å; H37-L161 WeakPolarHBondContact CA-O 3.37Å; H37-L161 WeakPolarHBondContact ND1-CB 3.38Å; H37-L161 PolarHBondContact ND1-N 3.42Å; L38-L161 PolarHBondContact N-O 2.6Å; I112-L161 HydrophobicContact CD1-CD1 4.49Å; I112-L161 HydrophobicContact CD1-CD2 4.49Å; V132-L161 HydrophobicContact CB-CD2 3.61Å; V132-L161 HydrophobicContact CG1-CD2 4.34Å; V132-L161 HydrophobicContact CG2-CD2 4.29Å; V132-L161 WeakPolarHBondContact O-CA 3.49Å; L148-L161 HydrophobicContact CD1-CD1 3.57Å; L148-L161 HydrophobicContact CG-CD1 4.16Å; M152-L161 HydrophobicContact CE-CD1 4.39Å; M152-L161 HydrophobicContact CG-CD1 3.28Å; M152-L161 HydrophobicContact CG-CG 4.17Å; M152-L161 HydrophobicContact SD-CD1 3.89Å; L161-L163 HydrophobicContact CB-CD2 4.42Å
162I95.6Very high90.6Very high0 Ų047.1 Ų47.10%025%0.25CC..EExtended strand (participates in β ladder)trans-121.3112.1169.5-58.3-179.9000107.6F35 L38 V40 I52 I55 L56 V131 V132 V133 L134F35-I162 HydrophobicContact CE1-CD1 4.43Å; F35-I162 HydrophobicContact CZ-CD1 4.19Å; L38-I162 HydrophobicContact CB-CG1 4.19Å; L38-I162 HydrophobicContact CB-CG2 4.23Å; L38-I162 HydrophobicContact CD1-CD1 4.31Å; L38-I162 HydrophobicContact CD1-CG1 4.35Å; L38-I162 HydrophobicContact CG-CG1 4.39Å; L38-I162 CarbonylContact O-C 2.91Å; L38-I162 WeakPolarHBondContact O-CA 3.39Å; V40-I162 HydrophobicContact CG2-CG2 4.19Å; I52-I162 HydrophobicContact CB-CG2 4.43Å; I52-I162 HydrophobicContact CD1-CG2 3.82Å; I52-I162 HydrophobicContact CG1-CG2 3.74Å; I52-I162 HydrophobicContact CG2-CD1 4.25Å; I52-I162 HydrophobicContact CG2-CG2 3.89Å; I55-I162 HydrophobicContact CG2-CD1 4.25Å; L56-I162 HydrophobicContact CD2-CD1 4.42Å; V131-I162 HydrophobicContact CG1-CB 4.46Å; V131-I162 HydrophobicContact CG1-CD1 3.73Å; V131-I162 HydrophobicContact CG1-CG1 3.77Å; V132-I162 PolarHBondContact O-N 3.26Å; V133-I162 WeakPolarHBondContact CA-O 3.49Å; V133-I162 HydrophobicContact CG2-CB 4.37Å; L134-I162 PolarHBondContact N-O 2.91Å
163L95.2Very high90.6Very high3 Ų350.8 Ų50.82%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-97.2130.2179.2-50.9-175.6000109.1L38 L39 V40 L134 A137 L148 L161L38-L163 PolarHBondContact O-N 3.48Å; L39-L163 CarbonylContact C-O 3.58Å; L39-L163 WeakPolarHBondContact CA-O 3.43Å; L39-L163 HydrophobicContact CD1-CB 3.78Å; V40-L163 PolarHBondContact N-O 3.47Å; L134-L163 HydrophobicContact CB-CD2 3.77Å; L134-L163 HydrophobicContact CD1-CD2 3.64Å; L134-L163 HydrophobicContact CG-CD2 4.01Å; A137-L163 HydrophobicContact CB-CB 4.15Å; L148-L163 HydrophobicContact CD2-CD1 4.09Å; L148-L163 HydrophobicContact CD2-CD2 4.01Å; L161-L163 HydrophobicContact CB-CD2 4.42Å
164S94.7Very high90.7Very high10 Ų1047 Ų477%0.0726%0.261CS..EExtended strand (participates in β ladder)trans-108.8123.2171.4168.30000109.6V40 L134 E136 A137V40-S164 VanDerWaalsContact O-CA 3.29Å; V40-S164 WeakPolarHBondContact O-CA 3.32Å; L134-S164 PolarHBondContact O-N 3.36Å; E136-S164 CarbonylContact C-O 3.56Å; E136-S164 WeakPolarHBondContact CA-O 3.39Å; E136-S164 PolarHBondContact N-O 2.9Å; A137-S164 PolarHBondContact N-O 2.76Å
165A93.4Very high90.8Very high0 Ų040.2 Ų40.20%023%0.232CC..EExtended strand (participates in β ladder)trans-131157.3177.200000111.3L39 V40 Y41 G42 K48 D138 I171L39-A165 HydrophobicContact CD1-CB 4.36Å; V40-A165 PolarHBondContact O-N 3.44Å; Y41-A165 VanDerWaalsContact CA-O 3.28Å; Y41-A165 WeakPolarHBondContact CA-O 3.08Å; G42-A165 PolarHBondContact N-O 2.76Å; K48-A165 PolarHBondContact NZ-O 3.09Å; D138-A165 HydrophobicContact CB-CB 4.23Å; A165-I171 HydrophobicContact CB-CD1 4.39Å; A165-I171 HydrophobicContact CB-CG1 4.29Å
166E91.7Very high90.9Very high97 Ų9743.7 Ų43.745%0.45324%0.244SC..SBendtrans-80.7-43.8169.5-56.8-150.2140.200111.9G42 S44G42-E166 CarbonylContact C-O 3.52Å; G42-E166 PolarHBondContact N-O 2.91Å; G42-E166 WeakPolarHBondContact O-CA 3.41Å; S44-E166 WeakPolarHBondContact CB-OE1 3.43Å
167S88.2Confident91.1Very high49 Ų4945.3 Ų45.334%0.34326%0.262SS..  trans-128.3142.6-179.5-179.20000111.7S169S167-S169 VanDerWaalsContact C-N 3.28Å; S167-S169 PolarHBondContact OG-N 3.38Å; S167-S169 PolarHBondContact OG-OG 2.57Å
168T89.5Confident91.4Very high37 Ų3744.8 Ų44.823%0.22725%0.247CC..SBendtrans-77.5-15.3175.154.20000112.9Y41 K170 I171Y41-T168 HydrophobicContact CD1-CG2 3.65Å; Y41-T168 HydrophobicContact CD2-CG2 3.39Å; Y41-T168 HydrophobicContact CE1-CG2 3.86Å; Y41-T168 HydrophobicContact CE2-CG2 3.58Å; Y41-T168 HydrophobicContact CG-CG2 3.38Å; T168-K170 VanDerWaalsContact C-N 3.33Å; T168-K170 PolarHBondContact O-N 2.85Å; T168-I171 PolarHBondContact O-N 3.05Å
169S89.3Confident91.7Very high106 Ų10642.7 Ų42.774%0.74123%0.234SC*.THydrogen-bonded Turntrans-67.7-31.6-174.8-53.40000113.1S167 I171S167-S169 VanDerWaalsContact C-N 3.28Å; S167-S169 PolarHBondContact OG-N 3.38Å; S167-S169 PolarHBondContact OG-OG 2.57Å; S169-I171 VanDerWaalsContact C-N 3.32Å
170K87.1Confident92Very high121 Ų12146 Ų4653%0.52625%0.251SS..THydrogen-bonded Turntrans-80.6-13.4178.3-69.2-180176.3178.30113.2D138 Q145 T168D138-K170 HydrophobicContact CB-CB 3.92Å; D138-K170 HydrophobicContact CB-CD 3.94Å; Q145-K170 PolarHBondContact NE2-O 3.4Å; T168-K170 VanDerWaalsContact C-N 3.33Å; T168-K170 PolarHBondContact O-N 2.85Å
171I92.4Very high92.1Very high10 Ų1047.9 Ų47.95%0.05127%0.267CS..SBendtrans-88.5127.2-179.2-58.2-61.2000109.7L39 A137 D138 A165 T168 S169 T175 R176L39-I171 HydrophobicContact CD2-CG2 4.42Å; A137-I171 HydrophobicContact CB-CD1 4.19Å; A137-I171 WeakPolarHBondContact O-CD1 3.43Å; D138-I171 HydrophobicContact CB-CD1 4.5Å; A165-I171 HydrophobicContact CB-CD1 4.39Å; A165-I171 HydrophobicContact CB-CG1 4.29Å; T168-I171 PolarHBondContact O-N 3.05Å; S169-I171 VanDerWaalsContact C-N 3.32Å; I171-T175 WeakPolarHBondContact CG2-OG1 3.42Å; I171-R176 HydrophobicContact CG2-CB 4.48Å
172I93.2Very high92.1Very high24 Ų2448.4 Ų48.412%0.12327%0.269CS..  trans-62.2148.3179.665.4174.3000111.7R142 Q145 A174 T175 R176R142-I172 HydrophobicContact CG-CG2 4.49Å; Q145-I172 HydrophobicContact CB-CD1 3.81Å; Q145-I172 HydrophobicContact CB-CG1 3.97Å; Q145-I172 HydrophobicContact CB-CG2 4.44Å; I172-A174 HydrophobicContact CD1-CB 4.19Å; I172-A174 HydrophobicContact CG1-CB 4.42Å; I172-A174 PolarHBondContact O-N 3.44Å; I172-A174 VanDerWaalsContact O-N 3.12Å; I172-T175 HydrophobicContact CD1-CG2 4.08Å; I172-T175 HydrophobicContact CG1-CG2 3.86Å; I172-T175 VanDerWaalsContact CG1-OG1 3.26Å; I172-T175 WeakPolarHBondContact CG1-OG1 3.43Å; I172-T175 PolarHBondContact O-N 3Å; I172-T175 PolarHBondContact O-OG1 3.49Å; I172-R176 PolarHBondContact O-N 3.36Å; I172-R176 VanDerWaalsContact O-N 3.15Å
173S91.5Very high92Very high84 Ų8456.1 Ų56.159%0.58730%0.299SS*.Hα-helixtrans-56.6-32.6179.856.20000113R176 S177S173-R176 PolarHBondContact O-N 3.08Å; S173-S177 WeakPolarHBondContact O-CB 3.47Å; S173-S177 PolarHBondContact O-N 3.15Å
174A90.6Very high91.9Very high13 Ų1356 Ų5611%0.10730%0.298CS..Hα-helixtrans-70-37.8-17800000114R149 I172 R178R149-A174 HydrophobicContact CG-CB 4.14Å; I172-A174 HydrophobicContact CD1-CB 4.19Å; I172-A174 HydrophobicContact CG1-CB 4.42Å; I172-A174 PolarHBondContact O-N 3.44Å; I172-A174 VanDerWaalsContact O-N 3.12Å; A174-R178 PolarHBondContact O-NH1 3.27Å
175T91Very high91.8Very high2 Ų257.4 Ų57.41%0.01231%0.308CS..Hα-helixtrans-74.6-40.117446.80000110.3Q145 R149 I171 I172 S177 R178 C179Q145-T175 HydrophobicContact CB-CG2 4.36Å; Q145-T175 VanDerWaalsContact O-CG2 3.32Å; Q145-T175 WeakPolarHBondContact O-CG2 3.49Å; R149-T175 HydrophobicContact CB-CG2 4.1Å; I171-T175 WeakPolarHBondContact CG2-OG1 3.42Å; I172-T175 HydrophobicContact CD1-CG2 4.08Å; I172-T175 HydrophobicContact CG1-CG2 3.86Å; I172-T175 VanDerWaalsContact CG1-OG1 3.26Å; I172-T175 WeakPolarHBondContact CG1-OG1 3.43Å; I172-T175 PolarHBondContact O-N 3Å; I172-T175 PolarHBondContact O-OG1 3.49Å; T175-S177 VanDerWaalsContact C-N 3.31Å; T175-S177 PolarHBondContact O-N 3.19Å; T175-R178 PolarHBondContact O-N 3.46Å; T175-R178 VanDerWaalsContact O-N 3.08Å; T175-C179 PolarHBondContact O-N 3.49Å; T175-C179 PolarHBondContact O-SG 2.76Å; T175-C179 VanDerWaalsContact O-SG 3.33Å
176R91.9Very high91.8Very high118 Ų11858.9 Ų58.945%0.44532%0.32SS..Hα-helixtrans-57.7-40.8175-173.4174.665.8-166.51.9112.8L39 I171 I172 S173 R178 C179L39-R176 HydrophobicContact CD2-CG 4.32Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I172-R176 PolarHBondContact O-N 3.36Å; I172-R176 VanDerWaalsContact O-N 3.15Å; S173-R176 PolarHBondContact O-N 3.08Å; R176-R178 PolarHBondContact O-N 3.46Å; R176-C179 PolarHBondContact O-N 2.81Å
177S90.4Very high91.9Very high102 Ų10254.2 Ų54.271%0.71330%0.298SS*.THydrogen-bonded Turntrans-67-19.7178.3-179.20000114.1S173 T175S173-S177 WeakPolarHBondContact O-CB 3.47Å; S173-S177 PolarHBondContact O-N 3.15Å; T175-S177 VanDerWaalsContact C-N 3.31Å; T175-S177 PolarHBondContact O-N 3.19Å
178R91.1Very high92.2Very high75 Ų7554 Ų5428%0.28330%0.297SS..THydrogen-bonded Turntrans-96.6-15.2-178.6-74.5166.3-179.153.719113.1M152 E153 A174 T175 R176M152-R178 HydrophobicContact CE-CB 3.7Å; E153-R178 IonicContact OE1-CZ 3.4Å; E153-R178 IonicContact OE1-NE 3.98Å; E153-R178 PolarHBondContact OE1-NE 3.37Å; E153-R178 IonicContact OE1-NH2 3.61Å; E153-R178 PolarHBondContact OE1-NH2 3.38Å; A174-R178 PolarHBondContact O-NH1 3.27Å; T175-R178 PolarHBondContact O-N 3.46Å; T175-R178 VanDerWaalsContact O-N 3.08Å; R176-R178 PolarHBondContact O-N 3.46Å
179C93.8Very high92.5Very high8 Ų854.3 Ų54.35%0.05430%0.297CS..SBendtrans-104.7144.5178.3-55.80000109.5H37 L39 M152 T175 R176 P181H37-C179 HydrophobicContact CB-CB 4.46Å; H37-C179 CarbonylContact O-C 3.59Å; H37-C179 WeakPolarHBondContact O-CA 3.42Å; L39-C179 HydrophobicContact CB-CB 3.54Å; M152-C179 WeakPolarHBondContact CE-SG 3.4Å; T175-C179 PolarHBondContact O-N 3.49Å; T175-C179 PolarHBondContact O-SG 2.76Å; T175-C179 VanDerWaalsContact O-SG 3.33Å; R176-C179 PolarHBondContact O-N 2.81Å; C179-P181 WeakPolarHBondContact O-CD 3.35Å
180L94.4Very high92.8Very high75 Ų7554.6 Ų54.639%0.39329%0.29SS..EExtended strand (participates in β ladder)trans-74.3115.2164-179.467.3000108.7L29 P36 H37 L38 L39 I182L29-L180 HydrophobicContact CD1-CD2 4.41Å; L29-L180 HydrophobicContact CD2-CD2 3.64Å; P36-L180 HydrophobicContact CG-CB 4.25Å; P36-L180 HydrophobicContact CG-CD2 4.26Å; H37-L180 PolarHBondContact O-N 3.1Å; L38-L180 HydrophobicContact CD2-CB 3.98Å; L38-L180 HydrophobicContact CD2-CD2 4.12Å; L39-L180 PolarHBondContact N-O 3.23Å; L180-I182 PolarHBondContact O-N 2.84Å
181P94.5Very high93.1Very high68 Ų6851.6 Ų51.644%0.44228%0.278SS..EExtended strand (participates in β ladder)trans-73124.117928.2-33.9000111.3L39 Y41 C179L39-P181 CarbonylContact O-C 3.53Å; L39-P181 WeakPolarHBondContact O-CA 3.01Å; Y41-P181 HydrophobicContact CE1-CB 3.79Å; C179-P181 WeakPolarHBondContact O-CD 3.35Å
182I94.3Very high93.2Very high14 Ų1451.1 Ų51.17%0.07228%0.275CS..EExtended strand (participates in β ladder)trans-117.4105.8174.1-62.3158.3000108.3Q22 L26 L38 L39 V40 Y41 L180 V184Q22-I182 HydrophobicContact CG-CG2 4.49Å; L26-I182 HydrophobicContact CD2-CD1 3.46Å; L26-I182 VanDerWaalsContact CD2-CD1 3.46Å; L26-I182 HydrophobicContact CD2-CG1 4.16Å; L26-I182 HydrophobicContact CD2-CG2 4.44Å; L38-I182 HydrophobicContact CB-CD1 4.17Å; L38-I182 HydrophobicContact CD1-CD1 3.82Å; L38-I182 HydrophobicContact CD2-CD1 3.84Å; L38-I182 HydrophobicContact CG-CD1 4.16Å; L39-I182 PolarHBondContact O-N 2.9Å; V40-I182 WeakPolarHBondContact CA-O 3.2Å; V40-I182 HydrophobicContact CG2-CB 4.41Å; V40-I182 HydrophobicContact CG2-CD1 4.36Å; Y41-I182 PolarHBondContact N-O 2.61Å; L180-I182 PolarHBondContact O-N 2.84Å; I182-V184 HydrophobicContact CG2-CG2 4.25Å; I182-V184 PolarHBondContact O-N 3.22Å
183R93.9Very high93.4Very high162 Ų16250.5 Ų50.561%0.61127%0.273SS*.EExtended strand (participates in β ladder)trans-79.1118174-177.7178.9172.6151.22.2110.5Q22 Y41 S185Q22-R183 PolarHBondContact NE2-O 3.22Å; Y41-R183 HydrophobicContact CD2-CG 4.49Å; Y41-R183 HydrophobicContact CE1-CB 4.15Å; Y41-R183 HydrophobicContact CE2-CB 3.82Å; Y41-R183 HydrophobicContact CE2-CG 3.85Å; R183-S185 PolarHBondContact NE-OG 2.88Å
184V93.9Very high93.5Very high0 Ų052 Ų520%027%0.27CS..  trans-104.897.7171.6-175.30000108.1V40 Y41 G42 A46 K48 I182V40-V184 HydrophobicContact CG1-CG2 3.63Å; Y41-V184 PolarHBondContact O-N 2.85Å; G42-V184 WeakPolarHBondContact CA-O 3.44Å; A46-V184 HydrophobicContact CB-CG1 4.25Å; A46-V184 WeakPolarHBondContact O-CG1 3.43Å; K48-V184 HydrophobicContact CG-CB 4.16Å; I182-V184 HydrophobicContact CG2-CG2 4.25Å; I182-V184 PolarHBondContact O-N 3.22Å
185S92.5Very high93.7Very high40 Ų4051.9 Ų51.928%0.2827%0.268SS..PPolyproline II helixtrans-71.9148.3177.7-61.80000111H19 R183H19-S185 PolarHBondContact NE2-O 3.43Å; R183-S185 PolarHBondContact NE-OG 2.88Å
186A92.8Very high93.8Very high31 Ų3151.8 Ų51.826%0.25627%0.267SS..PPolyproline II helixtrans-54.8142.1169.400000110.5P43 R221P43-A186 HydrophobicContact CG-CB 3.67Å; A186-R221 HydrophobicContact CB-CB 4.05Å
187P93.9Very high93.9Very high0 Ų050.2 Ų50.20%026%0.261CS..PPolyproline II helixtrans-63152.3175.625.3-30.9000111Y18 E191 I192 L223Y18-P187 HydrophobicContact CD1-CB 4.33Å; Y18-P187 HydrophobicContact CD2-CB 3.95Å; Y18-P187 HydrophobicContact CE1-CB 4.38Å; Y18-P187 HydrophobicContact CE1-CG 4.49Å; Y18-P187 HydrophobicContact CE2-CB 4.02Å; Y18-P187 HydrophobicContact CE2-CG 4.33Å; Y18-P187 HydrophobicContact CG-CB 4.14Å; P187-E191 VanDerWaalsContact CA-OE2 3.31Å; P187-E191 WeakPolarHBondContact CA-OE2 3.4Å; P187-E191 HydrophobicContact CB-CB 4.21Å; P187-I192 HydrophobicContact CB-CG1 3.96Å; P187-I192 HydrophobicContact CG-CD1 4Å; P187-I192 HydrophobicContact CG-CG1 3.71Å; P187-L223 HydrophobicContact CG-CB 4.21Å
188S94.5Very high94Very high44 Ų4447.7 Ų47.731%0.30824%0.24SC..PPolyproline II helixtrans-69161.7173.881.70000110.8D190 E191 I192S188-D190 PolarHBondContact O-N 3.29Å; S188-D190 PolarHBondContact OG-N 2.69Å; S188-E191 PolarHBondContact N-OE2 3.4Å; S188-E191 PolarHBondContact O-N 2.53Å; S188-E191 WeakPolarHBondContact OG-CB 3.45Å; S188-E191 VanDerWaalsContact OG-CG 3.28Å; S188-E191 WeakPolarHBondContact OG-CG 3.4Å; S188-E191 PolarHBondContact OG-N 3.22Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.38Å; S188-I192 PolarHBondContact O-N 3Å
189I95Very high94.1Very high44 Ų4444.4 Ų44.423%0.22623%0.228CC..Hα-helixtrans-59.1-42.1176.6-65.5166.4000109.8I192 V193 A216 L217 R221I189-I192 PolarHBondContact O-N 3.13Å; I189-V193 VanDerWaalsContact O-CG2 3.26Å; I189-V193 WeakPolarHBondContact O-CG2 3.43Å; I189-V193 PolarHBondContact O-N 3.17Å; I189-A216 HydrophobicContact CG2-CB 3.85Å; I189-L217 HydrophobicContact CD1-CD2 3.69Å; I189-R221 HydrophobicContact CG1-CG 4.43Å
190D95.3Very high93.9Very high111 Ų11144 Ų4459%0.59423%0.225SC*.Hα-helixtrans-67.2-39.6179.1-58.6-45.5000112.4S188 I192 V193 E194S188-D190 PolarHBondContact O-N 3.29Å; S188-D190 PolarHBondContact OG-N 2.69Å; D190-I192 VanDerWaalsContact C-N 3.35Å; D190-I192 PolarHBondContact O-N 3.45Å; D190-V193 PolarHBondContact O-N 3.16Å; D190-E194 PolarHBondContact O-N 2.88Å
191E94.5Very high93.8Very high59 Ų5947.4 Ų47.428%0.27623%0.233SC..Hα-helixtrans-61.7-42.9174-74.7174.7153.900110.9P187 S188 E194 I195P187-E191 VanDerWaalsContact CA-OE2 3.31Å; P187-E191 WeakPolarHBondContact CA-OE2 3.4Å; P187-E191 HydrophobicContact CB-CB 4.21Å; S188-E191 PolarHBondContact N-OE2 3.4Å; S188-E191 PolarHBondContact O-N 2.53Å; S188-E191 WeakPolarHBondContact OG-CB 3.45Å; S188-E191 VanDerWaalsContact OG-CG 3.28Å; S188-E191 WeakPolarHBondContact OG-CG 3.4Å; S188-E191 PolarHBondContact OG-N 3.22Å; E191-E194 PolarHBondContact O-N 2.94Å; E191-I195 WeakPolarHBondContact O-CD1 3.31Å; E191-I195 WeakPolarHBondContact O-CG1 3.37Å; E191-I195 PolarHBondContact O-N 3.21Å
192I95.1Very high93.6Very high0 Ų051.5 Ų51.50%024%0.239CC..Hα-helixtrans-62.2-45.8175.8-65.2166.2000110.2P187 S188 I189 D190 E194 I195 L196 A216 R221 L223 A226P187-I192 HydrophobicContact CB-CG1 3.96Å; P187-I192 HydrophobicContact CG-CD1 4Å; P187-I192 HydrophobicContact CG-CG1 3.71Å; S188-I192 VanDerWaalsContact O-CG1 3.31Å; S188-I192 WeakPolarHBondContact O-CG1 3.38Å; S188-I192 PolarHBondContact O-N 3Å; I189-I192 PolarHBondContact O-N 3.13Å; D190-I192 VanDerWaalsContact C-N 3.35Å; D190-I192 PolarHBondContact O-N 3.45Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.09Å; I192-I195 PolarHBondContact O-N 3.34Å; I192-L196 HydrophobicContact CG2-CD1 3.84Å; I192-L196 HydrophobicContact CG2-CG 4.01Å; I192-L196 WeakPolarHBondContact O-CB 3.35Å; I192-L196 VanDerWaalsContact O-CG 3.26Å; I192-L196 WeakPolarHBondContact O-CG 3.45Å; I192-L196 PolarHBondContact O-N 3.49Å; I192-A216 HydrophobicContact CB-CB 4.07Å; I192-A216 HydrophobicContact CG2-CB 3.75Å; I192-R221 HydrophobicContact CD1-CB 4.13Å; I192-R221 HydrophobicContact CD1-CG 4.5Å; I192-L223 HydrophobicContact CG1-CD1 4.33Å; I192-L223 HydrophobicContact CG2-CD1 4.34Å; I192-A226 HydrophobicContact CG2-CB 3.77Å
193V95.6Very high93.3Very high11 Ų1152.8 Ų52.87%0.06725%0.245CC..Hα-helixtrans-57.7-44.4177.6168.40000111.2I189 D190 R197 V209 A212 K213 A216I189-V193 VanDerWaalsContact O-CG2 3.26Å; I189-V193 WeakPolarHBondContact O-CG2 3.43Å; I189-V193 PolarHBondContact O-N 3.17Å; D190-V193 PolarHBondContact O-N 3.16Å; V193-R197 WeakPolarHBondContact O-CB 3.18Å; V193-R197 VanDerWaalsContact O-CG 3.26Å; V193-R197 WeakPolarHBondContact O-CG 3.21Å; V193-R197 PolarHBondContact O-N 3.32Å; V193-V209 HydrophobicContact CG1-CG1 4.32Å; V193-A212 HydrophobicContact CB-CB 4.29Å; V193-A212 HydrophobicContact CG1-CB 3.83Å; V193-A212 HydrophobicContact CG2-CB 4.06Å; V193-K213 HydrophobicContact CG2-CB 4.39Å; V193-K213 HydrophobicContact CG2-CG 3.72Å; V193-A216 HydrophobicContact CG2-CB 4.21Å
194E94.5Very high93Very high116 Ų11648.4 Ų48.454%0.54225%0.25SS..Hα-helixtrans-61.3-47176-171.2-176.4170.800111.6D190 E191 I192 R197 N198D190-E194 PolarHBondContact O-N 2.88Å; E191-E194 PolarHBondContact O-N 2.94Å; I192-E194 VanDerWaalsContact C-N 3.31Å; I192-E194 PolarHBondContact O-N 3.09Å; E194-R197 PolarHBondContact O-N 3.1Å; E194-N198 WeakPolarHBondContact O-CB 3.46Å; E194-N198 PolarHBondContact O-N 3.47Å; E194-N198 PolarHBondContact O-ND2 3.21Å
195I94.3Very high92.5Very high10 Ų1051.2 Ų51.25%0.05126%0.264CS..Hα-helixtrans-60.2-49.8178.8-66.8162.8000110.6D17 Y18 E191 I192 R197 N198 T199 L223D17-I195 HydrophobicContact CB-CD1 3.7Å; D17-I195 HydrophobicContact CB-CG1 3.59Å; Y18-I195 HydrophobicContact CD1-CD1 3.89Å; Y18-I195 HydrophobicContact CE1-CD1 4.42Å; E191-I195 WeakPolarHBondContact O-CD1 3.31Å; E191-I195 WeakPolarHBondContact O-CG1 3.37Å; E191-I195 PolarHBondContact O-N 3.21Å; I192-I195 PolarHBondContact O-N 3.34Å; I195-R197 VanDerWaalsContact C-N 3.32Å; I195-R197 PolarHBondContact O-N 3.44Å; I195-N198 PolarHBondContact O-N 3.15Å; I195-N198 VanDerWaalsContact O-N 3.17Å; I195-T199 HydrophobicContact CG2-CG2 4.39Å; I195-T199 WeakPolarHBondContact O-CG2 3.39Å; I195-T199 PolarHBondContact O-N 3.36Å; I195-T199 PolarHBondContact O-OG1 3.09Å; I195-L223 HydrophobicContact CB-CD1 4.35Å; I195-L223 HydrophobicContact CD1-CD1 4.03Å; I195-L223 HydrophobicContact CD1-CD2 3.95Å; I195-L223 HydrophobicContact CG2-CD1 3.99Å
196L93.7Very high92.2Very high0 Ų053.7 Ų53.70%028%0.281CS..Hα-helixtrans-60.1-43.6-179.3-67.1178.2000111I192 N198 T199 A200 M207 I215 A226 L227 A230I192-L196 HydrophobicContact CG2-CD1 3.84Å; I192-L196 HydrophobicContact CG2-CG 4.01Å; I192-L196 WeakPolarHBondContact O-CB 3.35Å; I192-L196 VanDerWaalsContact O-CG 3.26Å; I192-L196 WeakPolarHBondContact O-CG 3.45Å; I192-L196 PolarHBondContact O-N 3.49Å; L196-N198 VanDerWaalsContact C-N 3.35Å; L196-N198 PolarHBondContact O-N 3.28Å; L196-T199 WeakPolarHBondContact CA-OG1 3.45Å; L196-T199 PolarHBondContact O-N 3.22Å; L196-T199 PolarHBondContact O-OG1 3.13Å; L196-A200 WeakPolarHBondContact O-CB 3.41Å; L196-A200 PolarHBondContact O-N 3.29Å; L196-M207 VanDerWaalsContact C-CE 3.43Å; L196-M207 HydrophobicContact CB-CE 3.22Å; L196-M207 HydrophobicContact CB-SD 4.21Å; L196-M207 HydrophobicContact CD1-CE 4.37Å; L196-M207 HydrophobicContact CG-CE 4.41Å; L196-I215 HydrophobicContact CD1-CB 4.22Å; L196-I215 HydrophobicContact CD1-CG2 3.78Å; L196-A226 HydrophobicContact CD1-CB 4.41Å; L196-A226 HydrophobicContact CD2-CB 4.29Å; L196-L227 HydrophobicContact CD2-CD2 3.78Å; L196-L227 HydrophobicContact CD2-CG 4.21Å; L196-A230 HydrophobicContact CD2-CB 3.85Å
197R93.7Very high92Very high84 Ų8452.4 Ų52.432%0.31727%0.269SS..Hα-helixtrans-63.8-40.9177-72.5176.876-160.95.4111.8V193 E194 I195 A200 R201 M207V193-R197 WeakPolarHBondContact O-CB 3.18Å; V193-R197 VanDerWaalsContact O-CG 3.26Å; V193-R197 WeakPolarHBondContact O-CG 3.21Å; V193-R197 PolarHBondContact O-N 3.32Å; E194-R197 PolarHBondContact O-N 3.1Å; I195-R197 VanDerWaalsContact C-N 3.32Å; I195-R197 PolarHBondContact O-N 3.44Å; R197-A200 PolarHBondContact O-N 3.14Å; R197-R201 WeakPolarHBondContact O-CB 3.28Å; R197-R201 VanDerWaalsContact O-CG 3.27Å; R197-R201 WeakPolarHBondContact O-CG 3.35Å; R197-R201 PolarHBondContact O-N 3.33Å; R197-M207 HydrophobicContact CG-CE 3.85Å
198N93.2Very high91.9Very high50 Ų5053.6 Ų53.627%0.26728%0.277SS..Hα-helixtrans-64.7-40.9176.4-72-21.4000111.4E194 I195 L196 R201 R202E194-N198 WeakPolarHBondContact O-CB 3.46Å; E194-N198 PolarHBondContact O-N 3.47Å; E194-N198 PolarHBondContact O-ND2 3.21Å; I195-N198 PolarHBondContact O-N 3.15Å; I195-N198 VanDerWaalsContact O-N 3.17Å; L196-N198 VanDerWaalsContact C-N 3.35Å; L196-N198 PolarHBondContact O-N 3.28Å; N198-R201 PolarHBondContact O-N 3.07Å; N198-R202 WeakPolarHBondContact O-CG 3.36Å; N198-R202 PolarHBondContact O-N 3.48Å; N198-R202 VanDerWaalsContact O-N 3.1Å
199T92.1Very high91.8Very high5 Ų553.5 Ų53.53%0.03128%0.275CS..Hα-helixtrans-66-42.6175.453.40000112.3Y8 I195 L196 R201 R202 E203 L227Y8-T199 HydrophobicContact CD2-CG2 4.03Å; Y8-T199 HydrophobicContact CG-CG2 3.99Å; I195-T199 HydrophobicContact CG2-CG2 4.39Å; I195-T199 WeakPolarHBondContact O-CG2 3.39Å; I195-T199 PolarHBondContact O-N 3.36Å; I195-T199 PolarHBondContact O-OG1 3.09Å; L196-T199 WeakPolarHBondContact CA-OG1 3.45Å; L196-T199 PolarHBondContact O-N 3.22Å; L196-T199 PolarHBondContact O-OG1 3.13Å; T199-R201 PolarHBondContact O-N 3.3Å; T199-R202 PolarHBondContact O-N 3.18Å; T199-E203 WeakPolarHBondContact O-CG 3.34Å; T199-E203 PolarHBondContact O-N 2.92Å; T199-L227 HydrophobicContact CG2-CD2 3.94Å
200A90.7Very high91.7Very high0 Ų056.3 Ų56.30%029%0.287CS..Hα-helixtrans-61.7-44.7176.200000111.5L196 R197 R202 E203 G204 H205 M207L196-A200 WeakPolarHBondContact O-CB 3.41Å; L196-A200 PolarHBondContact O-N 3.29Å; R197-A200 PolarHBondContact O-N 3.14Å; A200-R202 VanDerWaalsContact C-N 3.34Å; A200-R202 PolarHBondContact O-N 2.85Å; A200-E203 CarbonylContact O-C 3.53Å; A200-E203 WeakPolarHBondContact O-CA 3.44Å; A200-E203 WeakPolarHBondContact O-CB 3.37Å; A200-E203 PolarHBondContact O-N 3.24Å; A200-G204 PolarHBondContact O-N 2.82Å; A200-H205 CarbonylContact C-O 3.59Å; A200-H205 WeakPolarHBondContact CB-O 3.4Å; A200-H205 PolarHBondContact O-N 3.39Å; A200-M207 HydrophobicContact CB-CB 3.75Å
201R91.6Very high91.5Very high147 Ų14751 Ų5156%0.55526%0.259SS*.Hα-helixtrans-60-40.8177-76.7173.3175.7-172.8-4.1112.6R197 N198 T199 E203 G204 H205R197-R201 WeakPolarHBondContact O-CB 3.28Å; R197-R201 VanDerWaalsContact O-CG 3.27Å; R197-R201 WeakPolarHBondContact O-CG 3.35Å; R197-R201 PolarHBondContact O-N 3.33Å; N198-R201 PolarHBondContact O-N 3.07Å; T199-R201 PolarHBondContact O-N 3.3Å; R201-E203 PolarHBondContact O-N 3.31Å; R201-G204 PolarHBondContact O-N 3.44Å; R201-H205 WeakPolarHBondContact CA-O 3.47Å; R201-H205 PolarHBondContact N-O 2.98Å
202R90.9Very high91.4Very high153 Ų15348.2 Ų48.258%0.57725%0.245SC*.Hα-helixtrans-64.8-26.8175.7-72176.6-174.2170.94.4112.8Y8 N198 T199 A200 G204Y8-R202 HydrophobicContact CE1-CB 3.75Å; Y8-R202 HydrophobicContact CE1-CG 4.3Å; Y8-R202 WeakPolarHBondContact OH-CB 3.48Å; N198-R202 WeakPolarHBondContact O-CG 3.36Å; N198-R202 PolarHBondContact O-N 3.48Å; N198-R202 VanDerWaalsContact O-N 3.1Å; T199-R202 PolarHBondContact O-N 3.18Å; A200-R202 VanDerWaalsContact C-N 3.34Å; A200-R202 PolarHBondContact O-N 2.85Å; R202-G204 VanDerWaalsContact C-N 3.29Å
203E87.9Confident91.4Very high41 Ų4153 Ų5319%0.19227%0.266CS..THydrogen-bonded Turntrans-84.80.9173.7-67.3-76.112900113.2W4 K7 Y8 T199 A200 R201 H205 K234W4-E203 HydrophobicContact CD2-CG 4.47Å; W4-E203 HydrophobicContact CH2-CG 4.44Å; W4-E203 HydrophobicContact CZ2-CB 3.97Å; W4-E203 HydrophobicContact CZ2-CG 3.56Å; W4-E203 VanDerWaalsContact NE1-CD 3.29Å; W4-E203 PolarHBondContact NE1-OE2 2.93Å; K7-E203 IonicContact NZ-OE1 2.57Å; K7-E203 PolarHBondContact NZ-OE1 3.35Å; Y8-E203 HydrophobicContact CE2-CG 3.9Å; Y8-E203 WeakPolarHBondContact CE2-OE1 3.44Å; Y8-E203 VanDerWaalsContact CZ-OE1 3.3Å; Y8-E203 WeakPolarHBondContact OH-CG 3.46Å; Y8-E203 PolarHBondContact OH-OE1 2.99Å; T199-E203 WeakPolarHBondContact O-CG 3.34Å; T199-E203 PolarHBondContact O-N 2.92Å; A200-E203 CarbonylContact O-C 3.53Å; A200-E203 WeakPolarHBondContact O-CA 3.44Å; A200-E203 WeakPolarHBondContact O-CB 3.37Å; A200-E203 PolarHBondContact O-N 3.24Å; R201-E203 PolarHBondContact O-N 3.31Å; E203-H205 PolarHBondContact O-CE1 3.33Å; E203-H205 VanDerWaalsContact O-CE1 3.28Å; E203-H205 PolarHBondContact O-ND1 3.46Å; E203-K234 IonicContact OE2-NZ 3.79Å
204G86.7Confident91.3Very high70 Ų7056.4 Ų56.472%0.72228%0.278SS*.THydrogen-bonded Turntrans81.212.6-178.400000114.9A200 R201 R202A200-G204 PolarHBondContact O-N 2.82Å; R201-G204 PolarHBondContact O-N 3.44Å; R202-G204 VanDerWaalsContact C-N 3.29Å
205H83.5Confident91.3Very high60 Ų6050.9 Ų50.928%0.27825%0.252SS..  trans-118.2143.9-178.4-5876.9000110.7A200 R201 E203A200-H205 CarbonylContact C-O 3.59Å; A200-H205 WeakPolarHBondContact CB-O 3.4Å; A200-H205 PolarHBondContact O-N 3.39Å; R201-H205 WeakPolarHBondContact CA-O 3.47Å; R201-H205 PolarHBondContact N-O 2.98Å; E203-H205 PolarHBondContact O-CE1 3.33Å; E203-H205 VanDerWaalsContact O-CE1 3.28Å; E203-H205 PolarHBondContact O-ND1 3.46Å
206S86.4Confident91.3Very high91 Ų9150.4 Ų50.464%0.63625%0.25SC*.PPolyproline II helixtrans-97.8118.9173-170.70000109.6
207M88.3Confident91.3Very high4 Ų455.8 Ų55.82%0.0228%0.278CS..PPolyproline II helixtrans-93.7125.9175.2-175.5-176.659.100110.2L196 R197 A200 A212 I215 M240L196-M207 VanDerWaalsContact C-CE 3.43Å; L196-M207 HydrophobicContact CB-CE 3.22Å; L196-M207 HydrophobicContact CB-SD 4.21Å; L196-M207 HydrophobicContact CD1-CE 4.37Å; L196-M207 HydrophobicContact CG-CE 4.41Å; R197-M207 HydrophobicContact CG-CE 3.85Å; A200-M207 HydrophobicContact CB-CB 3.75Å; M207-A212 HydrophobicContact CE-CB 3.35Å; M207-A212 HydrophobicContact SD-CB 4.12Å; M207-I215 HydrophobicContact SD-CD1 4.34Å; M207-M240 HydrophobicContact CB-SD 4.05Å; M207-M240 HydrophobicContact CG-CE 3.78Å; M207-M240 HydrophobicContact CG-SD 3.93Å; M207-M240 HydrophobicContact SD-CE 3.96Å
208P92Very high91.2Very high26 Ų2653 Ų5317%0.16927%0.273CS..PPolyproline II helixtrans-57.9149.3174.8-24.233.8000112.8E210 L211 A212 M240 P242P208-E210 VanDerWaalsContact C-N 3.34Å; P208-L211 HydrophobicContact CB-CB 4.38Å; P208-A212 WeakPolarHBondContact O-CB 3.32Å; P208-A212 PolarHBondContact O-N 2.62Å; P208-A212 VanDerWaalsContact O-N 3.12Å; P208-M240 VanDerWaalsContact CG-O 3.31Å; P208-M240 WeakPolarHBondContact CG-O 3.44Å; P208-P242 HydrophobicContact CB-CB 4.1Å; P208-P242 HydrophobicContact CG-CB 4.47Å
209V92.3Very high91.1Very high41 Ų4150.6 Ų50.625%0.24826%0.26CS..Hα-helixtrans-71.1-34.8-177.21790000110.8V193 A212 K213V193-V209 HydrophobicContact CG1-CG1 4.32Å; V209-A212 PolarHBondContact O-N 3.4Å; V209-K213 HydrophobicContact CG1-CD 4.26Å; V209-K213 WeakPolarHBondContact O-CG 3.4Å; V209-K213 PolarHBondContact O-N 3.25Å
210E92.7Very high91.1Very high103 Ų10355.9 Ų55.948%0.48128%0.284SS..Hα-helixtrans-63.2-49.5179.8-61.867.8-146.300110.3P208 K213 R214 P242P208-E210 VanDerWaalsContact C-N 3.34Å; E210-K213 PolarHBondContact O-N 3.04Å; E210-R214 WeakPolarHBondContact O-CG 3.46Å; E210-R214 PolarHBondContact O-N 2.83Å; E210-R214 VanDerWaalsContact O-N 3.08Å; E210-P242 HydrophobicContact CB-CB 4.33Å
211L91.7Very high91.3Very high0 Ų062 Ų620%031%0.307CS..Hα-helixtrans-63.9-43.4176.7179.858000111.4P208 K213 R214 I215 M240 Q244 V246P208-L211 HydrophobicContact CB-CB 4.38Å; L211-K213 VanDerWaalsContact C-N 3.29Å; L211-K213 PolarHBondContact O-N 3Å; L211-R214 PolarHBondContact O-N 2.88Å; L211-I215 HydrophobicContact CD1-CD1 4.17Å; L211-I215 HydrophobicContact CD1-CG1 4.31Å; L211-I215 HydrophobicContact CG-CD1 3.99Å; L211-I215 WeakPolarHBondContact O-CG1 3.4Å; L211-I215 PolarHBondContact O-N 3.26Å; L211-M240 HydrophobicContact CD2-CB 3.94Å; L211-M240 HydrophobicContact CD2-CE 3.58Å; L211-Q244 HydrophobicContact CD1-CB 4.15Å; L211-Q244 HydrophobicContact CD2-CB 4.34Å; L211-V246 HydrophobicContact CD1-CG2 4.45Å
212A93.5Very high91.4Very high0 Ų056.2 Ų56.20%029%0.287CS..Hα-helixtrans-57.4-42.4176.200000112.3V193 M207 P208 V209 I215 A216V193-A212 HydrophobicContact CB-CB 4.29Å; V193-A212 HydrophobicContact CG1-CB 3.83Å; V193-A212 HydrophobicContact CG2-CB 4.06Å; M207-A212 HydrophobicContact CE-CB 3.35Å; M207-A212 HydrophobicContact SD-CB 4.12Å; P208-A212 WeakPolarHBondContact O-CB 3.32Å; P208-A212 PolarHBondContact O-N 2.62Å; P208-A212 VanDerWaalsContact O-N 3.12Å; V209-A212 PolarHBondContact O-N 3.4Å; A212-I215 PolarHBondContact O-N 3.18Å; A212-A216 WeakPolarHBondContact O-CB 3.42Å; A212-A216 PolarHBondContact O-N 2.95Å
213K94.6Very high91.6Very high100 Ų10049.8 Ų49.844%0.43526%0.264SS..Hα-helixtrans-64.9-42.5177-77.5176.1176.9-179.40111.7V193 V209 E210 L211 A216 L217V193-K213 HydrophobicContact CG2-CB 4.39Å; V193-K213 HydrophobicContact CG2-CG 3.72Å; V209-K213 HydrophobicContact CG1-CD 4.26Å; V209-K213 WeakPolarHBondContact O-CG 3.4Å; V209-K213 PolarHBondContact O-N 3.25Å; E210-K213 PolarHBondContact O-N 3.04Å; L211-K213 VanDerWaalsContact C-N 3.29Å; L211-K213 PolarHBondContact O-N 3Å; K213-A216 PolarHBondContact O-N 3.25Å; K213-L217 WeakPolarHBondContact O-CG 3.44Å; K213-L217 PolarHBondContact O-N 3Å
214R93Very high91.8Very high84 Ų8454.6 Ų54.632%0.31728%0.281SS..Hα-helixtrans-60.7-45.9174.9-66.6175.9-147.2-170.5-6.2111.7E210 L211 A216 L217 A218 P242 D243 Q244 V246E210-R214 WeakPolarHBondContact O-CG 3.46Å; E210-R214 PolarHBondContact O-N 2.83Å; E210-R214 VanDerWaalsContact O-N 3.08Å; L211-R214 PolarHBondContact O-N 2.88Å; R214-A216 VanDerWaalsContact C-N 3.34Å; R214-A216 PolarHBondContact O-N 3.44Å; R214-L217 PolarHBondContact O-N 3.32Å; R214-A218 WeakPolarHBondContact O-CB 3.22Å; R214-A218 PolarHBondContact O-N 3.1Å; R214-P242 PolarHBondContact NH1-O 3.03Å; R214-P242 PolarHBondContact NH2-O 3.19Å; R214-D243 IonicContact CZ-OD1 3.82Å; R214-D243 VanDerWaalsContact NH1-CA 3.35Å; R214-D243 PolarHBondContact NH1-O 2.87Å; R214-D243 IonicContact NH2-OD1 3.75Å; R214-D243 PolarHBondContact NH2-OD1 3.36Å; R214-Q244 PolarHBondContact NH1-O 3.29Å; R214-V246 HydrophobicContact CB-CG2 4.04Å
215I94.6Very high92.2Very high0 Ų053.8 Ų53.80%026%0.256CS..Hα-helixtrans-61.2-44.6176.9-68.6168.5000110.6L196 M207 L211 A212 L217 A218 S219 A226 Y229 A230 A233 V246L196-I215 HydrophobicContact CD1-CB 4.22Å; L196-I215 HydrophobicContact CD1-CG2 3.78Å; M207-I215 HydrophobicContact SD-CD1 4.34Å; L211-I215 HydrophobicContact CD1-CD1 4.17Å; L211-I215 HydrophobicContact CD1-CG1 4.31Å; L211-I215 HydrophobicContact CG-CD1 3.99Å; L211-I215 WeakPolarHBondContact O-CG1 3.4Å; L211-I215 PolarHBondContact O-N 3.26Å; A212-I215 PolarHBondContact O-N 3.18Å; I215-L217 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.29Å; I215-A218 PolarHBondContact O-N 3.44Å; I215-S219 VanDerWaalsContact O-CB 3.27Å; I215-S219 WeakPolarHBondContact O-CB 3.31Å; I215-S219 PolarHBondContact O-N 3.47Å; I215-S219 PolarHBondContact O-OG 3.38Å; I215-A226 HydrophobicContact CG2-CB 4.28Å; I215-A226 WeakPolarHBondContact CG2-O 3.31Å; I215-Y229 HydrophobicContact CG2-CD2 4.39Å; I215-A230 HydrophobicContact CD1-CB 4.28Å; I215-A233 HydrophobicContact CD1-CB 4.2Å; I215-V246 HydrophobicContact CG1-CG1 4.5Å; I215-V246 HydrophobicContact CG1-CG2 3.69Å
216A94.3Very high92.7Very high0 Ų051 Ų510%024%0.243CC..Hα-helixtrans-61.6-40.9178.600000112I189 I192 V193 A212 K213 R214 S219I189-A216 HydrophobicContact CG2-CB 3.85Å; I192-A216 HydrophobicContact CB-CB 4.07Å; I192-A216 HydrophobicContact CG2-CB 3.75Å; V193-A216 HydrophobicContact CG2-CB 4.21Å; A212-A216 WeakPolarHBondContact O-CB 3.42Å; A212-A216 PolarHBondContact O-N 2.95Å; K213-A216 PolarHBondContact O-N 3.25Å; R214-A216 VanDerWaalsContact C-N 3.34Å; R214-A216 PolarHBondContact O-N 3.44Å; A216-S219 PolarHBondContact O-OG 2.76Å
217L93.6Very high93Very high113 Ų11347.3 Ų47.359%0.59222%0.216SC*.Hα-helixtrans-64.7-49.9173.7-71.7169.6000111.9I189 K213 R214 I215 S219 E220I189-L217 HydrophobicContact CD1-CD2 3.69Å; K213-L217 WeakPolarHBondContact O-CG 3.44Å; K213-L217 PolarHBondContact O-N 3Å; R214-L217 PolarHBondContact O-N 3.32Å; I215-L217 VanDerWaalsContact C-N 3.33Å; I215-L217 PolarHBondContact O-N 3.29Å; L217-S219 PolarHBondContact O-N 3.29Å; L217-E220 PolarHBondContact O-N 3.26Å; L217-E220 VanDerWaalsContact O-N 3.16Å
218A92Very high93.3Very high25 Ų2549.5 Ų49.521%0.20723%0.228CC..Hα-helixtrans-63.9-25179.500000113.4R214 I215 E220 Y229 V246 L248R214-A218 WeakPolarHBondContact O-CB 3.22Å; R214-A218 PolarHBondContact O-N 3.1Å; I215-A218 PolarHBondContact O-N 3.44Å; A218-E220 VanDerWaalsContact C-N 3.28Å; A218-E220 PolarHBondContact O-N 2.89Å; A218-Y229 HydrophobicContact CB-CE2 4.32Å; A218-V246 HydrophobicContact CB-CG1 4.12Å; A218-L248 HydrophobicContact CB-CD2 4.17Å
219S91.8Very high93.3Very high0 Ų049.2 Ų49.20%022%0.223CC..THydrogen-bonded Turntrans-78.7-5.7177.874.70000114.6I215 A216 L217 R221 N222I215-S219 VanDerWaalsContact O-CB 3.27Å; I215-S219 WeakPolarHBondContact O-CB 3.31Å; I215-S219 PolarHBondContact O-N 3.47Å; I215-S219 PolarHBondContact O-OG 3.38Å; A216-S219 PolarHBondContact O-OG 2.76Å; L217-S219 PolarHBondContact O-N 3.29Å; S219-R221 PolarHBondContact O-N 2.85Å; S219-N222 VanDerWaalsContact O-CB 3.22Å; S219-N222 WeakPolarHBondContact O-CB 3.42Å; S219-N222 PolarHBondContact O-N 3.49Å
220E92.1Very high93.3Very high115 Ų11547.2 Ų47.254%0.53721%0.211SC..THydrogen-bonded Turntrans53.735.2-175.7-60161.2-132.900112.7L217 A218 N222 R225L217-E220 PolarHBondContact O-N 3.26Å; L217-E220 VanDerWaalsContact O-N 3.16Å; A218-E220 VanDerWaalsContact C-N 3.28Å; A218-E220 PolarHBondContact O-N 2.89Å; E220-N222 PolarHBondContact O-N 2.99Å; E220-R225 IonicContact OE1-CZ 2.82Å; E220-R225 IonicContact OE1-NH1 3.25Å; E220-R225 PolarHBondContact OE1-NH1 3.22Å; E220-R225 IonicContact OE1-NH2 2.81Å; E220-R225 IonicContact OE2-NH1 3.71Å
221R93.8Very high93.2Very high130 Ų13043.7 Ų43.749%0.49120%0.195SC..THydrogen-bonded Turntrans62.119-174.4-51.6-179.7178.5178.4-1115.3A186 I189 I192 S219 L223A186-R221 HydrophobicContact CB-CB 4.05Å; I189-R221 HydrophobicContact CG1-CG 4.43Å; I192-R221 HydrophobicContact CD1-CB 4.13Å; I192-R221 HydrophobicContact CD1-CG 4.5Å; S219-R221 PolarHBondContact O-N 2.85Å; R221-L223 PolarHBondContact O-N 3.38Å
222N94.5Very high93.2Very high24 Ų2446.7 Ų46.713%0.12821%0.213CC..  trans-87.4105.6170.1-176.4-40.5000109.3S44 G45 S219 E220 R224 R225 A226S44-N222 PolarHBondContact O-ND2 3.21Å; G45-N222 WeakPolarHBondContact CA-OD1 3.2Å; S219-N222 VanDerWaalsContact O-CB 3.22Å; S219-N222 WeakPolarHBondContact O-CB 3.42Å; S219-N222 PolarHBondContact O-N 3.49Å; E220-N222 PolarHBondContact O-N 2.99Å; N222-R224 VanDerWaalsContact C-N 3.27Å; N222-R224 PolarHBondContact O-N 2.95Å; N222-R224 WeakPolarHBondContact OD1-CB 3.44Å; N222-R224 PolarHBondContact OD1-N 3.27Å; N222-R224 VanDerWaalsContact OD1-N 3.15Å; N222-R225 HydrophobicContact CB-CB 4.03Å; N222-R225 HydrophobicContact CB-CG 4.04Å; N222-R225 PolarHBondContact O-N 2.75Å; N222-R225 VanDerWaalsContact O-N 3.14Å; N222-R225 PolarHBondContact OD1-N 3.46Å; N222-A226 PolarHBondContact O-N 2.92Å
223L93.5Very high93Very high19 Ų1946.9 Ų46.910%0.09922%0.215CC..Hα-helixtrans-62.1-34.5-174.7-177.660.8000112.8Y18 G45 P187 I192 I195 R221 A226 L227Y18-L223 HydrophobicContact CE1-CD2 3.8Å; G45-L223 PolarHBondContact O-N 3.34Å; P187-L223 HydrophobicContact CG-CB 4.21Å; I192-L223 HydrophobicContact CG1-CD1 4.33Å; I192-L223 HydrophobicContact CG2-CD1 4.34Å; I195-L223 HydrophobicContact CB-CD1 4.35Å; I195-L223 HydrophobicContact CD1-CD1 4.03Å; I195-L223 HydrophobicContact CD1-CD2 3.95Å; I195-L223 HydrophobicContact CG2-CD1 3.99Å; R221-L223 PolarHBondContact O-N 3.38Å; L223-A226 PolarHBondContact O-N 3.48Å; L223-L227 HydrophobicContact CD1-CG 4.47Å; L223-L227 HydrophobicContact CG-CD1 4.32Å; L223-L227 WeakPolarHBondContact O-CG 3.28Å; L223-L227 PolarHBondContact O-N 3.38Å
224R94Very high92.7Very high142 Ų14244.3 Ų44.354%0.53620%0.203SC..Hα-helixtrans-63.4-47.5175.6-177.3174.7-173.7-91.40.2110.8V5 N222 A226 L227 L228V5-R224 HydrophobicContact CG1-CG 3.89Å; V5-R224 HydrophobicContact CG2-CG 4.21Å; N222-R224 VanDerWaalsContact C-N 3.27Å; N222-R224 PolarHBondContact O-N 2.95Å; N222-R224 WeakPolarHBondContact OD1-CB 3.44Å; N222-R224 PolarHBondContact OD1-N 3.27Å; N222-R224 VanDerWaalsContact OD1-N 3.15Å; R224-A226 VanDerWaalsContact C-N 3.33Å; R224-A226 PolarHBondContact O-N 3.44Å; R224-L227 PolarHBondContact O-N 3Å; R224-L228 HydrophobicContact CG-CD1 4.49Å; R224-L228 WeakPolarHBondContact O-CG 3.28Å; R224-L228 PolarHBondContact O-N 2.97Å
225R93.4Very high92.4Very high53 Ų5349.1 Ų49.120%0.222%0.222CC..Hα-helixtrans-60.9-42.5175-69.4176.972-1760.5111E220 N222 L227 L228 Y229E220-R225 IonicContact OE1-CZ 2.82Å; E220-R225 IonicContact OE1-NH1 3.25Å; E220-R225 PolarHBondContact OE1-NH1 3.22Å; E220-R225 IonicContact OE1-NH2 2.81Å; E220-R225 IonicContact OE2-NH1 3.71Å; N222-R225 HydrophobicContact CB-CB 4.03Å; N222-R225 HydrophobicContact CB-CG 4.04Å; N222-R225 PolarHBondContact O-N 2.75Å; N222-R225 VanDerWaalsContact O-N 3.14Å; N222-R225 PolarHBondContact OD1-N 3.46Å; R225-L227 PolarHBondContact O-N 3.35Å; R225-L228 PolarHBondContact O-N 2.95Å; R225-Y229 PolarHBondContact NH2-OH 3.17Å; R225-Y229 WeakPolarHBondContact O-CD2 3.37Å; R225-Y229 PolarHBondContact O-N 3.17Å
226A94.3Very high92Very high0 Ų052.3 Ų52.30%024%0.237CC..Hα-helixtrans-59.7-44.5179.300000112.8I192 L196 I215 N222 L223 R224 Y229 A230I192-A226 HydrophobicContact CG2-CB 3.77Å; L196-A226 HydrophobicContact CD1-CB 4.41Å; L196-A226 HydrophobicContact CD2-CB 4.29Å; I215-A226 HydrophobicContact CG2-CB 4.28Å; I215-A226 WeakPolarHBondContact CG2-O 3.31Å; N222-A226 PolarHBondContact O-N 2.92Å; L223-A226 PolarHBondContact O-N 3.48Å; R224-A226 VanDerWaalsContact C-N 3.33Å; R224-A226 PolarHBondContact O-N 3.44Å; A226-Y229 PolarHBondContact O-N 3.31Å; A226-A230 PolarHBondContact O-N 2.85Å
227L93.9Very high91.3Very high15 Ų1557 Ų578%0.07926%0.258CS..Hα-helixtrans-64.8-39.8177.6-75.6167.8000112.2V5 L196 T199 L223 R224 R225 A230 E231V5-L227 HydrophobicContact CG2-CB 3.76Å; V5-L227 HydrophobicContact CG2-CD1 4.44Å; L196-L227 HydrophobicContact CD2-CD2 3.78Å; L196-L227 HydrophobicContact CD2-CG 4.21Å; T199-L227 HydrophobicContact CG2-CD2 3.94Å; L223-L227 HydrophobicContact CD1-CG 4.47Å; L223-L227 HydrophobicContact CG-CD1 4.32Å; L223-L227 WeakPolarHBondContact O-CG 3.28Å; L223-L227 PolarHBondContact O-N 3.38Å; R224-L227 PolarHBondContact O-N 3Å; R225-L227 PolarHBondContact O-N 3.35Å; L227-A230 PolarHBondContact O-N 3.31Å; L227-E231 PolarHBondContact O-N 3.24Å
228L93.4Very high90.5Very high50 Ų5056 Ų5626%0.26226%0.26SS..Hα-helixtrans-64.5-43.3175.3-67.2171.3000111.6L3 V5 R224 R225 A230 E231 V232L3-L228 HydrophobicContact CD1-CD2 4.26Å; V5-L228 HydrophobicContact CG2-CD2 3.73Å; V5-L228 HydrophobicContact CG2-CG 3.77Å; R224-L228 HydrophobicContact CG-CD1 4.49Å; R224-L228 WeakPolarHBondContact O-CG 3.28Å; R224-L228 PolarHBondContact O-N 2.97Å; R225-L228 PolarHBondContact O-N 2.95Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.48Å; L228-E231 PolarHBondContact O-N 3.13Å; L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.39Å
229Y93.2Very high90Very high19 Ų1959.8 Ų59.88%0.07528%0.282CS..Hα-helixtrans-63.2-36.8174.7-71.2-33.9000112.7I215 A218 R225 A226 V232 A233 V246 P249I215-Y229 HydrophobicContact CG2-CD2 4.39Å; A218-Y229 HydrophobicContact CB-CE2 4.32Å; R225-Y229 PolarHBondContact NH2-OH 3.17Å; R225-Y229 WeakPolarHBondContact O-CD2 3.37Å; R225-Y229 PolarHBondContact O-N 3.17Å; A226-Y229 PolarHBondContact O-N 3.31Å; Y229-V232 PolarHBondContact O-N 2.91Å; Y229-A233 VanDerWaalsContact O-CB 3.29Å; Y229-A233 WeakPolarHBondContact O-CB 3.14Å; Y229-A233 PolarHBondContact O-N 3.19Å; Y229-V246 HydrophobicContact CD1-CG1 4.33Å; Y229-V246 HydrophobicContact CD2-CG1 4.3Å; Y229-V246 HydrophobicContact CG-CG1 4.1Å; Y229-P249 HydrophobicContact CE1-CG 4.37Å; Y229-P249 WeakPolarHBondContact OH-CD 3.35Å
230A91.3Very high89.5Confident0 Ų060.5 Ų60.50%029%0.286CS..Hα-helixtrans-66.8-37.8175.500000112.1W4 L196 I215 A226 L227 L228 A233 K234W4-A230 HydrophobicContact CE3-CB 4.34Å; W4-A230 HydrophobicContact CZ3-CB 3.98Å; L196-A230 HydrophobicContact CD2-CB 3.85Å; I215-A230 HydrophobicContact CD1-CB 4.28Å; A226-A230 PolarHBondContact O-N 2.85Å; L227-A230 PolarHBondContact O-N 3.31Å; L228-A230 VanDerWaalsContact C-N 3.31Å; L228-A230 PolarHBondContact O-N 3.48Å; A230-A233 PolarHBondContact O-N 3.32Å; A230-K234 PolarHBondContact O-N 3.5Å
231E90.4Very high89.1Confident28 Ų2859.5 Ų59.513%0.13128%0.284CS..Hα-helixtrans-63.6-45.9173.4-170167.3176.200111L3 W4 L227 L228 A233 K234 W235L3-E231 WeakPolarHBondContact CD2-OE1 3.27Å; W4-E231 HydrophobicContact CD2-CB 4.27Å; W4-E231 HydrophobicContact CD2-CG 4.49Å; W4-E231 HydrophobicContact CE3-CB 4.31Å; W4-E231 HydrophobicContact CG-CB 4.49Å; W4-E231 HydrophobicContact CG-CG 4.49Å; W4-E231 PolarHBondContact N-OE2 3.47Å; L227-E231 PolarHBondContact O-N 3.24Å; L228-E231 PolarHBondContact O-N 3.13Å; E231-A233 PolarHBondContact O-N 2.96Å; E231-K234 WeakPolarHBondContact O-CB 3.48Å; E231-K234 PolarHBondContact O-N 3.34Å; E231-W235 PolarHBondContact O-N 3.35Å; E231-W235 VanDerWaalsContact O-N 3.12Å
232V91.3Very high88.6Confident64 Ų6455.8 Ų55.839%0.38828%0.276SS..Hα-helixtrans-61.1-42.4174.8170.80000112L228 Y229 K234 W235 Q236 Q247L228-V232 WeakPolarHBondContact O-CG2 3.46Å; L228-V232 PolarHBondContact O-N 3.39Å; Y229-V232 PolarHBondContact O-N 2.91Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.14Å; V232-W235 PolarHBondContact O-N 3.49Å; V232-W235 VanDerWaalsContact O-N 3.17Å; V232-Q236 VanDerWaalsContact CG1-NE2 3.3Å; V232-Q236 PolarHBondContact O-N 3.39Å; V232-Q236 VanDerWaalsContact O-N 3.17Å; V232-Q247 HydrophobicContact CG1-CB 4.4Å
233A89.7Confident88.1Confident4 Ų460.9 Ų60.93%0.03330%0.303CS..Hα-helixtrans-64.3-38.8178.800000112I215 Y229 A230 E231 W235 Q236 H237 M240 Q244I215-A233 HydrophobicContact CD1-CB 4.2Å; Y229-A233 VanDerWaalsContact O-CB 3.29Å; Y229-A233 WeakPolarHBondContact O-CB 3.14Å; Y229-A233 PolarHBondContact O-N 3.19Å; A230-A233 PolarHBondContact O-N 3.32Å; E231-A233 PolarHBondContact O-N 2.96Å; A233-W235 VanDerWaalsContact C-N 3.34Å; A233-Q236 PolarHBondContact O-N 2.76Å; A233-H237 PolarHBondContact O-N 2.77Å; A233-M240 HydrophobicContact CB-CE 3.62Å; A233-Q244 PolarHBondContact O-NE2 2.98Å
234K88.1Confident87.5Confident45 Ų4560.5 Ų60.520%0.19630%0.301CS..Hα-helixtrans-60.4-42.6171.9170.5-176.8170.6-1710111.8W4 E203 A230 E231 V232 Q236 H237 M240W4-K234 HydrophobicContact CH2-CB 4.29Å; W4-K234 HydrophobicContact CH2-CD 3.76Å; W4-K234 HydrophobicContact CZ2-CD 3.36Å; E203-K234 IonicContact OE2-NZ 3.79Å; A230-K234 PolarHBondContact O-N 3.5Å; E231-K234 WeakPolarHBondContact O-CB 3.48Å; E231-K234 PolarHBondContact O-N 3.34Å; V232-K234 VanDerWaalsContact C-N 3.34Å; V232-K234 PolarHBondContact O-N 3.14Å; K234-Q236 VanDerWaalsContact C-N 3.32Å; K234-Q236 PolarHBondContact O-N 2.97Å; K234-H237 CarbonylContact O-C 3.6Å; K234-M240 HydrophobicContact CB-SD 4.37Å
235W87Confident87.1Confident185 Ų18557.3 Ų57.370%0.70130%0.3SS*.Hα-helixtrans-65.8-33.1-178.6-81.8112.3000113.3E231 V232 A233E231-W235 PolarHBondContact O-N 3.35Å; E231-W235 VanDerWaalsContact O-N 3.12Å; V232-W235 PolarHBondContact O-N 3.49Å; V232-W235 VanDerWaalsContact O-N 3.17Å; A233-W235 VanDerWaalsContact C-N 3.34Å
236Q85.8Confident86.7Confident68 Ų6856.2 Ų56.232%0.31830%0.3SS..Hα-helixtrans-70.3-46.5178.5-7416112.800112.9V232 A233 K234V232-Q236 VanDerWaalsContact CG1-NE2 3.3Å; V232-Q236 PolarHBondContact O-N 3.39Å; V232-Q236 VanDerWaalsContact O-N 3.17Å; A233-Q236 PolarHBondContact O-N 2.76Å; K234-Q236 VanDerWaalsContact C-N 3.32Å; K234-Q236 PolarHBondContact O-N 2.97Å
237H80.5Confident86.3Confident98 Ų9861.1 Ų61.145%0.45432%0.323SS..  trans-141.7124.4-175.5-64.9-65.9000111.1A233 K234 P239 M240A233-H237 PolarHBondContact O-N 2.77Å; K234-H237 CarbonylContact O-C 3.6Å; H237-P239 CarbonylContact O-C 3.55Å; H237-M240 PolarHBondContact O-N 2.87Å
238C75.8Confident86.1Confident92 Ų9263.3 Ų63.362%0.62233%0.334SS*.SBendtrans-125.9115171.3-176.10000108.6
239P82Confident85.9Confident105 Ų10562.6 Ų62.668%0.68233%0.333SS*.SBendcis-74.1151.61.331.1-35000113.5H237 L241H237-P239 CarbonylContact O-C 3.55Å; P239-L241 PolarHBondContact O-N 3.35Å
240M80.9Confident85.9Confident15 Ų1568.5 Ų68.57%0.07437%0.365CS..PPolyproline II helixtrans-65.2127-179.8-60.3171.481.100110.4M207 P208 L211 A233 K234 H237M207-M240 HydrophobicContact CB-SD 4.05Å; M207-M240 HydrophobicContact CG-CE 3.78Å; M207-M240 HydrophobicContact CG-SD 3.93Å; M207-M240 HydrophobicContact SD-CE 3.96Å; P208-M240 VanDerWaalsContact CG-O 3.31Å; P208-M240 WeakPolarHBondContact CG-O 3.44Å; L211-M240 HydrophobicContact CD2-CB 3.94Å; L211-M240 HydrophobicContact CD2-CE 3.58Å; A233-M240 HydrophobicContact CB-CE 3.62Å; K234-M240 HydrophobicContact CB-SD 4.37Å; H237-M240 PolarHBondContact O-N 2.87Å
241L84.6Confident86Confident94 Ų9472 Ų7249%0.49238%0.379SS..PPolyproline II helixtrans-87.6148.1-179.8-66.5170.6000111P239 D243 Q244P239-L241 PolarHBondContact O-N 3.35Å; L241-D243 PolarHBondContact O-N 3.31Å; L241-Q244 PolarHBondContact O-N 3.48Å
242P83.1Confident86.1Confident52 Ų5272.4 Ų72.434%0.33838%0.381SS..THydrogen-bonded Turntrans-62.2-33.7176.425.1-33000111.9P208 E210 R214P208-P242 HydrophobicContact CB-CB 4.1Å; P208-P242 HydrophobicContact CG-CB 4.47Å; E210-P242 HydrophobicContact CB-CB 4.33Å; R214-P242 PolarHBondContact NH1-O 3.03Å; R214-P242 PolarHBondContact NH2-O 3.19Å
243D83.7Confident86.2Confident130 Ų13072.2 Ų72.270%0.69538%0.379SS*.THydrogen-bonded Turntrans-91.46.9-175.2-70.9-37.9000116.4R214 L241R214-D243 IonicContact CZ-OD1 3.82Å; R214-D243 VanDerWaalsContact NH1-CA 3.35Å; R214-D243 PolarHBondContact NH1-O 2.87Å; R214-D243 IonicContact NH2-OD1 3.75Å; R214-D243 PolarHBondContact NH2-OD1 3.36Å; L241-D243 PolarHBondContact O-N 3.31Å
244Q82.3Confident86.5Confident12 Ų1273.5 Ų73.56%0.05638%0.384CS..PPolyproline II helixtrans-61.2138.7177-175.1176.2-9.100112.5L211 R214 A233 L241L211-Q244 HydrophobicContact CD1-CB 4.15Å; L211-Q244 HydrophobicContact CD2-CB 4.34Å; R214-Q244 PolarHBondContact NH1-O 3.29Å; A233-Q244 PolarHBondContact O-NE2 2.98Å; L241-Q244 PolarHBondContact O-N 3.48Å
245S83.9Confident86.8Confident74 Ų7471.4 Ų71.452%0.51738%0.375SS..PPolyproline II helixtrans-80.7141.6173.157.30000110.9
246V86.2Confident87.1Confident30 Ų3065.3 Ų65.318%0.18236%0.358CS..PPolyproline II helixtrans-81.2122.3174.7-178.10000107.9L211 R214 I215 A218 Y229 L248L211-V246 HydrophobicContact CD1-CG2 4.45Å; R214-V246 HydrophobicContact CB-CG2 4.04Å; I215-V246 HydrophobicContact CG1-CG1 4.5Å; I215-V246 HydrophobicContact CG1-CG2 3.69Å; A218-V246 HydrophobicContact CB-CG1 4.12Å; Y229-V246 HydrophobicContact CD1-CG1 4.33Å; Y229-V246 HydrophobicContact CD2-CG1 4.3Å; Y229-V246 HydrophobicContact CG-CG1 4.1Å; V246-L248 PolarHBondContact O-N 2.84Å
247Q85.9Confident87.6Confident104 Ų10466.8 Ų66.849%0.48637%0.365SS..  trans-74.2115.8172.3-64.5-60.9-54.300109.3V232V232-Q247 HydrophobicContact CG1-CB 4.4Å
248L88.5Confident88.2Confident60 Ų6062.1 Ų62.131%0.31434%0.344SS..  trans-79157.9173.2-61.7177.5000109.6A218 V246 V253A218-L248 HydrophobicContact CB-CD2 4.17Å; V246-L248 PolarHBondContact O-N 2.84Å; L248-V253 HydrophobicContact CB-CG2 4.14Å
249P90.8Very high89.1Confident36 Ų3657.9 Ų57.923%0.23432%0.315CS..  trans-59142173.7-22.634000111.1Y229 W251 Q252 V253Y229-P249 HydrophobicContact CE1-CG 4.37Å; Y229-P249 WeakPolarHBondContact OH-CD 3.35Å; P249-W251 VanDerWaalsContact CB-CD1 3.48Å; P249-W251 HydrophobicContact CB-CG 4.32Å; P249-W251 VanDerWaalsContact CB-NE1 3.3Å; P249-W251 PolarHBondContact O-N 3.38Å; P249-W251 VanDerWaalsContact O-N 3.14Å; P249-Q252 HydrophobicContact CB-CB 4.5Å; P249-Q252 WeakPolarHBondContact O-CA 3.43Å; P249-Q252 WeakPolarHBondContact O-CB 3.43Å; P249-Q252 PolarHBondContact O-N 3.47Å; P249-V253 PolarHBondContact O-N 2.93Å
250D92Very high89.7Confident142 Ų14256 Ų5676%0.75931%0.305SS*.Hα-helixtrans-53.9-40.2-176.7-56.2-26.6000112.4Q252 V253 F254D250-Q252 VanDerWaalsContact C-N 3.25Å; D250-Q252 PolarHBondContact O-N 3.19Å; D250-V253 PolarHBondContact O-N 3.25Å; D250-F254 VanDerWaalsContact O-CB 3.3Å; D250-F254 WeakPolarHBondContact O-CB 3.3Å; D250-F254 PolarHBondContact O-N 3.28Å
251W93.9Very high90.4Very high75 Ų7556.1 Ų56.128%0.28431%0.308SS..Hα-helixtrans-62.7-31.6177.470.2-95.9000113.7P249 L255 L281 I286 I290P249-W251 VanDerWaalsContact CB-CD1 3.48Å; P249-W251 HydrophobicContact CB-CG 4.32Å; P249-W251 VanDerWaalsContact CB-NE1 3.3Å; P249-W251 PolarHBondContact O-N 3.38Å; P249-W251 VanDerWaalsContact O-N 3.14Å; W251-L255 HydrophobicContact CE3-CD1 3.49Å; W251-L255 VanDerWaalsContact CE3-CD1 3.49Å; W251-L255 HydrophobicContact CE3-CG 4.33Å; W251-L255 HydrophobicContact CZ3-CD1 3.48Å; W251-L255 VanDerWaalsContact CZ3-CD1 3.48Å; W251-L255 WeakPolarHBondContact O-CB 3.28Å; W251-L255 VanDerWaalsContact O-CG 3.29Å; W251-L255 WeakPolarHBondContact O-CG 3.48Å; W251-L255 PolarHBondContact O-N 3.48Å; W251-L281 HydrophobicContact CB-CD2 4.1Å; W251-I286 HydrophobicContact CB-CD1 3.33Å; W251-I286 HydrophobicContact CB-CG1 4.44Å; W251-I286 HydrophobicContact CG-CD1 3.92Å; W251-I290 HydrophobicContact CH2-CG2 3.53Å; W251-I290 HydrophobicContact CZ2-CG2 4.3Å; W251-I290 HydrophobicContact CZ3-CG2 3.63Å
252Q92Very high90.8Very high36 Ų3651.7 Ų51.717%0.16829%0.285CS..Hα-helixtrans-75.3-41.3179.2-172.8167.64.200110.3P249 D250 F254 L255 T256P249-Q252 HydrophobicContact CB-CB 4.5Å; P249-Q252 WeakPolarHBondContact O-CA 3.43Å; P249-Q252 WeakPolarHBondContact O-CB 3.43Å; P249-Q252 PolarHBondContact O-N 3.47Å; D250-Q252 VanDerWaalsContact C-N 3.25Å; D250-Q252 PolarHBondContact O-N 3.19Å; Q252-F254 VanDerWaalsContact C-N 3.33Å; Q252-L255 WeakPolarHBondContact O-CB 3.42Å; Q252-L255 PolarHBondContact O-N 3.36Å; Q252-T256 PolarHBondContact O-N 2.86Å; Q252-T256 PolarHBondContact O-OG1 3.03Å
253V93.3Very high91.2Very high60 Ų6050.6 Ų50.636%0.36428%0.276SS..Hα-helixtrans-59.9-47.2171.9-179.70000110L248 P249 D250 L255 T256 E257L248-V253 HydrophobicContact CB-CG2 4.14Å; P249-V253 PolarHBondContact O-N 2.93Å; D250-V253 PolarHBondContact O-N 3.25Å; V253-L255 VanDerWaalsContact C-N 3.29Å; V253-L255 PolarHBondContact O-N 3.36Å; V253-T256 PolarHBondContact O-N 3Å; V253-T256 VanDerWaalsContact O-N 3.09Å; V253-E257 WeakPolarHBondContact O-CG 3.46Å; V253-E257 PolarHBondContact O-N 3.04Å
254F95.4Very high91.6Very high31 Ų3148.3 Ų48.314%0.13628%0.275CS..Hα-helixtrans-60.1-37.2177.6-171.2-91.1000112.7D250 Q252 T258 R277 E280 L281D250-F254 VanDerWaalsContact O-CB 3.3Å; D250-F254 WeakPolarHBondContact O-CB 3.3Å; D250-F254 PolarHBondContact O-N 3.28Å; Q252-F254 VanDerWaalsContact C-N 3.33Å; F254-T258 WeakPolarHBondContact O-CB 3.5Å; F254-T258 PolarHBondContact O-N 3.37Å; F254-T258 PolarHBondContact O-OG1 3.28Å; F254-R277 VanDerWaalsContact CD2-NH2 3.29Å; F254-R277 HydrophobicContact CE1-CB 3.64Å; F254-R277 HydrophobicContact CE1-CG 4.24Å; F254-R277 WeakPolarHBondContact CE1-O 3.29Å; F254-R277 VanDerWaalsContact CE2-CZ 3.44Å; F254-R277 HydrophobicContact CZ-CB 3.61Å; F254-R277 HydrophobicContact CZ-CG 3.74Å; F254-R277 PolarHBondContact O-NH2 3.36Å; F254-E280 HydrophobicContact CZ-CB 4.39Å; F254-E280 WeakPolarHBondContact CZ-OE2 3.27Å; F254-L281 HydrophobicContact CD1-CD1 3.9Å; F254-L281 HydrophobicContact CD1-CD2 3.64Å; F254-L281 HydrophobicContact CD1-CG 3.71Å; F254-L281 HydrophobicContact CE1-CD1 4.05Å; F254-L281 HydrophobicContact CE1-CD2 4.18Å; F254-L281 HydrophobicContact CE1-CG 3.77Å; F254-L281 HydrophobicContact CG-CD2 4.44Å
255L94.6Very high92Very high1 Ų152.2 Ų52.21%0.00529%0.293CS..Hα-helixtrans-67.2-42.2173.1-81.1178.5000112.6W251 Q252 V253 T258 A259 L281 I291 L295W251-L255 HydrophobicContact CE3-CD1 3.49Å; W251-L255 VanDerWaalsContact CE3-CD1 3.49Å; W251-L255 HydrophobicContact CE3-CG 4.33Å; W251-L255 HydrophobicContact CZ3-CD1 3.48Å; W251-L255 VanDerWaalsContact CZ3-CD1 3.48Å; W251-L255 WeakPolarHBondContact O-CB 3.28Å; W251-L255 VanDerWaalsContact O-CG 3.29Å; W251-L255 WeakPolarHBondContact O-CG 3.48Å; W251-L255 PolarHBondContact O-N 3.48Å; Q252-L255 WeakPolarHBondContact O-CB 3.42Å; Q252-L255 PolarHBondContact O-N 3.36Å; V253-L255 VanDerWaalsContact C-N 3.29Å; V253-L255 PolarHBondContact O-N 3.36Å; L255-T258 WeakPolarHBondContact O-CB 3.45Å; L255-T258 PolarHBondContact O-N 2.93Å; L255-A259 WeakPolarHBondContact O-CB 3.27Å; L255-A259 PolarHBondContact O-N 3.46Å; L255-L281 HydrophobicContact CD2-CD1 3.44Å; L255-L281 VanDerWaalsContact CD2-CD1 3.44Å; L255-L281 HydrophobicContact CG-CD1 4.05Å; L255-I291 HydrophobicContact CD2-CG2 4.13Å; L255-L295 HydrophobicContact CD2-CD2 3.8Å; L255-L295 HydrophobicContact CD2-CG 3.91Å
256T94.1Very high92.2Very high56 Ų5650.7 Ų50.734%0.34428%0.278SS..Hα-helixtrans-62.5-45.7176.3-60.70000110.8Q252 V253 T258 A259 S260 N298Q252-T256 PolarHBondContact O-N 2.86Å; Q252-T256 PolarHBondContact O-OG1 3.03Å; V253-T256 PolarHBondContact O-N 3Å; V253-T256 VanDerWaalsContact O-N 3.09Å; T256-T258 VanDerWaalsContact C-N 3.31Å; T256-T258 PolarHBondContact O-N 3.48Å; T256-A259 PolarHBondContact O-N 3.17Å; T256-S260 PolarHBondContact O-N 3Å; T256-S260 PolarHBondContact O-OG 3.05Å; T256-S260 VanDerWaalsContact O-OG 3.14Å; T256-N298 PolarHBondContact OG1-OD1 3.01Å
257E95.3Very high92.5Very high99 Ų9950.3 Ų50.346%0.46328%0.277SS..Hα-helixtrans-59.4-41.4172.8-70.8172.5-177.200112.4V253 A259 S260 A261 R277V253-E257 WeakPolarHBondContact O-CG 3.46Å; V253-E257 PolarHBondContact O-N 3.04Å; E257-A259 VanDerWaalsContact C-N 3.34Å; E257-S260 PolarHBondContact O-N 3.49Å; E257-A261 WeakPolarHBondContact O-CB 3.29Å; E257-A261 PolarHBondContact O-N 3.04Å; E257-R277 IonicContact OE2-CZ 2.77Å; E257-R277 IonicContact OE2-NH2 2.84Å; E257-R277 PolarHBondContact OE2-NH2 3.45Å
258T95Very high92.8Very high0 Ų050.6 Ų50.60%029%0.287CS..Hα-helixtrans-63.3-42.6177-55.40000110.6F254 L255 T256 A261 I262 V274 R277 L295F254-T258 WeakPolarHBondContact O-CB 3.5Å; F254-T258 PolarHBondContact O-N 3.37Å; F254-T258 PolarHBondContact O-OG1 3.28Å; L255-T258 WeakPolarHBondContact O-CB 3.45Å; L255-T258 PolarHBondContact O-N 2.93Å; T256-T258 VanDerWaalsContact C-N 3.31Å; T256-T258 PolarHBondContact O-N 3.48Å; T258-A261 WeakPolarHBondContact O-CB 3.3Å; T258-A261 PolarHBondContact O-N 3.3Å; T258-I262 HydrophobicContact CG2-CD1 4.32Å; T258-I262 VanDerWaalsContact O-CG1 3.27Å; T258-I262 WeakPolarHBondContact O-CG1 3.35Å; T258-I262 PolarHBondContact O-N 3.05Å; T258-V274 HydrophobicContact CG2-CG1 3.84Å; T258-R277 HydrophobicContact CG2-CB 4.45Å; T258-R277 PolarHBondContact OG1-NE 3.46Å; T258-R277 PolarHBondContact OG1-NH2 3.17Å; T258-L295 HydrophobicContact CG2-CD2 4.31Å
259A94.5Very high93.1Very high3 Ų356.2 Ų56.23%0.02531%0.309CS..Hα-helixtrans-63.5-42.7175.600000111.9L255 T256 E257 A261 I262 L263 N298 L299L255-A259 WeakPolarHBondContact O-CB 3.27Å; L255-A259 PolarHBondContact O-N 3.46Å; T256-A259 PolarHBondContact O-N 3.17Å; E257-A259 VanDerWaalsContact C-N 3.34Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3.31Å; A259-I262 PolarHBondContact O-N 3.47Å; A259-L263 WeakPolarHBondContact O-CG 3.42Å; A259-L263 PolarHBondContact O-N 3.12Å; A259-L263 VanDerWaalsContact O-N 3.12Å; A259-N298 HydrophobicContact CB-CB 3.6Å; A259-L299 HydrophobicContact CB-CD2 3.98Å; A259-L299 HydrophobicContact CB-CG 4.28Å
260S94.5Very high93.2Very high67 Ų6755.9 Ų55.947%0.46930%0.304SS..Hα-helixtrans-60.8-39.5173-58.40000112T256 E257 I262 L263 A264T256-S260 PolarHBondContact O-N 3Å; T256-S260 PolarHBondContact O-OG 3.05Å; T256-S260 VanDerWaalsContact O-OG 3.14Å; E257-S260 PolarHBondContact O-N 3.49Å; S260-I262 VanDerWaalsContact C-N 3.34Å; S260-I262 PolarHBondContact O-N 2.99Å; S260-L263 PolarHBondContact O-N 3.46Å; S260-A264 WeakPolarHBondContact O-CB 3.33Å; S260-A264 PolarHBondContact O-N 3.39Å
261A93.9Very high93.4Very high16 Ų1650.6 Ų50.613%0.13228%0.276CS..Hα-helixtrans-65.8-34.4176.600000113E257 T258 A259 K270E257-A261 WeakPolarHBondContact O-CB 3.29Å; E257-A261 PolarHBondContact O-N 3.04Å; T258-A261 WeakPolarHBondContact O-CB 3.3Å; T258-A261 PolarHBondContact O-N 3.3Å; A259-A261 VanDerWaalsContact C-N 3.3Å; A259-A261 PolarHBondContact O-N 3.31Å; A261-K270 WeakPolarHBondContact O-CE 3.39Å
262I94Very high93.4Very high1 Ų152 Ų521%0.00529%0.288CS..Hα-helixtrans-67.3-38.7174.4-67.3165.9000111.2T258 A259 S260 Q266 V274 L295 L299 V336 F339 M340T258-I262 HydrophobicContact CG2-CD1 4.32Å; T258-I262 VanDerWaalsContact O-CG1 3.27Å; T258-I262 WeakPolarHBondContact O-CG1 3.35Å; T258-I262 PolarHBondContact O-N 3.05Å; A259-I262 PolarHBondContact O-N 3.47Å; S260-I262 VanDerWaalsContact C-N 3.34Å; S260-I262 PolarHBondContact O-N 2.99Å; I262-Q266 PolarHBondContact O-NE2 3.01Å; I262-V274 HydrophobicContact CD1-CG1 4.11Å; I262-V274 HydrophobicContact CG1-CG1 4.05Å; I262-V274 HydrophobicContact CG1-CG2 3.97Å; I262-L295 HydrophobicContact CD1-CD2 4.39Å; I262-L299 HydrophobicContact CB-CD2 4.44Å; I262-L299 HydrophobicContact CG2-CD2 4.28Å; I262-V336 HydrophobicContact CD1-CG1 4.1Å; I262-V336 HydrophobicContact CD1-CG2 3.99Å; I262-V336 HydrophobicContact CG1-CG1 4.12Å; I262-F339 HydrophobicContact CG2-CD1 3.6Å; I262-F339 HydrophobicContact CG2-CE1 3.75Å; I262-M340 HydrophobicContact CB-CE 4.05Å; I262-M340 HydrophobicContact CG1-CE 4Å; I262-M340 HydrophobicContact CG2-CE 3.9Å; I262-M340 HydrophobicContact CG2-CG 3.91Å
263L91.7Very high93.5Very high29 Ų2954.6 Ų54.615%0.15230%0.3CS..Hα-helixtrans-75.4-30179-66.9168.9000112.7A259 S260 Q266 L299 F339 Y343A259-L263 WeakPolarHBondContact O-CG 3.42Å; A259-L263 PolarHBondContact O-N 3.12Å; A259-L263 VanDerWaalsContact O-N 3.12Å; S260-L263 PolarHBondContact O-N 3.46Å; L263-Q266 PolarHBondContact O-NE2 3.42Å; L263-L299 HydrophobicContact CD1-CD2 4.22Å; L263-L299 HydrophobicContact CD2-CD2 4.14Å; L263-L299 HydrophobicContact CG-CD2 3.93Å; L263-F339 HydrophobicContact CD2-CE1 4.04Å; L263-F339 HydrophobicContact CD2-CZ 4.02Å; L263-Y343 HydrophobicContact CD2-CD1 4.35Å; L263-Y343 HydrophobicContact CD2-CD2 4.34Å; L263-Y343 HydrophobicContact CD2-CE1 3.9Å; L263-Y343 HydrophobicContact CD2-CE2 3.93Å
264A91.5Very high93.6Very high82 Ų8251.8 Ų51.868%0.67828%0.283SS*.Hα-helixtrans-68.7-41.6-177.900000113.8S260S260-A264 WeakPolarHBondContact O-CB 3.33Å; S260-A264 PolarHBondContact O-N 3.39Å
265E90.7Very high93.6Very high95 Ų9553.4 Ų53.444%0.44429%0.288SS..  trans-147.5128-176.7-171.3-172.9163.300111.9S267 K270E265-S267 VanDerWaalsContact CD-OG 3.3Å; E265-S267 WeakPolarHBondContact OE1-CB 3.47Å; E265-S267 PolarHBondContact OE1-OG 3.4Å; E265-K270 HydrophobicContact CB-CB 4.37Å; E265-K270 HydrophobicContact CB-CG 4.22Å; E265-K270 HydrophobicContact CG-CB 4.45Å; E265-K270 WeakPolarHBondContact O-CG 3.21Å
266Q89.3Confident93.7Very high42 Ų4258 Ų5820%0.19631%0.313CS..  trans-103.345.4179.2-60.373.54400111.8I262 L263 M340 Y343 K344I262-Q266 PolarHBondContact O-NE2 3.01Å; L263-Q266 PolarHBondContact O-NE2 3.42Å; Q266-M340 HydrophobicContact CB-CB 4.19Å; Q266-M340 HydrophobicContact CB-CG 4.49Å; Q266-M340 HydrophobicContact CG-CB 4.12Å; Q266-M340 HydrophobicContact CG-CG 4.21Å; Q266-Y343 HydrophobicContact CG-CD1 4.08Å; Q266-K344 HydrophobicContact CB-CB 4.09Å; Q266-K344 HydrophobicContact CB-CG 4.49Å; Q266-K344 HydrophobicContact CG-CB 4.31Å
267S92Very high93.8Very high22 Ų2257.7 Ų57.715%0.15431%0.305CS..  trans-98.6154.9179.781.40000113E265 K269 K270 I271E265-S267 VanDerWaalsContact CD-OG 3.3Å; E265-S267 WeakPolarHBondContact OE1-CB 3.47Å; E265-S267 PolarHBondContact OE1-OG 3.4Å; S267-K269 PolarHBondContact O-N 2.95Å; S267-K270 PolarHBondContact O-N 3.27Å; S267-K270 PolarHBondContact OG-N 3.29Å; S267-I271 PolarHBondContact O-N 2.84Å; S267-I271 VanDerWaalsContact O-N 3.08Å
268P92.3Very high93.8Very high109 Ų10953 Ų5371%0.70828%0.284SS*.Hα-helixtrans-57.5-31.9173.6-25.835.1000113.9I271 L272P268-I271 PolarHBondContact O-N 3.2Å; P268-L272 PolarHBondContact O-N 2.85Å
269K94.3Very high93.8Very high178 Ų17857.4 Ų57.477%0.77430%0.301SS*.Hα-helixtrans-66-42.5175.5-68.5-177.2179.2178.20110.7S267 I271 L272 E273S267-K269 PolarHBondContact O-N 2.95Å; K269-I271 VanDerWaalsContact C-N 3.35Å; K269-I271 PolarHBondContact O-N 3.14Å; K269-L272 WeakPolarHBondContact O-CB 3.26Å; K269-L272 PolarHBondContact O-N 3.2Å; K269-E273 PolarHBondContact O-N 3.49Å
270K93.8Very high93.8Very high29 Ų2961.7 Ų61.713%0.12632%0.32CS..Hα-helixtrans-66.4-36.5178.3-162.968-178.3171.70112.5A261 E265 S267 L272 E273 V274 M340A261-K270 WeakPolarHBondContact O-CE 3.39Å; E265-K270 HydrophobicContact CB-CB 4.37Å; E265-K270 HydrophobicContact CB-CG 4.22Å; E265-K270 HydrophobicContact CG-CB 4.45Å; E265-K270 WeakPolarHBondContact O-CG 3.21Å; S267-K270 PolarHBondContact O-N 3.27Å; S267-K270 PolarHBondContact OG-N 3.29Å; K270-L272 VanDerWaalsContact C-N 3.27Å; K270-L272 PolarHBondContact O-N 2.85Å; K270-E273 WeakPolarHBondContact CD-OE2 3.26Å; K270-E273 IonicContact NZ-OE1 3.23Å; K270-E273 PolarHBondContact NZ-OE1 3.13Å; K270-E273 IonicContact NZ-OE2 3.72Å; K270-E273 PolarHBondContact NZ-OE2 3.5Å; K270-E273 WeakPolarHBondContact O-CB 3.47Å; K270-E273 PolarHBondContact O-N 3.2Å; K270-E273 VanDerWaalsContact O-N 3.16Å; K270-V274 HydrophobicContact CG-CG2 4.43Å; K270-V274 VanDerWaalsContact O-CG2 3.3Å; K270-V274 WeakPolarHBondContact O-CG2 3.36Å; K270-V274 PolarHBondContact O-N 3.38Å; K270-M340 HydrophobicContact CG-CE 4.35Å
271I94.6Very high93.9Very high32 Ų3258.7 Ų58.716%0.16430%0.299CS..Hα-helixtrans-55.7-43.7173.4-68.6163.7000111S267 P268 K269 E273 V274 R275 I337 M340S267-I271 PolarHBondContact O-N 2.84Å; S267-I271 VanDerWaalsContact O-N 3.08Å; P268-I271 PolarHBondContact O-N 3.2Å; K269-I271 VanDerWaalsContact C-N 3.35Å; K269-I271 PolarHBondContact O-N 3.14Å; I271-E273 PolarHBondContact O-N 3.49Å; I271-V274 PolarHBondContact O-N 3.13Å; I271-R275 WeakPolarHBondContact O-CB 3.41Å; I271-R275 PolarHBondContact O-N 2.89Å; I271-I337 HydrophobicContact CD1-CG1 4.04Å; I271-I337 HydrophobicContact CG1-CG1 4.35Å; I271-I337 HydrophobicContact CG2-CD1 4.05Å; I271-I337 HydrophobicContact CG2-CG1 3.72Å; I271-M340 HydrophobicContact CD1-SD 3.96Å; I271-M340 HydrophobicContact CG1-CE 4.29Å; I271-M340 HydrophobicContact CG1-SD 3.29Å; I271-M340 WeakPolarHBondContact CG1-SD 3.43Å
272L94.3Very high93.9Very high104 Ų10459.8 Ų59.855%0.54530%0.302SS..Hα-helixtrans-65.5-38.4179-171.365.9000112.3P268 K269 K270 R275 N276P268-L272 PolarHBondContact O-N 2.85Å; K269-L272 WeakPolarHBondContact O-CB 3.26Å; K269-L272 PolarHBondContact O-N 3.2Å; K270-L272 VanDerWaalsContact C-N 3.27Å; K270-L272 PolarHBondContact O-N 2.85Å; L272-R275 PolarHBondContact O-N 3.02Å; L272-N276 PolarHBondContact O-N 3.47Å; L272-N276 PolarHBondContact O-ND2 3.18Å
273E95.1Very high93.9Very high90 Ų9064.4 Ų64.442%0.42133%0.334SS..Hα-helixtrans-65-47.1174.4-169.3-166.814300111.5K269 K270 I271 R275 N276 R277K269-E273 PolarHBondContact O-N 3.49Å; K270-E273 WeakPolarHBondContact CD-OE2 3.26Å; K270-E273 IonicContact NZ-OE1 3.23Å; K270-E273 PolarHBondContact NZ-OE1 3.13Å; K270-E273 IonicContact NZ-OE2 3.72Å; K270-E273 PolarHBondContact NZ-OE2 3.5Å; K270-E273 WeakPolarHBondContact O-CB 3.47Å; K270-E273 PolarHBondContact O-N 3.2Å; K270-E273 VanDerWaalsContact O-N 3.16Å; I271-E273 PolarHBondContact O-N 3.49Å; E273-R275 VanDerWaalsContact C-N 3.3Å; E273-R275 PolarHBondContact O-N 3.14Å; E273-N276 WeakPolarHBondContact O-CB 3.36Å; E273-N276 PolarHBondContact O-N 3.32Å; E273-N276 VanDerWaalsContact O-N 3.13Å; E273-R277 PolarHBondContact O-N 2.98Å; E273-R277 VanDerWaalsContact O-N 3.13Å
274V95.4Very high94.1Very high1 Ų169 Ų691%0.00636%0.355CS..Hα-helixtrans-61.7-39.8177.2175.20000111T258 I262 K270 I271 N276 R277 L278 V336 M340T258-V274 HydrophobicContact CG2-CG1 3.84Å; I262-V274 HydrophobicContact CD1-CG1 4.11Å; I262-V274 HydrophobicContact CG1-CG1 4.05Å; I262-V274 HydrophobicContact CG1-CG2 3.97Å; K270-V274 HydrophobicContact CG-CG2 4.43Å; K270-V274 VanDerWaalsContact O-CG2 3.3Å; K270-V274 WeakPolarHBondContact O-CG2 3.36Å; K270-V274 PolarHBondContact O-N 3.38Å; I271-V274 PolarHBondContact O-N 3.13Å; V274-N276 VanDerWaalsContact C-N 3.31Å; V274-N276 PolarHBondContact O-N 3.28Å; V274-R277 WeakPolarHBondContact O-CB 3.46Å; V274-R277 PolarHBondContact O-N 3.25Å; V274-R277 VanDerWaalsContact O-N 3.14Å; V274-L278 HydrophobicContact CG1-CD1 4.26Å; V274-L278 HydrophobicContact CG1-CG 4.33Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.27Å; V274-V336 HydrophobicContact CG1-CG1 3.98Å; V274-V336 HydrophobicContact CG1-CG2 4.2Å; V274-M340 HydrophobicContact CG2-CE 4.27Å
275R95.3Very high94.1Very high66 Ų6670.5 Ų70.525%0.24936%0.359CS..Hα-helixtrans-56.5-43.9173.8176.6-173.6172.4126.83.7111.9I271 L272 E273 R277 L278 Y279 E333I271-R275 WeakPolarHBondContact O-CB 3.41Å; I271-R275 PolarHBondContact O-N 2.89Å; L272-R275 PolarHBondContact O-N 3.02Å; E273-R275 VanDerWaalsContact C-N 3.3Å; E273-R275 PolarHBondContact O-N 3.14Å; R275-R277 VanDerWaalsContact C-N 3.33Å; R275-R277 PolarHBondContact O-N 2.88Å; R275-L278 PolarHBondContact O-N 3.4Å; R275-Y279 HydrophobicContact CG-CD2 4.01Å; R275-Y279 HydrophobicContact CG-CE2 4.03Å; R275-Y279 WeakPolarHBondContact O-CD2 3.45Å; R275-Y279 PolarHBondContact O-N 2.77Å; R275-E333 WeakPolarHBondContact CD-OE1 3.22Å; R275-E333 IonicContact CZ-OE1 2.92Å; R275-E333 IonicContact CZ-OE2 2.97Å; R275-E333 IonicContact NH1-OE1 3.93Å; R275-E333 PolarHBondContact NH1-OE1 2.91Å; R275-E333 IonicContact NH1-OE2 3.95Å; R275-E333 PolarHBondContact NH1-OE2 3.4Å
276N96Very high94.3Very high98 Ų9867 Ų6752%0.52434%0.343SS..Hα-helixtrans-63.4-40.1177.2-68.9-23.6000111.7L272 E273 V274 L278 Y279 E280L272-N276 PolarHBondContact O-N 3.47Å; L272-N276 PolarHBondContact O-ND2 3.18Å; E273-N276 WeakPolarHBondContact O-CB 3.36Å; E273-N276 PolarHBondContact O-N 3.32Å; E273-N276 VanDerWaalsContact O-N 3.13Å; V274-N276 VanDerWaalsContact C-N 3.31Å; V274-N276 PolarHBondContact O-N 3.28Å; N276-L278 PolarHBondContact O-N 2.97Å; N276-Y279 WeakPolarHBondContact O-CB 3.5Å; N276-Y279 PolarHBondContact O-N 3.33Å; N276-E280 PolarHBondContact O-N 2.98Å
277R95.4Very high94.4Very high48 Ų4868.2 Ų68.218%0.18135%0.354CS..Hα-helixtrans-61.9-42173.8-66.5-177.167.693.1-4.3112.1F254 E257 T258 E273 V274 R275 Y279 E280 L281F254-R277 VanDerWaalsContact CD2-NH2 3.29Å; F254-R277 HydrophobicContact CE1-CB 3.64Å; F254-R277 HydrophobicContact CE1-CG 4.24Å; F254-R277 WeakPolarHBondContact CE1-O 3.29Å; F254-R277 VanDerWaalsContact CE2-CZ 3.44Å; F254-R277 HydrophobicContact CZ-CB 3.61Å; F254-R277 HydrophobicContact CZ-CG 3.74Å; F254-R277 PolarHBondContact O-NH2 3.36Å; E257-R277 IonicContact OE2-CZ 2.77Å; E257-R277 IonicContact OE2-NH2 2.84Å; E257-R277 PolarHBondContact OE2-NH2 3.45Å; T258-R277 HydrophobicContact CG2-CB 4.45Å; T258-R277 PolarHBondContact OG1-NE 3.46Å; T258-R277 PolarHBondContact OG1-NH2 3.17Å; E273-R277 PolarHBondContact O-N 2.98Å; E273-R277 VanDerWaalsContact O-N 3.13Å; V274-R277 WeakPolarHBondContact O-CB 3.46Å; V274-R277 PolarHBondContact O-N 3.25Å; V274-R277 VanDerWaalsContact O-N 3.14Å; R275-R277 VanDerWaalsContact C-N 3.33Å; R275-R277 PolarHBondContact O-N 2.88Å; R277-Y279 VanDerWaalsContact C-N 3.34Å; R277-Y279 PolarHBondContact O-N 2.89Å; R277-E280 WeakPolarHBondContact O-CB 3.38Å; R277-E280 PolarHBondContact O-N 3.48Å; R277-L281 PolarHBondContact O-N 3.43Å; R277-L281 VanDerWaalsContact O-N 3.17Å
278L95.5Very high94.5Very high1 Ų168.8 Ų68.81%0.00536%0.357CS..Hα-helixtrans-64.6-38.4175.2-65.1174.2000112.1V274 R275 N276 E280 L281 L282 I291 L295 I329 L332 V336V274-L278 HydrophobicContact CG1-CD1 4.26Å; V274-L278 HydrophobicContact CG1-CG 4.33Å; V274-L278 WeakPolarHBondContact O-CG 3.47Å; V274-L278 PolarHBondContact O-N 3.27Å; R275-L278 PolarHBondContact O-N 3.4Å; N276-L278 PolarHBondContact O-N 2.97Å; L278-E280 VanDerWaalsContact C-N 3.33Å; L278-L281 HydrophobicContact CD2-CD1 4.48Å; L278-L281 PolarHBondContact O-N 2.96Å; L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.28Å; L278-L282 VanDerWaalsContact O-N 3.13Å; L278-I291 HydrophobicContact CD2-CG2 3.99Å; L278-L295 HydrophobicContact CD2-CD1 3.83Å; L278-I329 HydrophobicContact CB-CD1 4.03Å; L278-L332 HydrophobicContact CD1-CB 3.97Å; L278-V336 HydrophobicContact CD1-CG2 4.13Å
279Y95.1Very high94.5Very high93 Ų9366.5 Ų66.537%0.36534%0.339SS..Hα-helixtrans-61.4-42.3173.1-95.9-70.4000112.2R275 N276 R277 L281 L282 C283 I329R275-Y279 HydrophobicContact CG-CD2 4.01Å; R275-Y279 HydrophobicContact CG-CE2 4.03Å; R275-Y279 WeakPolarHBondContact O-CD2 3.45Å; R275-Y279 PolarHBondContact O-N 2.77Å; N276-Y279 WeakPolarHBondContact O-CB 3.5Å; N276-Y279 PolarHBondContact O-N 3.33Å; R277-Y279 VanDerWaalsContact C-N 3.34Å; R277-Y279 PolarHBondContact O-N 2.89Å; Y279-L281 VanDerWaalsContact C-N 3.35Å; Y279-L281 PolarHBondContact O-N 3.43Å; Y279-L282 PolarHBondContact O-N 3.3Å; Y279-C283 PolarHBondContact O-N 2.88Å; Y279-C283 PolarHBondContact O-SG 2.8Å; Y279-I329 HydrophobicContact CD1-CD1 4.48Å; Y279-I329 HydrophobicContact CD2-CD1 3.72Å; Y279-I329 HydrophobicContact CD2-CG1 4.06Å; Y279-I329 HydrophobicContact CE1-CB 4.45Å; Y279-I329 HydrophobicContact CE1-CD1 4.48Å; Y279-I329 HydrophobicContact CE1-CG1 4.19Å; Y279-I329 HydrophobicContact CE2-CD1 3.71Å; Y279-I329 HydrophobicContact CE2-CG1 3.49Å; Y279-I329 VanDerWaalsContact CE2-CG1 3.49Å; Y279-I329 HydrophobicContact CG-CD1 4.12Å
280E95.8Very high94.5Very high92 Ų9261.6 Ų61.643%0.4332%0.32SS..Hα-helixtrans-58.6-46.2177.2-173.4175.9175.900111.3F254 N276 R277 L278 L282 C283 H284F254-E280 HydrophobicContact CZ-CB 4.39Å; F254-E280 WeakPolarHBondContact CZ-OE2 3.27Å; N276-E280 PolarHBondContact O-N 2.98Å; R277-E280 WeakPolarHBondContact O-CB 3.38Å; R277-E280 PolarHBondContact O-N 3.48Å; L278-E280 VanDerWaalsContact C-N 3.33Å; E280-L282 VanDerWaalsContact C-N 3.32Å; E280-L282 PolarHBondContact O-N 3.32Å; E280-C283 WeakPolarHBondContact O-CB 3.26Å; E280-C283 PolarHBondContact O-N 3.33Å; E280-C283 VanDerWaalsContact O-N 3.16Å; E280-H284 PolarHBondContact O-N 3.07Å; E280-H284 VanDerWaalsContact O-N 3.09Å; E280-H284 PolarHBondContact O-ND1 2.92Å; E280-H284 IonicContact OE1-CE1 2.78Å
281L95Very high94.6Very high5 Ų560.2 Ų60.23%0.02631%0.314CS..Hα-helixtrans-60.7-39.7176.1-69.7168.4000113W251 F254 L255 R277 L278 Y279 H284 I286 I291W251-L281 HydrophobicContact CB-CD2 4.1Å; F254-L281 HydrophobicContact CD1-CD1 3.9Å; F254-L281 HydrophobicContact CD1-CD2 3.64Å; F254-L281 HydrophobicContact CD1-CG 3.71Å; F254-L281 HydrophobicContact CE1-CD1 4.05Å; F254-L281 HydrophobicContact CE1-CD2 4.18Å; F254-L281 HydrophobicContact CE1-CG 3.77Å; F254-L281 HydrophobicContact CG-CD2 4.44Å; L255-L281 HydrophobicContact CD2-CD1 3.44Å; L255-L281 VanDerWaalsContact CD2-CD1 3.44Å; L255-L281 HydrophobicContact CG-CD1 4.05Å; R277-L281 PolarHBondContact O-N 3.43Å; R277-L281 VanDerWaalsContact O-N 3.17Å; L278-L281 HydrophobicContact CD2-CD1 4.48Å; L278-L281 PolarHBondContact O-N 2.96Å; Y279-L281 VanDerWaalsContact C-N 3.35Å; Y279-L281 PolarHBondContact O-N 3.43Å; L281-H284 PolarHBondContact O-N 3.16Å; L281-I286 HydrophobicContact CB-CD1 4.21Å; L281-I286 HydrophobicContact CD2-CD1 3.48Å; L281-I286 VanDerWaalsContact CD2-CD1 3.48Å; L281-I286 HydrophobicContact CG-CD1 4.48Å; L281-I286 PolarHBondContact O-N 3.17Å; L281-I291 HydrophobicContact CB-CD1 3.64Å; L281-I291 HydrophobicContact CB-CG1 4.3Å; L281-I291 HydrophobicContact CD1-CD1 4.46Å; L281-I291 HydrophobicContact CD1-CG1 4.42Å; L281-I291 HydrophobicContact CD1-CG2 4.29Å
282L94.4Very high94.6Very high38 Ų3858.8 Ų58.820%0.19931%0.307CS..Hα-helixtrans-68.6-35.2176.3-67.8175.1000112.1L278 Y279 E280 H284 C285 P288 I291 P328 I329 L332L278-L282 WeakPolarHBondContact O-CG 3.36Å; L278-L282 PolarHBondContact O-N 3.28Å; L278-L282 VanDerWaalsContact O-N 3.13Å; Y279-L282 PolarHBondContact O-N 3.3Å; E280-L282 VanDerWaalsContact C-N 3.32Å; E280-L282 PolarHBondContact O-N 3.32Å; L282-H284 VanDerWaalsContact C-N 3.27Å; L282-H284 PolarHBondContact O-N 2.92Å; L282-C285 PolarHBondContact O-N 2.94Å; L282-C285 VanDerWaalsContact O-N 3.1Å; L282-P288 HydrophobicContact CD2-CB 4.1Å; L282-I291 HydrophobicContact CD2-CD1 3.76Å; L282-I291 HydrophobicContact CG-CD1 4.23Å; L282-P328 HydrophobicContact CD1-CG 4.24Å; L282-P328 HydrophobicContact CD2-CG 4.29Å; L282-I329 HydrophobicContact CD1-CB 4.12Å; L282-I329 HydrophobicContact CD1-CD1 4.14Å; L282-L332 HydrophobicContact CD1-CD1 4.36Å; L282-L332 HydrophobicContact CD2-CD1 4.41Å
283C95.4Very high94.5Very high99 Ų9961.8 Ų61.867%0.66931%0.311SS*.Hα-helixtrans-64.6-33.4174.7-66.70000111.8Y279 E280 C285Y279-C283 PolarHBondContact O-N 2.88Å; Y279-C283 PolarHBondContact O-SG 2.8Å; E280-C283 WeakPolarHBondContact O-CB 3.26Å; E280-C283 PolarHBondContact O-N 3.33Å; E280-C283 VanDerWaalsContact O-N 3.16Å; C283-C285 PolarHBondContact O-N 3.45Å
284H94.4Very high94.5Very high126 Ų12658.1 Ų58.158%0.58330%0.298SS*.THydrogen-bonded Turntrans-76.913.4173.4-6893.9000113.9E280 L281 L282 I286E280-H284 PolarHBondContact O-N 3.07Å; E280-H284 VanDerWaalsContact O-N 3.09Å; E280-H284 PolarHBondContact O-ND1 2.92Å; E280-H284 IonicContact OE1-CE1 2.78Å; L281-H284 PolarHBondContact O-N 3.16Å; L282-H284 VanDerWaalsContact C-N 3.27Å; L282-H284 PolarHBondContact O-N 2.92Å; H284-I286 HydrophobicContact CB-CD1 4.28Å; H284-I286 HydrophobicContact CB-CG1 4.36Å; H284-I286 PolarHBondContact O-N 3.46Å
285C92Very high94.4Very high113 Ų11358 Ų5876%0.76430%0.297SS*.THydrogen-bonded Turntrans58.628.2177.9-62.10000114.2L282 C283 P287L282-C285 PolarHBondContact O-N 2.94Å; L282-C285 VanDerWaalsContact O-N 3.1Å; C283-C285 PolarHBondContact O-N 3.45Å; C285-P287 WeakPolarHBondContact O-CD 3.37Å
286I94.4Very high94.4Very high22 Ų2255.9 Ų55.911%0.11329%0.291CS..  trans-77.7125174.3-58.3163.3000108.1W251 L281 H284 I290 I291W251-I286 HydrophobicContact CB-CD1 3.33Å; W251-I286 HydrophobicContact CB-CG1 4.44Å; W251-I286 HydrophobicContact CG-CD1 3.92Å; L281-I286 HydrophobicContact CB-CD1 4.21Å; L281-I286 HydrophobicContact CD2-CD1 3.48Å; L281-I286 VanDerWaalsContact CD2-CD1 3.48Å; L281-I286 HydrophobicContact CG-CD1 4.48Å; L281-I286 PolarHBondContact O-N 3.17Å; H284-I286 HydrophobicContact CB-CD1 4.28Å; H284-I286 HydrophobicContact CB-CG1 4.36Å; H284-I286 PolarHBondContact O-N 3.46Å; I286-I290 HydrophobicContact CG2-CB 4.39Å; I286-I290 HydrophobicContact CG2-CG2 4.38Å; I286-I291 HydrophobicContact CB-CD1 4.21Å; I286-I291 HydrophobicContact CB-CG1 4.26Å; I286-I291 HydrophobicContact CG2-CD1 4.23Å; I286-I291 HydrophobicContact CG2-CG1 3.73Å
287P92.8Very high94.3Very high66 Ų6654.8 Ų54.843%0.42929%0.286SS..  trans-55.5133.3179.5-26.433.5000111.4C285 N289 I290 I291C285-P287 WeakPolarHBondContact O-CD 3.37Å; P287-N289 PolarHBondContact O-N 2.86Å; P287-N289 VanDerWaalsContact O-N 3.14Å; P287-I290 HydrophobicContact CB-CD1 4.15Å; P287-I290 HydrophobicContact CB-CG1 4.15Å; P287-I290 HydrophobicContact CG-CD1 3.89Å; P287-I290 HydrophobicContact CG-CG1 4.43Å; P287-I290 WeakPolarHBondContact O-CB 3.38Å; P287-I290 PolarHBondContact O-N 3.32Å; P287-I291 PolarHBondContact O-N 2.91Å
288P93.9Very high94.2Very high35 Ų3554 Ų5423%0.22729%0.285CS..Hα-helixtrans-64.5-25.7-175.128.9-37.7000112.3L282 I290 I291 M292 L322 P328 L332L282-P288 HydrophobicContact CD2-CB 4.1Å; P288-I290 VanDerWaalsContact C-N 3.32Å; P288-I290 PolarHBondContact O-N 3.35Å; P288-I291 PolarHBondContact O-N 3.46Å; P288-M292 WeakPolarHBondContact O-CB 3.31Å; P288-M292 PolarHBondContact O-N 2.88Å; P288-L322 HydrophobicContact CB-CD1 3.95Å; P288-L322 HydrophobicContact CB-CD2 3.9Å; P288-L322 HydrophobicContact CB-CG 4.41Å; P288-L322 HydrophobicContact CG-CD1 4.22Å; P288-L322 HydrophobicContact CG-CD2 4.33Å; P288-P328 HydrophobicContact CB-CB 3.67Å; P288-P328 HydrophobicContact CG-CB 3.9Å; P288-L332 HydrophobicContact CB-CD1 4.46Å
289N92.1Very high94.1Very high60 Ų6053.9 Ų53.932%0.32128%0.284SS..Hα-helixtrans-64.8-35.8173.4-66.8-16.1000112.2P287 R293 L322 N323P287-N289 PolarHBondContact O-N 2.86Å; P287-N289 VanDerWaalsContact O-N 3.14Å; N289-R293 VanDerWaalsContact O-CB 3.3Å; N289-R293 WeakPolarHBondContact O-CB 3.18Å; N289-R293 PolarHBondContact O-N 2.88Å; N289-L322 VanDerWaalsContact OD1-CD2 3.28Å; N289-L322 WeakPolarHBondContact OD1-CD2 3.32Å; N289-N323 PolarHBondContact ND2-OD1 3.1Å; N289-N323 VanDerWaalsContact ND2-OD1 3.08Å; N289-N323 PolarHBondContact OD1-OD1 3.16Å
290I93.1Very high94Very high75 Ų7550.9 Ų50.939%0.38527%0.274SS..Hα-helixtrans-72.3-40.6176-62.6179.4000110W251 I286 P287 P288 G294W251-I290 HydrophobicContact CH2-CG2 3.53Å; W251-I290 HydrophobicContact CZ2-CG2 4.3Å; W251-I290 HydrophobicContact CZ3-CG2 3.63Å; I286-I290 HydrophobicContact CG2-CB 4.39Å; I286-I290 HydrophobicContact CG2-CG2 4.38Å; P287-I290 HydrophobicContact CB-CD1 4.15Å; P287-I290 HydrophobicContact CB-CG1 4.15Å; P287-I290 HydrophobicContact CG-CD1 3.89Å; P287-I290 HydrophobicContact CG-CG1 4.43Å; P287-I290 WeakPolarHBondContact O-CB 3.38Å; P287-I290 PolarHBondContact O-N 3.32Å; P288-I290 VanDerWaalsContact C-N 3.32Å; P288-I290 PolarHBondContact O-N 3.35Å; I290-G294 PolarHBondContact O-N 3.47Å
291I95.8Very high93.7Very high0 Ų052.7 Ų52.70%029%0.287CS..Hα-helixtrans-59.1-51.1174.5-64.2172.2000110.1L255 L278 L281 L282 I286 P287 P288 R293 G294 L295 L332L255-I291 HydrophobicContact CD2-CG2 4.13Å; L278-I291 HydrophobicContact CD2-CG2 3.99Å; L281-I291 HydrophobicContact CB-CD1 3.64Å; L281-I291 HydrophobicContact CB-CG1 4.3Å; L281-I291 HydrophobicContact CD1-CD1 4.46Å; L281-I291 HydrophobicContact CD1-CG1 4.42Å; L281-I291 HydrophobicContact CD1-CG2 4.29Å; L282-I291 HydrophobicContact CD2-CD1 3.76Å; L282-I291 HydrophobicContact CG-CD1 4.23Å; I286-I291 HydrophobicContact CB-CD1 4.21Å; I286-I291 HydrophobicContact CB-CG1 4.26Å; I286-I291 HydrophobicContact CG2-CD1 4.23Å; I286-I291 HydrophobicContact CG2-CG1 3.73Å; P287-I291 PolarHBondContact O-N 2.91Å; P288-I291 PolarHBondContact O-N 3.46Å; I291-R293 PolarHBondContact O-N 3.35Å; I291-G294 PolarHBondContact O-N 3.46Å; I291-L295 HydrophobicContact CG2-CD1 4.06Å; I291-L295 HydrophobicContact CG2-CG 4.49Å; I291-L295 WeakPolarHBondContact O-CG 3.23Å; I291-L295 PolarHBondContact O-N 2.96Å; I291-L332 HydrophobicContact CG2-CD1 4.03Å; I291-L332 HydrophobicContact CG2-CD2 4.16Å
292M94.8Very high93.4Very high2 Ų256.1 Ų56.11%0.0131%0.311CS..Hα-helixtrans-58.6-50.6-179.6-172.167-169.800111.4P288 G294 L295 V296 G315 E319 L322 L332 F335P288-M292 WeakPolarHBondContact O-CB 3.31Å; P288-M292 PolarHBondContact O-N 2.88Å; M292-G294 PolarHBondContact O-N 2.82Å; M292-L295 PolarHBondContact O-N 2.87Å; M292-V296 HydrophobicContact CE-CG2 4.14Å; M292-V296 WeakPolarHBondContact O-CG2 3.38Å; M292-V296 PolarHBondContact O-N 3.33Å; M292-G315 WeakPolarHBondContact CE-O 3.41Å; M292-E319 HydrophobicContact CG-CB 4.22Å; M292-L322 HydrophobicContact CB-CD2 4.3Å; M292-L332 HydrophobicContact CB-CD2 4.07Å; M292-L332 HydrophobicContact SD-CD2 3.91Å; M292-F335 HydrophobicContact CE-CB 3.94Å; M292-F335 HydrophobicContact CE-CD1 3.73Å; M292-F335 HydrophobicContact CE-CD2 3.3Å; M292-F335 HydrophobicContact CE-CE1 4.02Å; M292-F335 HydrophobicContact CE-CE2 3.61Å; M292-F335 HydrophobicContact CE-CG 3.36Å; M292-F335 HydrophobicContact CE-CZ 3.95Å; M292-F335 HydrophobicContact SD-CB 4.22Å; M292-F335 HydrophobicContact SD-CD1 3.82Å; M292-F335 HydrophobicContact SD-CD2 4.43Å; M292-F335 HydrophobicContact SD-CE1 4.28Å; M292-F335 HydrophobicContact SD-CG 3.9Å
293R93.6Very high93Very high167 Ų16754.6 Ų54.663%0.6330%0.304SS*.Hα-helixtrans-59.7-46.5177.1-174.7176.9-166.9161.57.7111.9N289 I291 L295 V296 D297N289-R293 VanDerWaalsContact O-CB 3.3Å; N289-R293 WeakPolarHBondContact O-CB 3.18Å; N289-R293 PolarHBondContact O-N 2.88Å; I291-R293 PolarHBondContact O-N 3.35Å; R293-L295 PolarHBondContact O-N 3.26Å; R293-V296 PolarHBondContact O-N 3.05Å; R293-D297 WeakPolarHBondContact O-CB 3.42Å; R293-D297 VanDerWaalsContact O-CG 3.29Å; R293-D297 PolarHBondContact O-N 2.89Å
294G93.3Very high92.5Very high13 Ų1354.4 Ų54.413%0.13430%0.296CS..Hα-helixtrans-63.5-37.5179.400000113.1I290 I291 M292 N298I290-G294 PolarHBondContact O-N 3.47Å; I291-G294 PolarHBondContact O-N 3.46Å; M292-G294 PolarHBondContact O-N 2.82Å; G294-N298 WeakPolarHBondContact O-CB 3.3Å; G294-N298 PolarHBondContact O-N 3.37Å; G294-N298 VanDerWaalsContact O-N 3.07Å; G294-N298 PolarHBondContact O-ND2 3.48Å
295L94.7Very high92.1Very high0 Ų058.6 Ų58.60%031%0.307CS..Hα-helixtrans-66-48.5173.6-72.8172.4000111.4L255 T258 I262 L278 I291 M292 R293 D297 N298 L299 F335L255-L295 HydrophobicContact CD2-CD2 3.8Å; L255-L295 HydrophobicContact CD2-CG 3.91Å; T258-L295 HydrophobicContact CG2-CD2 4.31Å; I262-L295 HydrophobicContact CD1-CD2 4.39Å; L278-L295 HydrophobicContact CD2-CD1 3.83Å; I291-L295 HydrophobicContact CG2-CD1 4.06Å; I291-L295 HydrophobicContact CG2-CG 4.49Å; I291-L295 WeakPolarHBondContact O-CG 3.23Å; I291-L295 PolarHBondContact O-N 2.96Å; M292-L295 PolarHBondContact O-N 2.87Å; R293-L295 PolarHBondContact O-N 3.26Å; L295-D297 PolarHBondContact O-N 3.07Å; L295-N298 PolarHBondContact O-N 3.46Å; L295-L299 WeakPolarHBondContact O-CB 3.25Å; L295-L299 VanDerWaalsContact O-CG 3.23Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3.36Å; L295-F335 HydrophobicContact CB-CE1 4.21Å
296V95.1Very high91.9Very high20 Ų2058.6 Ų58.612%0.12130%0.299CS..Hα-helixtrans-59-47.6178.6171.90000110.5M292 R293 N298 L299 L300 F335M292-V296 HydrophobicContact CE-CG2 4.14Å; M292-V296 WeakPolarHBondContact O-CG2 3.38Å; M292-V296 PolarHBondContact O-N 3.33Å; R293-V296 PolarHBondContact O-N 3.05Å; V296-N298 PolarHBondContact O-N 3.46Å; V296-L299 PolarHBondContact O-N 3.38Å; V296-L300 HydrophobicContact CG1-CD1 3.63Å; V296-L300 HydrophobicContact CG1-CG 4.12Å; V296-L300 VanDerWaalsContact O-CB 3.3Å; V296-L300 WeakPolarHBondContact O-CB 3.32Å; V296-L300 WeakPolarHBondContact O-CG 3.23Å; V296-L300 PolarHBondContact O-N 3.43Å; V296-F335 HydrophobicContact CG2-CE1 4.27Å; V296-F335 HydrophobicContact CG2-CE2 4.11Å; V296-F335 HydrophobicContact CG2-CZ 3.58Å
297D93.9Very high91.6Very high76 Ų7657.8 Ų57.841%0.40630%0.295SS..Hα-helixtrans-62.5-42.8-179.8-72.2-24.6000112R293 L295 N301R293-D297 WeakPolarHBondContact O-CB 3.42Å; R293-D297 VanDerWaalsContact O-CG 3.29Å; R293-D297 PolarHBondContact O-N 2.89Å; L295-D297 PolarHBondContact O-N 3.07Å; D297-N301 VanDerWaalsContact O-CG 3.29Å; D297-N301 PolarHBondContact O-N 2.94Å; D297-N301 PolarHBondContact O-ND2 2.97Å; D297-N301 VanDerWaalsContact O-ND2 3.16Å
298N93.7Very high91.6Very high30 Ų3058.4 Ų58.416%0.1629%0.291CS..Hα-helixtrans-66.2-44176.7-79.3-59.1000112.2T256 A259 G294 L295 V296 N301T256-N298 PolarHBondContact OG1-OD1 3.01Å; A259-N298 HydrophobicContact CB-CB 3.6Å; G294-N298 WeakPolarHBondContact O-CB 3.3Å; G294-N298 PolarHBondContact O-N 3.37Å; G294-N298 VanDerWaalsContact O-N 3.07Å; G294-N298 PolarHBondContact O-ND2 3.48Å; L295-N298 PolarHBondContact O-N 3.46Å; V296-N298 PolarHBondContact O-N 3.46Å; N298-N301 PolarHBondContact O-N 3.18Å
299L93.3Very high91.5Very high0 Ų062.9 Ų62.90%031%0.313CS..Hα-helixtrans-66.4-38.1178.4-68.4173.2000111.7A259 I262 L263 L295 V296 N301 S302 C303 L311 F335 F339A259-L299 HydrophobicContact CB-CD2 3.98Å; A259-L299 HydrophobicContact CB-CG 4.28Å; I262-L299 HydrophobicContact CB-CD2 4.44Å; I262-L299 HydrophobicContact CG2-CD2 4.28Å; L263-L299 HydrophobicContact CD1-CD2 4.22Å; L263-L299 HydrophobicContact CD2-CD2 4.14Å; L263-L299 HydrophobicContact CG-CD2 3.93Å; L295-L299 WeakPolarHBondContact O-CB 3.25Å; L295-L299 VanDerWaalsContact O-CG 3.23Å; L295-L299 WeakPolarHBondContact O-CG 3.42Å; L295-L299 PolarHBondContact O-N 3.36Å; V296-L299 PolarHBondContact O-N 3.38Å; L299-N301 VanDerWaalsContact C-N 3.25Å; L299-N301 PolarHBondContact O-N 3.28Å; L299-S302 PolarHBondContact O-N 3.3Å; L299-S302 VanDerWaalsContact O-N 3.17Å; L299-C303 WeakPolarHBondContact O-CB 3.46Å; L299-C303 PolarHBondContact O-N 3.12Å; L299-C303 PolarHBondContact O-SG 3.41Å; L299-L311 HydrophobicContact CB-CD1 4.5Å; L299-L311 HydrophobicContact CB-CD2 3.6Å; L299-L311 HydrophobicContact CD1-CD1 4.32Å; L299-F335 HydrophobicContact CD1-CE1 4.24Å; L299-F335 HydrophobicContact CD1-CZ 4.26Å; L299-F339 HydrophobicContact CB-CZ 4.39Å; L299-F339 HydrophobicContact CD1-CD1 3.85Å; L299-F339 HydrophobicContact CD1-CE1 3.87Å; L299-F339 HydrophobicContact CD1-CG 4.2Å; L299-F339 HydrophobicContact CD1-CZ 4.23Å; L299-F339 HydrophobicContact CD2-CD1 4.38Å; L299-F339 HydrophobicContact CD2-CE1 3.67Å; L299-F339 HydrophobicContact CD2-CZ 4.06Å; L299-F339 HydrophobicContact CG-CE1 4.28Å; L299-F339 HydrophobicContact CG-CZ 4.46Å
300L92.8Very high91.4Very high30 Ų3064.9 Ų64.916%0.15732%0.32CS..Hα-helixtrans-63.7-28.4177.2-78172.7000113.5V296 S302 K308 L311 V312V296-L300 HydrophobicContact CG1-CD1 3.63Å; V296-L300 HydrophobicContact CG1-CG 4.12Å; V296-L300 VanDerWaalsContact O-CB 3.3Å; V296-L300 WeakPolarHBondContact O-CB 3.32Å; V296-L300 WeakPolarHBondContact O-CG 3.23Å; V296-L300 PolarHBondContact O-N 3.43Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-K308 HydrophobicContact CD2-CB 3.8Å; L300-K308 HydrophobicContact CD2-CD 4.48Å; L300-K308 HydrophobicContact CD2-CG 3.78Å; L300-K308 WeakPolarHBondContact O-CE 3.36Å; L300-K308 PolarHBondContact O-NZ 3.35Å; L300-L311 HydrophobicContact CB-CD2 4.45Å; L300-L311 HydrophobicContact CD2-CB 4.33Å; L300-L311 HydrophobicContact CD2-CD2 3.66Å; L300-L311 HydrophobicContact CD2-CG 4.05Å; L300-L311 HydrophobicContact CG-CD2 3.74Å; L300-L311 HydrophobicContact CG-CG 4.29Å; L300-V312 HydrophobicContact CD1-CG2 4.02Å; L300-V312 HydrophobicContact CD2-CG2 3.89Å
301N90.2Very high91.5Very high129 Ų12961.4 Ų61.469%0.6930%0.302SS*.Hα-helixtrans-70.9-30.8177-70.6-28.6000112.1D297 N298 L299D297-N301 VanDerWaalsContact O-CG 3.29Å; D297-N301 PolarHBondContact O-N 2.94Å; D297-N301 PolarHBondContact O-ND2 2.97Å; D297-N301 VanDerWaalsContact O-ND2 3.16Å; N298-N301 PolarHBondContact O-N 3.18Å; L299-N301 VanDerWaalsContact C-N 3.25Å; L299-N301 PolarHBondContact O-N 3.28Å
302S87.3Confident91.4Very high77 Ų7765 Ų6554%0.53832%0.324SS..Hα-helixtrans-96.8-18.7-177.5-58.20000114.6L299 L300L299-S302 PolarHBondContact O-N 3.3Å; L299-S302 VanDerWaalsContact O-N 3.17Å; L300-S302 VanDerWaalsContact C-N 3.32Å
303C86.6Confident91.4Very high7 Ų771.7 Ų71.75%0.04736%0.355CS..SBendtrans-84.7158.7-177-68.10000114.2L299 L307 K308L299-C303 WeakPolarHBondContact O-CB 3.46Å; L299-C303 PolarHBondContact O-N 3.12Å; L299-C303 PolarHBondContact O-SG 3.41Å; C303-L307 HydrophobicContact CB-CB 4.1Å; C303-K308 HydrophobicContact CB-CG 4.38Å; C303-K308 WeakPolarHBondContact O-CE 3.44Å
304D85.1Confident91.5Very high95 Ų9564.6 Ų64.651%0.50833%0.33SS..  trans-77.2161.8173-73.7-46.6000113.9N306 L307 K308 Y346D304-N306 VanDerWaalsContact C-N 3.31Å; D304-N306 PolarHBondContact O-N 3.16Å; D304-L307 PolarHBondContact O-N 3.37Å; D304-L307 VanDerWaalsContact O-N 3.14Å; D304-K308 WeakPolarHBondContact O-CG 3.5Å; D304-K308 PolarHBondContact O-N 2.86Å; D304-Y346 PolarHBondContact OD2-OH 2.89Å
305R86.1Confident91.5Very high213 Ų21364.2 Ų64.280%0.80433%0.325SS*.Hα-helixtrans-54.3-39.1-173.1-171.3176.5-178.5177-0.4114.4K308R305-K308 PolarHBondContact O-N 3.37Å
306N86.4Confident91.5Very high113 Ų11366.9 Ų66.960%0.60435%0.348SS*.Hα-helixtrans-70.2-46.4-180-66.1-12.5000110.9D304 K308 L309D304-N306 VanDerWaalsContact C-N 3.31Å; D304-N306 PolarHBondContact O-N 3.16Å; N306-K308 VanDerWaalsContact C-N 3.26Å; N306-K308 PolarHBondContact O-N 3.49Å; N306-L309 PolarHBondContact O-N 2.89Å
307L89.1Confident91.6Very high5 Ų569.9 Ų69.93%0.02636%0.36CS..Hα-helixtrans-62.3-31.7175.3-77.3176.3000112.9C303 D304 L309 E310 L311 I342 Y343 Y346C303-L307 HydrophobicContact CB-CB 4.1Å; D304-L307 PolarHBondContact O-N 3.37Å; D304-L307 VanDerWaalsContact O-N 3.14Å; L307-L309 VanDerWaalsContact C-N 3.27Å; L307-L309 PolarHBondContact O-N 2.92Å; L307-E310 PolarHBondContact O-N 2.62Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 3.06Å; L307-I342 HydrophobicContact CD2-CG2 3.82Å; L307-Y343 HydrophobicContact CD1-CD2 3.68Å; L307-Y343 HydrophobicContact CD1-CE2 3.88Å; L307-Y346 HydrophobicContact CD1-CD1 3.33Å; L307-Y346 HydrophobicContact CD1-CD2 4.19Å; L307-Y346 HydrophobicContact CD1-CE1 3.61Å; L307-Y346 HydrophobicContact CD1-CE2 4.45Å; L307-Y346 HydrophobicContact CD1-CG 3.63Å; L307-Y346 HydrophobicContact CD2-CD1 4.38Å; L307-Y346 HydrophobicContact CD2-CD2 3.96Å; L307-Y346 HydrophobicContact CD2-CG 3.78Å; L307-Y346 HydrophobicContact CG-CD1 3.93Å; L307-Y346 HydrophobicContact CG-CD2 3.82Å; L307-Y346 HydrophobicContact CG-CE1 4.16Å; L307-Y346 HydrophobicContact CG-CE2 4.1Å; L307-Y346 HydrophobicContact CG-CG 3.73Å
308K92.5Very high91.6Very high79 Ų7967.7 Ų67.734%0.34335%0.346SS..Hα-helixtrans-59.1-38.1177.4-71.3-176.1-163.8-145.50112.2L300 C303 D304 R305 N306 V312L300-K308 HydrophobicContact CD2-CB 3.8Å; L300-K308 HydrophobicContact CD2-CD 4.48Å; L300-K308 HydrophobicContact CD2-CG 3.78Å; L300-K308 WeakPolarHBondContact O-CE 3.36Å; L300-K308 PolarHBondContact O-NZ 3.35Å; C303-K308 HydrophobicContact CB-CG 4.38Å; C303-K308 WeakPolarHBondContact O-CE 3.44Å; D304-K308 WeakPolarHBondContact O-CG 3.5Å; D304-K308 PolarHBondContact O-N 2.86Å; R305-K308 PolarHBondContact O-N 3.37Å; N306-K308 VanDerWaalsContact C-N 3.26Å; N306-K308 PolarHBondContact O-N 3.49Å; K308-V312 VanDerWaalsContact O-CG2 3.23Å; K308-V312 WeakPolarHBondContact O-CG2 3.38Å; K308-V312 PolarHBondContact O-N 3.42Å
309L91.5Very high91.7Very high130 Ų13070.1 Ų70.168%0.68136%0.357SS*.Hα-helixtrans-66.3-48.6179.1-67.6175.7000111.2N306 L307 V312 Q313N306-L309 PolarHBondContact O-N 2.89Å; L307-L309 VanDerWaalsContact C-N 3.27Å; L307-L309 PolarHBondContact O-N 2.92Å; L309-V312 PolarHBondContact O-N 3.24Å; L309-Q313 PolarHBondContact O-N 2.86Å; L309-Q313 VanDerWaalsContact O-N 3.07Å
310E91Very high91.7Very high101 Ų10175.7 Ų75.747%0.47238%0.383SS..Hα-helixtrans-64.9-41.6179.2-65-173.5-179.800111.8L307 V312 Q313 L314 I342L307-E310 PolarHBondContact O-N 2.62Å; E310-V312 PolarHBondContact O-N 3.32Å; E310-Q313 PolarHBondContact O-N 2.9Å; E310-L314 VanDerWaalsContact O-CB 3.32Å; E310-L314 WeakPolarHBondContact O-CB 3.35Å; E310-L314 PolarHBondContact O-N 2.94Å; E310-I342 WeakPolarHBondContact OE2-CG2 3.07Å
311L94Very high91.8Very high2 Ų279.5 Ų79.51%0.0140%0.395CS..Hα-helixtrans-61.5-41.8176.1173.258.1000112L299 L300 L307 L314 G315 F335 F339L299-L311 HydrophobicContact CB-CD1 4.5Å; L299-L311 HydrophobicContact CB-CD2 3.6Å; L299-L311 HydrophobicContact CD1-CD1 4.32Å; L300-L311 HydrophobicContact CB-CD2 4.45Å; L300-L311 HydrophobicContact CD2-CB 4.33Å; L300-L311 HydrophobicContact CD2-CD2 3.66Å; L300-L311 HydrophobicContact CD2-CG 4.05Å; L300-L311 HydrophobicContact CG-CD2 3.74Å; L300-L311 HydrophobicContact CG-CG 4.29Å; L307-L311 WeakPolarHBondContact O-CB 3.36Å; L307-L311 PolarHBondContact O-N 3.06Å; L311-L314 PolarHBondContact O-N 2.93Å; L311-G315 PolarHBondContact O-N 3.08Å; L311-F335 HydrophobicContact CD1-CE2 3.94Å; L311-F335 HydrophobicContact CD1-CZ 3.73Å; L311-F339 HydrophobicContact CB-CE2 4.42Å; L311-F339 HydrophobicContact CD1-CD2 3.61Å; L311-F339 HydrophobicContact CD1-CE2 3.9Å; L311-F339 HydrophobicContact CD1-CG 4.35Å; L311-F339 HydrophobicContact CD2-CE2 4.07Å; L311-F339 HydrophobicContact CG-CD2 4.46Å; L311-F339 HydrophobicContact CG-CE2 4.36Å
312V94.3Very high91.9Very high77 Ų7773.9 Ų73.947%0.46737%0.365SS..Hα-helixtrans-65-42.9176.2170.20000111L300 K308 L309 E310 G315 A316L300-V312 HydrophobicContact CD1-CG2 4.02Å; L300-V312 HydrophobicContact CD2-CG2 3.89Å; K308-V312 VanDerWaalsContact O-CG2 3.23Å; K308-V312 WeakPolarHBondContact O-CG2 3.38Å; K308-V312 PolarHBondContact O-N 3.42Å; L309-V312 PolarHBondContact O-N 3.24Å; E310-V312 PolarHBondContact O-N 3.32Å; V312-G315 PolarHBondContact O-N 3.31Å; V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 3.24Å
313Q95Very high91.9Very high142 Ų14274.6 Ų74.666%0.66436%0.363SS*.Hα-helixtrans-62.1-46.4177.5-178.4175.1-6.200111.3L309 E310 A316 E317L309-Q313 PolarHBondContact O-N 2.86Å; L309-Q313 VanDerWaalsContact O-N 3.07Å; E310-Q313 PolarHBondContact O-N 2.9Å; Q313-A316 PolarHBondContact O-N 3.36Å; Q313-E317 PolarHBondContact O-N 3.06Å
314L94.6Very high92Very high18 Ų1880.4 Ų80.49%0.09439%0.393CS..Hα-helixtrans-60.8-46.2176.5-162.975.6000111.2E310 L311 A316 E317 Y318 F335 A338 F339 I342E310-L314 VanDerWaalsContact O-CB 3.32Å; E310-L314 WeakPolarHBondContact O-CB 3.35Å; E310-L314 PolarHBondContact O-N 2.94Å; L311-L314 PolarHBondContact O-N 2.93Å; L314-A316 PolarHBondContact O-N 3.35Å; L314-E317 PolarHBondContact O-N 3.09Å; L314-Y318 HydrophobicContact CD1-CD2 4.11Å; L314-Y318 HydrophobicContact CD1-CE2 3.59Å; L314-Y318 HydrophobicContact CG-CD2 3.86Å; L314-Y318 HydrophobicContact CG-CE2 3.8Å; L314-Y318 VanDerWaalsContact O-CD2 3.28Å; L314-Y318 WeakPolarHBondContact O-CD2 3.49Å; L314-Y318 PolarHBondContact O-N 3.5Å; L314-F335 HydrophobicContact CB-CE2 4.44Å; L314-F335 HydrophobicContact CD2-CD2 3.87Å; L314-F335 HydrophobicContact CD2-CE2 3.96Å; L314-F335 HydrophobicContact CG-CD2 4.03Å; L314-F335 HydrophobicContact CG-CE2 4.26Å; L314-A338 HydrophobicContact CD1-CB 3.83Å; L314-A338 HydrophobicContact CD2-CB 3.91Å; L314-A338 HydrophobicContact CG-CB 4.34Å; L314-F339 HydrophobicContact CD2-CB 3.87Å; L314-I342 HydrophobicContact CD1-CD1 4.26Å; L314-I342 HydrophobicContact CD2-CD1 4.22Å
315G94.3Very high92.1Very high4 Ų477.3 Ų77.34%0.04138%0.383CS..Hα-helixtrans-57.5-47.6177.500000111.9M292 L311 V312 E317 Y318 E319M292-G315 WeakPolarHBondContact CE-O 3.41Å; L311-G315 PolarHBondContact O-N 3.08Å; V312-G315 PolarHBondContact O-N 3.31Å; G315-E317 PolarHBondContact O-N 2.96Å; G315-Y318 PolarHBondContact O-N 3.23Å; G315-E319 WeakPolarHBondContact O-CB 3.3Å; G315-E319 PolarHBondContact O-N 3.48Å
316A95.4Very high91.9Very high56 Ų5676.3 Ų76.346%0.46339%0.387SS..Hα-helixtrans-63.4-41.3178.800000112.6V312 Q313 L314 H320V312-A316 WeakPolarHBondContact O-CB 3.43Å; V312-A316 PolarHBondContact O-N 3.24Å; Q313-A316 PolarHBondContact O-N 3.36Å; L314-A316 PolarHBondContact O-N 3.35Å; A316-H320 WeakPolarHBondContact O-CB 3.27Å; A316-H320 PolarHBondContact O-N 3.08Å
317E95.8Very high92.2Very high83 Ų8377.2 Ų77.239%0.38839%0.386SS..Hα-helixtrans-64.3-48.4178.6-176.5176.2-175.800111.9Q313 L314 G315 H320 R321Q313-E317 PolarHBondContact O-N 3.06Å; L314-E317 PolarHBondContact O-N 3.09Å; G315-E317 PolarHBondContact O-N 2.96Å; E317-H320 PolarHBondContact O-N 3.23Å; E317-R321 WeakPolarHBondContact O-CG 3.47Å; E317-R321 PolarHBondContact O-N 3.23Å; E317-R321 IonicContact OE1-CZ 2.82Å; E317-R321 IonicContact OE1-NE 3.5Å; E317-R321 PolarHBondContact OE1-NE 2.85Å; E317-R321 IonicContact OE1-NH2 3.66Å; E317-R321 PolarHBondContact OE1-NH2 3.14Å
318Y95.4Very high92.3Very high30 Ų3078.9 Ų78.912%0.11840%0.397CS..Hα-helixtrans-73.8-32.1-179.5-76-73.1000113.2L314 G315 H320 R321 L322 A334 F335 A338L314-Y318 HydrophobicContact CD1-CD2 4.11Å; L314-Y318 HydrophobicContact CD1-CE2 3.59Å; L314-Y318 HydrophobicContact CG-CD2 3.86Å; L314-Y318 HydrophobicContact CG-CE2 3.8Å; L314-Y318 VanDerWaalsContact O-CD2 3.28Å; L314-Y318 WeakPolarHBondContact O-CD2 3.49Å; L314-Y318 PolarHBondContact O-N 3.5Å; G315-Y318 PolarHBondContact O-N 3.23Å; Y318-H320 VanDerWaalsContact C-N 3.32Å; Y318-R321 PolarHBondContact O-N 3.21Å; Y318-L322 WeakPolarHBondContact O-CB 3.29Å; Y318-L322 PolarHBondContact O-N 2.92Å; Y318-A334 HydrophobicContact CD1-CB 4.09Å; Y318-A334 HydrophobicContact CE1-CB 3.39Å; Y318-F335 HydrophobicContact CD1-CB 4.39Å; Y318-F335 HydrophobicContact CD2-CB 3.86Å; Y318-F335 AromaticContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CG 4.42Å; Y318-F335 HydrophobicContact CE2-CB 4.49Å; Y318-F335 HydrophobicContact CG-CB 3.8Å; Y318-F335 HydrophobicContact CG-CD2 4.49Å; Y318-A338 HydrophobicContact CE2-CB 3.89Å
319E94Very high92.4Very high81 Ų8175.6 Ų75.638%0.37938%0.383SS..Hα-helixtrans-62.8-40.2170-174.2-177.1-178.200111M292 G315 L322 N323M292-E319 HydrophobicContact CG-CB 4.22Å; G315-E319 WeakPolarHBondContact O-CB 3.3Å; G315-E319 PolarHBondContact O-N 3.48Å; E319-L322 PolarHBondContact O-N 2.85Å; E319-N323 PolarHBondContact O-N 3.34Å; E319-N323 VanDerWaalsContact O-N 3.15Å; E319-N323 PolarHBondContact O-ND2 3.04Å
320H93.7Very high92.5Very high117 Ų11774.2 Ų74.254%0.54237%0.372SS..Hα-helixtrans-64.4-47175-175.460.9000111.8A316 E317 Y318 L322 N323 L324A316-H320 WeakPolarHBondContact O-CB 3.27Å; A316-H320 PolarHBondContact O-N 3.08Å; E317-H320 PolarHBondContact O-N 3.23Å; Y318-H320 VanDerWaalsContact C-N 3.32Å; H320-L322 VanDerWaalsContact C-N 3.31Å; H320-L322 PolarHBondContact O-N 2.98Å; H320-N323 PolarHBondContact O-N 3.31Å; H320-L324 WeakPolarHBondContact NE2-CD1 3.4Å; H320-L324 PolarHBondContact O-N 3.48Å
321R94.8Very high92.6Very high111 Ų11171.4 Ų71.442%0.41936%0.359SS..Hα-helixtrans-61.2-39.5176.3-69.9173.4179.8-160.6-0.4112E317 Y318 N323 L324 G325E317-R321 WeakPolarHBondContact O-CG 3.47Å; E317-R321 PolarHBondContact O-N 3.23Å; E317-R321 IonicContact OE1-CZ 2.82Å; E317-R321 IonicContact OE1-NE 3.5Å; E317-R321 PolarHBondContact OE1-NE 2.85Å; E317-R321 IonicContact OE1-NH2 3.66Å; E317-R321 PolarHBondContact OE1-NH2 3.14Å; Y318-R321 PolarHBondContact O-N 3.21Å; R321-N323 VanDerWaalsContact C-N 3.34Å; R321-N323 PolarHBondContact O-N 3.17Å; R321-L324 PolarHBondContact O-N 2.94Å; R321-G325 PolarHBondContact O-N 3.34Å
322L93.3Very high92.7Very high10 Ų1071.3 Ų71.35%0.05236%0.358CS..Hα-helixtrans-58.9-43.7176.6174.466.8000111.9P288 N289 M292 Y318 E319 H320 L324 G325 P328 H331P288-L322 HydrophobicContact CB-CD1 3.95Å; P288-L322 HydrophobicContact CB-CD2 3.9Å; P288-L322 HydrophobicContact CB-CG 4.41Å; P288-L322 HydrophobicContact CG-CD1 4.22Å; P288-L322 HydrophobicContact CG-CD2 4.33Å; N289-L322 VanDerWaalsContact OD1-CD2 3.28Å; N289-L322 WeakPolarHBondContact OD1-CD2 3.32Å; M292-L322 HydrophobicContact CB-CD2 4.3Å; Y318-L322 WeakPolarHBondContact O-CB 3.29Å; Y318-L322 PolarHBondContact O-N 2.92Å; E319-L322 PolarHBondContact O-N 2.85Å; H320-L322 VanDerWaalsContact C-N 3.31Å; H320-L322 PolarHBondContact O-N 2.98Å; L322-L324 VanDerWaalsContact C-N 3.33Å; L322-L324 PolarHBondContact O-N 3.36Å; L322-G325 PolarHBondContact O-N 3.31Å; L322-P328 VanDerWaalsContact CD1-CA 3.45Å; L322-P328 HydrophobicContact CD1-CB 3.47Å; L322-P328 VanDerWaalsContact CD1-CB 3.47Å; L322-H331 HydrophobicContact CB-CB 4.04Å; L322-H331 HydrophobicContact CD1-CB 4.11Å
323N87.3Confident92.7Very high92 Ų9269.3 Ų69.349%0.49234%0.344SS..Hα-helixtrans-70.5-27.2178.6-73.9-58.4000113.2N289 E319 H320 R321N289-N323 PolarHBondContact ND2-OD1 3.1Å; N289-N323 VanDerWaalsContact ND2-OD1 3.08Å; N289-N323 PolarHBondContact OD1-OD1 3.16Å; E319-N323 PolarHBondContact O-N 3.34Å; E319-N323 VanDerWaalsContact O-N 3.15Å; E319-N323 PolarHBondContact O-ND2 3.04Å; H320-N323 PolarHBondContact O-N 3.31Å; R321-N323 VanDerWaalsContact C-N 3.34Å; R321-N323 PolarHBondContact O-N 3.17Å
324L89.1Confident92.7Very high130 Ų13064 Ų6468%0.68133%0.325SS*.Hα-helixtrans-84.6-28175.7-66.9177.9000112.9H320 R321 L322H320-L324 WeakPolarHBondContact NE2-CD1 3.4Å; H320-L324 PolarHBondContact O-N 3.48Å; R321-L324 PolarHBondContact O-N 2.94Å; L322-L324 VanDerWaalsContact C-N 3.33Å; L322-L324 PolarHBondContact O-N 3.36Å
325G87.3Confident92.7Very high30 Ų3063.2 Ų63.231%0.30932%0.32SS..  trans-83.2163.3-176.900000114R321 L322R321-G325 PolarHBondContact O-N 3.34Å; L322-G325 PolarHBondContact O-N 3.31Å
326Q82.1Confident92.8Very high191 Ų19163.1 Ų63.189%0.89332%0.319SS*.SBendtrans-97.5-30.5176.1-66.4-1780.600113.2P328Q326-P328 WeakPolarHBondContact O-CD 3.48Å
327K91.8Very high92.8Very high133 Ų13364 Ų6458%0.57832%0.315SS*.  trans-105.598.6-176-75.2-176.7173.9-1760109.9I329 F330 H331K327-I329 VanDerWaalsContact C-N 3.29Å; K327-I329 PolarHBondContact O-N 3.22Å; K327-F330 HydrophobicContact CB-CD2 3.61Å; K327-F330 HydrophobicContact CB-CE2 3.88Å; K327-F330 HydrophobicContact CD-CD2 4Å; K327-F330 HydrophobicContact CD-CE2 3.33Å; K327-F330 HydrophobicContact CD-CZ 4.09Å; K327-F330 HydrophobicContact CG-CD2 4.45Å; K327-F330 HydrophobicContact CG-CE2 4.24Å; K327-F330 PolarHBondContact O-N 3.34Å; K327-H331 PolarHBondContact O-CD2 3.25Å; K327-H331 VanDerWaalsContact O-CD2 3.31Å
328P91.3Very high92.7Very high40 Ų4061 Ų6126%0.2630%0.304SS..Hα-helixtrans-65.3-33.1-170.725.2-35.1000113.2L282 P288 L322 Q326 F330 H331 L332L282-P328 HydrophobicContact CD1-CG 4.24Å; L282-P328 HydrophobicContact CD2-CG 4.29Å; P288-P328 HydrophobicContact CB-CB 3.67Å; P288-P328 HydrophobicContact CG-CB 3.9Å; L322-P328 VanDerWaalsContact CD1-CA 3.45Å; L322-P328 HydrophobicContact CD1-CB 3.47Å; L322-P328 VanDerWaalsContact CD1-CB 3.47Å; Q326-P328 WeakPolarHBondContact O-CD 3.48Å; P328-F330 VanDerWaalsContact C-N 3.31Å; P328-F330 PolarHBondContact O-N 3.12Å; P328-H331 PolarHBondContact O-N 3.34Å; P328-H331 VanDerWaalsContact O-N 3.13Å; P328-L332 PolarHBondContact O-N 2.81Å; P328-L332 VanDerWaalsContact O-N 3.09Å
329I93.5Very high92.6Very high10 Ų1059.7 Ų59.75%0.05130%0.299CS..Hα-helixtrans-57.5-40.9-177.1-173.368.7000113.2L278 Y279 L282 K327 H331 L332 E333L278-I329 HydrophobicContact CB-CD1 4.03Å; Y279-I329 HydrophobicContact CD1-CD1 4.48Å; Y279-I329 HydrophobicContact CD2-CD1 3.72Å; Y279-I329 HydrophobicContact CD2-CG1 4.06Å; Y279-I329 HydrophobicContact CE1-CB 4.45Å; Y279-I329 HydrophobicContact CE1-CD1 4.48Å; Y279-I329 HydrophobicContact CE1-CG1 4.19Å; Y279-I329 HydrophobicContact CE2-CD1 3.71Å; Y279-I329 HydrophobicContact CE2-CG1 3.49Å; Y279-I329 VanDerWaalsContact CE2-CG1 3.49Å; Y279-I329 HydrophobicContact CG-CD1 4.12Å; L282-I329 HydrophobicContact CD1-CB 4.12Å; L282-I329 HydrophobicContact CD1-CD1 4.14Å; K327-I329 VanDerWaalsContact C-N 3.29Å; K327-I329 PolarHBondContact O-N 3.22Å; I329-H331 VanDerWaalsContact C-N 3.26Å; I329-H331 PolarHBondContact O-N 2.84Å; I329-L332 PolarHBondContact O-N 2.85Å; I329-E333 VanDerWaalsContact O-CB 3.28Å; I329-E333 WeakPolarHBondContact O-CB 3.46Å; I329-E333 PolarHBondContact O-N 3.34Å
330F93.6Very high92.6Very high101 Ų10156 Ų5644%0.44328%0.282SS..Hα-helixtrans-65.6-33.6-178.4-62.4-40.8000111.9K327 P328 A334K327-F330 HydrophobicContact CB-CD2 3.61Å; K327-F330 HydrophobicContact CB-CE2 3.88Å; K327-F330 HydrophobicContact CD-CD2 4Å; K327-F330 HydrophobicContact CD-CE2 3.33Å; K327-F330 HydrophobicContact CD-CZ 4.09Å; K327-F330 HydrophobicContact CG-CD2 4.45Å; K327-F330 HydrophobicContact CG-CE2 4.24Å; K327-F330 PolarHBondContact O-N 3.34Å; P328-F330 VanDerWaalsContact C-N 3.31Å; P328-F330 PolarHBondContact O-N 3.12Å; F330-A334 WeakPolarHBondContact O-CB 3.34Å; F330-A334 PolarHBondContact O-N 3.46Å
331H94.8Very high92.6Very high42 Ų4253.4 Ų53.419%0.19428%0.281CS..Hα-helixtrans-75-39.7178-58.8-63.7000111.7L322 K327 P328 I329 F335L322-H331 HydrophobicContact CB-CB 4.04Å; L322-H331 HydrophobicContact CD1-CB 4.11Å; K327-H331 PolarHBondContact O-CD2 3.25Å; K327-H331 VanDerWaalsContact O-CD2 3.31Å; P328-H331 PolarHBondContact O-N 3.34Å; P328-H331 VanDerWaalsContact O-N 3.13Å; I329-H331 VanDerWaalsContact C-N 3.26Å; I329-H331 PolarHBondContact O-N 2.84Å; H331-F335 WeakPolarHBondContact O-CB 3.34Å; H331-F335 PolarHBondContact O-N 3.33Å
332L95Very high92.4Very high0 Ų050.3 Ų50.30%027%0.272CS..Hα-helixtrans-66.4-44.5175.7-64.8174.6000111.7L278 L282 P288 I291 M292 P328 I329 F335 V336L278-L332 HydrophobicContact CD1-CB 3.97Å; L282-L332 HydrophobicContact CD1-CD1 4.36Å; L282-L332 HydrophobicContact CD2-CD1 4.41Å; P288-L332 HydrophobicContact CB-CD1 4.46Å; I291-L332 HydrophobicContact CG2-CD1 4.03Å; I291-L332 HydrophobicContact CG2-CD2 4.16Å; M292-L332 HydrophobicContact CB-CD2 4.07Å; M292-L332 HydrophobicContact SD-CD2 3.91Å; P328-L332 PolarHBondContact O-N 2.81Å; P328-L332 VanDerWaalsContact O-N 3.09Å; I329-L332 PolarHBondContact O-N 2.85Å; L332-F335 WeakPolarHBondContact O-CB 3.1Å; L332-F335 PolarHBondContact O-N 2.9Å; L332-V336 WeakPolarHBondContact O-CG2 3.3Å; L332-V336 PolarHBondContact O-N 3.33Å
333E94.2Very high92.3Very high35 Ų3552 Ų5216%0.16428%0.278CS..Hα-helixtrans-62.5-47.1176178.4177.8-154.300111.3R275 I329 F335 V336 I337R275-E333 WeakPolarHBondContact CD-OE1 3.22Å; R275-E333 IonicContact CZ-OE1 2.92Å; R275-E333 IonicContact CZ-OE2 2.97Å; R275-E333 IonicContact NH1-OE1 3.93Å; R275-E333 PolarHBondContact NH1-OE1 2.91Å; R275-E333 IonicContact NH1-OE2 3.95Å; R275-E333 PolarHBondContact NH1-OE2 3.4Å; I329-E333 VanDerWaalsContact O-CB 3.28Å; I329-E333 WeakPolarHBondContact O-CB 3.46Å; I329-E333 PolarHBondContact O-N 3.34Å; E333-F335 VanDerWaalsContact C-N 3.28Å; E333-F335 PolarHBondContact O-N 3.05Å; E333-V336 PolarHBondContact O-N 3.5Å; E333-V336 VanDerWaalsContact O-N 3.17Å; E333-I337 HydrophobicContact CG-CD1 3.79Å; E333-I337 HydrophobicContact CG-CG1 4.43Å; E333-I337 VanDerWaalsContact O-CG1 3.31Å; E333-I337 WeakPolarHBondContact O-CG1 3.31Å; E333-I337 PolarHBondContact O-N 3.39Å
334A94.5Very high92.4Very high31 Ų3152.4 Ų52.426%0.25628%0.275SS..Hα-helixtrans-61.5-37177.900000112.3Y318 F330 A338Y318-A334 HydrophobicContact CD1-CB 4.09Å; Y318-A334 HydrophobicContact CE1-CB 3.39Å; F330-A334 WeakPolarHBondContact O-CB 3.34Å; F330-A334 PolarHBondContact O-N 3.46Å; A334-A338 VanDerWaalsContact O-CB 3.25Å; A334-A338 WeakPolarHBondContact O-CB 3.39Å; A334-A338 PolarHBondContact O-N 2.97Å
335F95.8Very high92.5Very high0 Ų054.2 Ų54.20%027%0.273CS..Hα-helixtrans-61.1-49.5172.2168.4-108.5000112.1M292 L295 V296 L299 L311 L314 Y318 H331 L332 E333 I337 A338 F339M292-F335 HydrophobicContact CE-CB 3.94Å; M292-F335 HydrophobicContact CE-CD1 3.73Å; M292-F335 HydrophobicContact CE-CD2 3.3Å; M292-F335 HydrophobicContact CE-CE1 4.02Å; M292-F335 HydrophobicContact CE-CE2 3.61Å; M292-F335 HydrophobicContact CE-CG 3.36Å; M292-F335 HydrophobicContact CE-CZ 3.95Å; M292-F335 HydrophobicContact SD-CB 4.22Å; M292-F335 HydrophobicContact SD-CD1 3.82Å; M292-F335 HydrophobicContact SD-CD2 4.43Å; M292-F335 HydrophobicContact SD-CE1 4.28Å; M292-F335 HydrophobicContact SD-CG 3.9Å; L295-F335 HydrophobicContact CB-CE1 4.21Å; V296-F335 HydrophobicContact CG2-CE1 4.27Å; V296-F335 HydrophobicContact CG2-CE2 4.11Å; V296-F335 HydrophobicContact CG2-CZ 3.58Å; L299-F335 HydrophobicContact CD1-CE1 4.24Å; L299-F335 HydrophobicContact CD1-CZ 4.26Å; L311-F335 HydrophobicContact CD1-CE2 3.94Å; L311-F335 HydrophobicContact CD1-CZ 3.73Å; L314-F335 HydrophobicContact CB-CE2 4.44Å; L314-F335 HydrophobicContact CD2-CD2 3.87Å; L314-F335 HydrophobicContact CD2-CE2 3.96Å; L314-F335 HydrophobicContact CG-CD2 4.03Å; L314-F335 HydrophobicContact CG-CE2 4.26Å; Y318-F335 HydrophobicContact CD1-CB 4.39Å; Y318-F335 HydrophobicContact CD2-CB 3.86Å; Y318-F335 AromaticContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CD2 3.96Å; Y318-F335 HydrophobicContact CD2-CG 4.42Å; Y318-F335 HydrophobicContact CE2-CB 4.49Å; Y318-F335 HydrophobicContact CG-CB 3.8Å; Y318-F335 HydrophobicContact CG-CD2 4.49Å; H331-F335 WeakPolarHBondContact O-CB 3.34Å; H331-F335 PolarHBondContact O-N 3.33Å; L332-F335 WeakPolarHBondContact O-CB 3.1Å; L332-F335 PolarHBondContact O-N 2.9Å; E333-F335 VanDerWaalsContact C-N 3.28Å; E333-F335 PolarHBondContact O-N 3.05Å; F335-I337 PolarHBondContact O-N 2.77Å; F335-A338 PolarHBondContact O-N 3.48Å; F335-F339 WeakPolarHBondContact O-CB 3.16Å; F335-F339 PolarHBondContact O-N 3.42Å
336V95.2Very high92.5Very high3 Ų356.1 Ų56.12%0.01827%0.271CS..Hα-helixtrans-60.7-45.4179.41720000111.1I262 V274 L278 L332 E333 F339 M340I262-V336 HydrophobicContact CD1-CG1 4.1Å; I262-V336 HydrophobicContact CD1-CG2 3.99Å; I262-V336 HydrophobicContact CG1-CG1 4.12Å; V274-V336 HydrophobicContact CG1-CG1 3.98Å; V274-V336 HydrophobicContact CG1-CG2 4.2Å; L278-V336 HydrophobicContact CD1-CG2 4.13Å; L332-V336 WeakPolarHBondContact O-CG2 3.3Å; L332-V336 PolarHBondContact O-N 3.33Å; E333-V336 PolarHBondContact O-N 3.5Å; E333-V336 VanDerWaalsContact O-N 3.17Å; V336-F339 PolarHBondContact O-N 2.84Å; V336-M340 HydrophobicContact CG1-CE 3.99Å; V336-M340 HydrophobicContact CG1-CG 4.32Å; V336-M340 HydrophobicContact CG1-SD 4.05Å; V336-M340 WeakPolarHBondContact O-CB 3.06Å; V336-M340 WeakPolarHBondContact O-CG 3.47Å; V336-M340 PolarHBondContact O-N 2.91Å
337I95.5Very high92.8Very high73 Ų7349.5 Ų49.537%0.37424%0.242SC..Hα-helixtrans-61.5-47.4178.7-67.2170.1000110.6I271 E333 F335 F339 M340 A341I271-I337 HydrophobicContact CD1-CG1 4.04Å; I271-I337 HydrophobicContact CG1-CG1 4.35Å; I271-I337 HydrophobicContact CG2-CD1 4.05Å; I271-I337 HydrophobicContact CG2-CG1 3.72Å; E333-I337 HydrophobicContact CG-CD1 3.79Å; E333-I337 HydrophobicContact CG-CG1 4.43Å; E333-I337 VanDerWaalsContact O-CG1 3.31Å; E333-I337 WeakPolarHBondContact O-CG1 3.31Å; E333-I337 PolarHBondContact O-N 3.39Å; F335-I337 PolarHBondContact O-N 2.77Å; I337-F339 VanDerWaalsContact C-N 3.33Å; I337-F339 PolarHBondContact O-N 3.29Å; I337-M340 PolarHBondContact O-N 2.55Å; I337-A341 WeakPolarHBondContact O-CB 3.44Å; I337-A341 PolarHBondContact O-N 3.02Å
338A94.7Very high92.6Very high20 Ų2047.9 Ų47.917%0.16524%0.236CC..Hα-helixtrans-65.8-38-17900000111.7L314 Y318 A334 F335 A341 I342L314-A338 HydrophobicContact CD1-CB 3.83Å; L314-A338 HydrophobicContact CD2-CB 3.91Å; L314-A338 HydrophobicContact CG-CB 4.34Å; Y318-A338 HydrophobicContact CE2-CB 3.89Å; A334-A338 VanDerWaalsContact O-CB 3.25Å; A334-A338 WeakPolarHBondContact O-CB 3.39Å; A334-A338 PolarHBondContact O-N 2.97Å; F335-A338 PolarHBondContact O-N 3.48Å; A338-A341 PolarHBondContact O-N 3.23Å; A338-I342 WeakPolarHBondContact O-CG1 3.43Å; A338-I342 PolarHBondContact O-N 3.22Å; A338-I342 VanDerWaalsContact O-N 3.12Å
339F94.3Very high92.3Very high3 Ų351.1 Ų51.11%0.01325%0.252CS..Hα-helixtrans-66-46.3173.7175.5-103.9000111.9I262 L263 L299 L311 L314 F335 V336 I337 A341 I342 Y343I262-F339 HydrophobicContact CG2-CD1 3.6Å; I262-F339 HydrophobicContact CG2-CE1 3.75Å; L263-F339 HydrophobicContact CD2-CE1 4.04Å; L263-F339 HydrophobicContact CD2-CZ 4.02Å; L299-F339 HydrophobicContact CB-CZ 4.39Å; L299-F339 HydrophobicContact CD1-CD1 3.85Å; L299-F339 HydrophobicContact CD1-CE1 3.87Å; L299-F339 HydrophobicContact CD1-CG 4.2Å; L299-F339 HydrophobicContact CD1-CZ 4.23Å; L299-F339 HydrophobicContact CD2-CD1 4.38Å; L299-F339 HydrophobicContact CD2-CE1 3.67Å; L299-F339 HydrophobicContact CD2-CZ 4.06Å; L299-F339 HydrophobicContact CG-CE1 4.28Å; L299-F339 HydrophobicContact CG-CZ 4.46Å; L311-F339 HydrophobicContact CB-CE2 4.42Å; L311-F339 HydrophobicContact CD1-CD2 3.61Å; L311-F339 HydrophobicContact CD1-CE2 3.9Å; L311-F339 HydrophobicContact CD1-CG 4.35Å; L311-F339 HydrophobicContact CD2-CE2 4.07Å; L311-F339 HydrophobicContact CG-CD2 4.46Å; L311-F339 HydrophobicContact CG-CE2 4.36Å; L314-F339 HydrophobicContact CD2-CB 3.87Å; F335-F339 WeakPolarHBondContact O-CB 3.16Å; F335-F339 PolarHBondContact O-N 3.42Å; V336-F339 PolarHBondContact O-N 2.84Å; I337-F339 VanDerWaalsContact C-N 3.33Å; I337-F339 PolarHBondContact O-N 3.29Å; F339-A341 VanDerWaalsContact C-N 3.27Å; F339-A341 PolarHBondContact O-N 2.87Å; F339-I342 PolarHBondContact O-N 3.12Å; F339-Y343 HydrophobicContact CE1-CG 4.45Å; F339-Y343 HydrophobicContact CZ-CD2 4.14Å; F339-Y343 HydrophobicContact CZ-CG 4.26Å; F339-Y343 VanDerWaalsContact O-CB 3.3Å; F339-Y343 WeakPolarHBondContact O-CB 3.43Å; F339-Y343 PolarHBondContact O-N 2.89Å
340M93.4Very high91.7Very high5 Ų554.2 Ų54.23%0.02528%0.278CS..Hα-helixtrans-59.2-38.5177.1-77.3-177167.200112I262 Q266 K270 I271 V274 V336 I337 K344I262-M340 HydrophobicContact CB-CE 4.05Å; I262-M340 HydrophobicContact CG1-CE 4Å; I262-M340 HydrophobicContact CG2-CE 3.9Å; I262-M340 HydrophobicContact CG2-CG 3.91Å; Q266-M340 HydrophobicContact CB-CB 4.19Å; Q266-M340 HydrophobicContact CB-CG 4.49Å; Q266-M340 HydrophobicContact CG-CB 4.12Å; Q266-M340 HydrophobicContact CG-CG 4.21Å; K270-M340 HydrophobicContact CG-CE 4.35Å; I271-M340 HydrophobicContact CD1-SD 3.96Å; I271-M340 HydrophobicContact CG1-CE 4.29Å; I271-M340 HydrophobicContact CG1-SD 3.29Å; I271-M340 WeakPolarHBondContact CG1-SD 3.43Å; V274-M340 HydrophobicContact CG2-CE 4.27Å; V336-M340 HydrophobicContact CG1-CE 3.99Å; V336-M340 HydrophobicContact CG1-CG 4.32Å; V336-M340 HydrophobicContact CG1-SD 4.05Å; V336-M340 WeakPolarHBondContact O-CB 3.06Å; V336-M340 WeakPolarHBondContact O-CG 3.47Å; V336-M340 PolarHBondContact O-N 2.91Å; I337-M340 PolarHBondContact O-N 2.55Å; M340-K344 WeakPolarHBondContact O-CB 3.38Å; M340-K344 PolarHBondContact O-N 3.3Å
341A92.7Very high91Very high61 Ų6156 Ų5650%0.50429%0.292SS..Hα-helixtrans-65.1-45.1176.400000112.2I337 A338 F339 R345I337-A341 WeakPolarHBondContact O-CB 3.44Å; I337-A341 PolarHBondContact O-N 3.02Å; A338-A341 PolarHBondContact O-N 3.23Å; F339-A341 VanDerWaalsContact C-N 3.27Å; F339-A341 PolarHBondContact O-N 2.87Å; A341-R345 WeakPolarHBondContact O-CB 3.47Å; A341-R345 PolarHBondContact O-N 3.41Å
342I91.2Very high89.6Confident47 Ų4755.7 Ų55.724%0.24130%0.299CS..Hα-helixtrans-63.9-46.8176.3-69.3168000110.5L307 E310 L314 A338 F339 K344 R345 Y346L307-I342 HydrophobicContact CD2-CG2 3.82Å; E310-I342 WeakPolarHBondContact OE2-CG2 3.07Å; L314-I342 HydrophobicContact CD1-CD1 4.26Å; L314-I342 HydrophobicContact CD2-CD1 4.22Å; A338-I342 WeakPolarHBondContact O-CG1 3.43Å; A338-I342 PolarHBondContact O-N 3.22Å; A338-I342 VanDerWaalsContact O-N 3.12Å; F339-I342 PolarHBondContact O-N 3.12Å; I342-K344 PolarHBondContact O-N 3.05Å; I342-R345 PolarHBondContact O-N 3.14Å; I342-Y346 WeakPolarHBondContact O-CB 3.38Å; I342-Y346 PolarHBondContact O-N 2.83Å
343Y91Very high87.4Confident45 Ų4562.1 Ų62.118%0.17634%0.344CS..Hα-helixtrans-64.9-40.7-178.7-169.3-110.4000111.7L263 Q266 L307 F339 Y346 I347L263-Y343 HydrophobicContact CD2-CD1 4.35Å; L263-Y343 HydrophobicContact CD2-CD2 4.34Å; L263-Y343 HydrophobicContact CD2-CE1 3.9Å; L263-Y343 HydrophobicContact CD2-CE2 3.93Å; Q266-Y343 HydrophobicContact CG-CD1 4.08Å; L307-Y343 HydrophobicContact CD1-CD2 3.68Å; L307-Y343 HydrophobicContact CD1-CE2 3.88Å; F339-Y343 HydrophobicContact CE1-CG 4.45Å; F339-Y343 HydrophobicContact CZ-CD2 4.14Å; F339-Y343 HydrophobicContact CZ-CG 4.26Å; F339-Y343 VanDerWaalsContact O-CB 3.3Å; F339-Y343 WeakPolarHBondContact O-CB 3.43Å; F339-Y343 PolarHBondContact O-N 2.89Å; Y343-Y346 PolarHBondContact O-N 3.48Å; Y343-I347 HydrophobicContact CD1-CD1 3.6Å; Y343-I347 HydrophobicContact CD1-CG1 4.48Å; Y343-I347 HydrophobicContact CE1-CD1 3.3Å; Y343-I347 HydrophobicContact CE1-CG1 4.24Å; Y343-I347 HydrophobicContact CG-CD1 4.41Å; Y343-I347 WeakPolarHBondContact O-CG1 3.19Å; Y343-I347 PolarHBondContact O-N 2.93Å
344K90.4Very high85Confident101 Ų10163.8 Ų63.844%0.43937%0.371SS..Hα-helixtrans-62-47174.6-171.5-174.7-176.9-144.50111.6Q266 M340 I342 Y346 I347 E348Q266-K344 HydrophobicContact CB-CB 4.09Å; Q266-K344 HydrophobicContact CB-CG 4.49Å; Q266-K344 HydrophobicContact CG-CB 4.31Å; M340-K344 WeakPolarHBondContact O-CB 3.38Å; M340-K344 PolarHBondContact O-N 3.3Å; I342-K344 PolarHBondContact O-N 3.05Å; K344-Y346 VanDerWaalsContact C-N 3.29Å; K344-Y346 PolarHBondContact O-N 3.25Å; K344-I347 PolarHBondContact O-N 3.32Å; K344-E348 WeakPolarHBondContact CE-OE1 2.79Å; K344-E348 IonicContact NZ-OE1 3.77Å; K344-E348 PolarHBondContact NZ-OE1 2.9Å; K344-E348 WeakPolarHBondContact O-CG 3.15Å; K344-E348 PolarHBondContact O-N 3.19Å
345R90.1Very high82.6Confident168 Ų16870.1 Ų70.163%0.63440%0.397SS*.Hα-helixtrans-59.2-42.5175.6180-178.8174.1178.82.6111.4A341 I342 I347 E348 D349A341-R345 WeakPolarHBondContact O-CB 3.47Å; A341-R345 PolarHBondContact O-N 3.41Å; I342-R345 PolarHBondContact O-N 3.14Å; R345-I347 VanDerWaalsContact C-N 3.33Å; R345-I347 PolarHBondContact O-N 3.17Å; R345-E348 PolarHBondContact O-N 3.32Å; R345-D349 IonicContact NE-OD2 3.73Å; R345-D349 WeakPolarHBondContact O-CB 3.46Å; R345-D349 VanDerWaalsContact O-CG 3.27Å; R345-D349 PolarHBondContact O-N 2.88Å
346Y87.9Confident80Confident69 Ų6979.3 Ų79.327%0.27144%0.44SS..Hα-helixtrans-62.9-39.8176.9-177.8-97000112.5D304 L307 I342 Y343 K344 A350D304-Y346 PolarHBondContact OD2-OH 2.89Å; L307-Y346 HydrophobicContact CD1-CD1 3.33Å; L307-Y346 HydrophobicContact CD1-CD2 4.19Å; L307-Y346 HydrophobicContact CD1-CE1 3.61Å; L307-Y346 HydrophobicContact CD1-CE2 4.45Å; L307-Y346 HydrophobicContact CD1-CG 3.63Å; L307-Y346 HydrophobicContact CD2-CD1 4.38Å; L307-Y346 HydrophobicContact CD2-CD2 3.96Å; L307-Y346 HydrophobicContact CD2-CG 3.78Å; L307-Y346 HydrophobicContact CG-CD1 3.93Å; L307-Y346 HydrophobicContact CG-CD2 3.82Å; L307-Y346 HydrophobicContact CG-CE1 4.16Å; L307-Y346 HydrophobicContact CG-CE2 4.1Å; L307-Y346 HydrophobicContact CG-CG 3.73Å; I342-Y346 WeakPolarHBondContact O-CB 3.38Å; I342-Y346 PolarHBondContact O-N 2.83Å; Y343-Y346 PolarHBondContact O-N 3.48Å; K344-Y346 VanDerWaalsContact C-N 3.29Å; K344-Y346 PolarHBondContact O-N 3.25Å; Y346-A350 WeakPolarHBondContact O-CB 3.31Å; Y346-A350 PolarHBondContact O-N 3.49Å
347I87.2Confident77.5Confident52 Ų5294.1 Ų94.127%0.26750%0.496SS..Hα-helixtrans-64.8-43.6173.8-71.4166.8000110.8Y343 K344 R345 A350 L351Y343-I347 HydrophobicContact CD1-CD1 3.6Å; Y343-I347 HydrophobicContact CD1-CG1 4.48Å; Y343-I347 HydrophobicContact CE1-CD1 3.3Å; Y343-I347 HydrophobicContact CE1-CG1 4.24Å; Y343-I347 HydrophobicContact CG-CD1 4.41Å; Y343-I347 WeakPolarHBondContact O-CG1 3.19Å; Y343-I347 PolarHBondContact O-N 2.93Å; K344-I347 PolarHBondContact O-N 3.32Å; R345-I347 VanDerWaalsContact C-N 3.33Å; R345-I347 PolarHBondContact O-N 3.17Å; I347-A350 PolarHBondContact O-N 2.83Å; I347-L351 HydrophobicContact CG2-CD1 3.49Å; I347-L351 VanDerWaalsContact CG2-CD1 3.49Å; I347-L351 HydrophobicContact CG2-CG 4.2Å; I347-L351 VanDerWaalsContact O-CB 3.31Å; I347-L351 WeakPolarHBondContact O-CB 3.39Å; I347-L351 VanDerWaalsContact O-CG 3.28Å; I347-L351 WeakPolarHBondContact O-CG 3.28Å; I347-L351 PolarHBondContact O-N 3.47Å
348E87.8Confident76.6Confident99 Ų9995.2 Ų95.246%0.46350%0.502SS..Hα-helixtrans-62-44.7176.8-71.6169.7178.800111.3K344 R345 A350 G352K344-E348 WeakPolarHBondContact CE-OE1 2.79Å; K344-E348 IonicContact NZ-OE1 3.77Å; K344-E348 PolarHBondContact NZ-OE1 2.9Å; K344-E348 WeakPolarHBondContact O-CG 3.15Å; K344-E348 PolarHBondContact O-N 3.19Å; R345-E348 PolarHBondContact O-N 3.32Å; E348-A350 PolarHBondContact O-N 3.4Å; E348-G352 PolarHBondContact O-N 3.36Å; E348-G352 VanDerWaalsContact O-N 3.11Å
349D85.6Confident75.7Confident109 Ų10999.2 Ų99.258%0.58352%0.52SS*.Hα-helixtrans-65.6-36.8176.4-70.9-22000111.7R345 G352R345-D349 IonicContact NE-OD2 3.73Å; R345-D349 WeakPolarHBondContact O-CB 3.46Å; R345-D349 VanDerWaalsContact O-CG 3.27Å; R345-D349 PolarHBondContact O-N 2.88Å; D349-G352 PolarHBondContact O-N 2.69Å
350A80.9Confident74.6Confident74 Ų74104.5 Ų104.561%0.61255%0.548SS*.Hα-helixtrans-76.6-36.1179.600000113.5Y346 I347 E348 G352Y346-A350 WeakPolarHBondContact O-CB 3.31Å; Y346-A350 PolarHBondContact O-N 3.49Å; I347-A350 PolarHBondContact O-N 2.83Å; E348-A350 PolarHBondContact O-N 3.4Å; A350-G352 PolarHBondContact O-N 3.11Å
351L80Confident73.5Confident140 Ų140110.4 Ų110.473%0.73358%0.579SS**Hα-helixtrans-69-20.2171.4-74.3165.6000111.5I347I347-L351 HydrophobicContact CG2-CD1 3.49Å; I347-L351 VanDerWaalsContact CG2-CD1 3.49Å; I347-L351 HydrophobicContact CG2-CG 4.2Å; I347-L351 VanDerWaalsContact O-CB 3.31Å; I347-L351 WeakPolarHBondContact O-CB 3.39Å; I347-L351 VanDerWaalsContact O-CG 3.28Å; I347-L351 WeakPolarHBondContact O-CG 3.28Å; I347-L351 PolarHBondContact O-N 3.47Å
352G64.1Low72.3Confident34 Ų34113.4 Ų113.435%0.35158%0.584SS.*  trans75.4159.1175.500000112.2E348 D349 A350 G354E348-G352 PolarHBondContact O-N 3.36Å; E348-G352 VanDerWaalsContact O-N 3.11Å; D349-G352 PolarHBondContact O-N 2.69Å; A350-G352 PolarHBondContact O-N 3.11Å; G352-G354 PolarHBondContact O-N 3.4Å
353S49.9Very low71.1Confident135 Ų135117.9 Ų117.994%0.94461%0.606SS**SBendtrans-50.342.7164.949.40000115.7
354G44Very low69.6Low70 Ų70123.1 Ų123.172%0.72264%0.637SS**  trans-104-3174.800000114.3G352G352-G354 PolarHBondContact O-N 3.4Å
355M42.3Very low68.1Low164 Ų164124.8 Ų124.881%0.80865%0.652SS**  trans-12281.6172.1-83.9179.1160.800109.4W357M355-W357 PolarHBondContact O-N 3.41Å
356E41.8Very low66.2Low194 Ų194121.2 Ų121.291%0.90765%0.654SS**  trans-57.3121.2147.2-67.5-179.1159.900106.6
357W43.4Very low64.3Low314 Ų314125.9 Ų125.9100%1.18969%0.689SS**  trans-75.30176.2-72.169000111.2M355M355-W357 PolarHBondContact O-N 3.41Å

Retrieved 357 of 357 residues in 145.9 ms (Link to these results)