A0A077ZKX7_TRITR Loading...

Ubiquitin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZKX7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 384 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
1M38.1Very low70.9Confident248 Ų24869.2 Ų69.2100%1.22241%0.407SS*.  0950-71.1170.7156.400106.2
2S51.6Low71.7Confident113 Ų11365.2 Ų65.279%0.7939%0.386SS*.PPolyproline II helixtrans-83.5118.3178.6-134.10000107.1
3G58.8Low71.8Confident38 Ų3863.2 Ų63.239%0.39238%0.375SS..PPolyproline II helixtrans-63.8165.5172.400000111.4A5G3-A5 PolarHBondContact O-N 3.2Å
4P61.6Low71.4Confident99 Ų9965.9 Ų65.964%0.64339%0.386SS*.PPolyproline II helixtrans-61.8123.1177.126.7-32.6000109.8V6P4-V6 PolarHBondContact O-N 3.48Å
5A70.1Confident70.5Confident55 Ų5568.8 Ų68.846%0.45541%0.407SS..PPolyproline II helixtrans-66.1129174.800000109.8G3 A23G3-A5 PolarHBondContact O-N 3.2Å; A5-A23 HydrophobicContact CB-CB 4.39Å
6V77.8Confident70.1Confident23 Ų2369.8 Ų69.814%0.13941%0.413CS..EExtended strand (participates in β ladder)trans-92.7129.6179.3177.90000108.7P4 V24 L70 H78P4-V6 PolarHBondContact O-N 3.48Å; V6-V24 PolarHBondContact N-O 2.98Å; V6-V24 PolarHBondContact O-N 3.02Å; V6-L70 HydrophobicContact CG1-CD1 4.17Å; V6-H78 VanDerWaalsContact CG1-CD2 3.49Å; V6-H78 WeakPolarHBondContact CG1-CD2 3.47Å
7V81.9Confident69.5Low52 Ų5277.3 Ų77.332%0.31544%0.443SS..EExtended strand (participates in β ladder)trans-90114.6-178.9-177.80000109.9F21 N76 H78V7-F21 HydrophobicContact CG1-CD1 4.41Å; V7-N76 PolarHBondContact N-O 3.2Å; V7-N76 VanDerWaalsContact O-O 3.07Å; V7-H78 PolarHBondContact O-N 2.66Å
8V84.5Confident69.6Low0 Ų076.4 Ų76.40%044%0.435CS..EExtended strand (participates in β ladder)trans-102.5123.5177.6-177.60000109.5V10 I22 V24 L66 L70 V80V8-V10 HydrophobicContact CG1-CG2 4.26Å; V8-I22 PolarHBondContact N-O 2.95Å; V8-I22 PolarHBondContact O-N 3.07Å; V8-V24 HydrophobicContact CB-CG2 3.96Å; V8-V24 HydrophobicContact CG2-CB 4.14Å; V8-V24 HydrophobicContact CG2-CG2 3.55Å; V8-L66 HydrophobicContact CG2-CD2 4.39Å; V8-L70 HydrophobicContact CG2-CD1 3.89Å; V8-L70 HydrophobicContact CG2-CD2 3.84Å; V8-V80 HydrophobicContact CG1-CB 4.03Å; V8-V80 HydrophobicContact CG1-CG2 3.4Å
9K86.1Confident70.1Confident38 Ų3876.7 Ų76.717%0.16543%0.432CS..EExtended strand (participates in β ladder)trans-96.9104.8175.5-175.9177.4-172173.90109.5R11 E19 F21 H78 V79 V80K9-R11 VanDerWaalsContact CE-NE 3.26Å; K9-R11 HydrophobicContact CG-CG 4.2Å; K9-E19 WeakPolarHBondContact CE-OE1 3.46Å; K9-E19 WeakPolarHBondContact CE-OE2 3.28Å; K9-E19 IonicContact NZ-OE1 3.21Å; K9-E19 PolarHBondContact NZ-OE1 2.83Å; K9-E19 IonicContact NZ-OE2 3.47Å; K9-E19 PolarHBondContact NZ-OE2 2.95Å; K9-F21 HydrophobicContact CB-CD1 4.11Å; K9-F21 HydrophobicContact CB-CE1 4.07Å; K9-F21 HydrophobicContact CD-CD1 4.4Å; K9-F21 HydrophobicContact CD-CE1 3.56Å; K9-F21 HydrophobicContact CD-CZ 3.79Å; K9-F21 VanDerWaalsContact CE-CZ 3.44Å; K9-F21 HydrophobicContact CG-CD1 4.05Å; K9-F21 HydrophobicContact CG-CE1 3.68Å; K9-F21 HydrophobicContact CG-CZ 4.05Å; K9-H78 PolarHBondContact N-O 3.22Å; K9-V79 WeakPolarHBondContact O-CA 3.47Å; K9-V80 PolarHBondContact O-N 2.86Å
10V85.9Confident70.8Confident0 Ų074.4 Ų74.40%042%0.418CS..EExtended strand (participates in β ladder)trans-87.3121.1176.2-176.30000109.3V8 E19 L20 I22 V37 F41 V80 L82V8-V10 HydrophobicContact CG1-CG2 4.26Å; V10-E19 WeakPolarHBondContact O-CA 3.39Å; V10-L20 HydrophobicContact CB-CB 4.3Å; V10-L20 PolarHBondContact N-O 3.27Å; V10-L20 PolarHBondContact O-N 2.78Å; V10-I22 HydrophobicContact CG2-CD1 3.71Å; V10-I22 HydrophobicContact CG2-CG1 4.47Å; V10-V37 HydrophobicContact CG1-CG1 4.36Å; V10-V37 HydrophobicContact CG1-CG2 4.13Å; V10-V37 HydrophobicContact CG2-CG2 3.93Å; V10-F41 HydrophobicContact CG1-CD2 4.35Å; V10-F41 HydrophobicContact CG1-CE2 4.35Å; V10-V80 CarbonylContact C-O 3.58Å; V10-V80 VanDerWaalsContact CA-O 3.26Å; V10-V80 WeakPolarHBondContact CA-O 3.46Å; V10-V80 HydrophobicContact CG2-CB 4.37Å; V10-L82 HydrophobicContact CG1-CB 3.82Å; V10-L82 HydrophobicContact CG1-CD2 4.41Å
11R83.6Confident71.4Confident95 Ų9576.7 Ų76.736%0.35842%0.424SS..EExtended strand (participates in β ladder)trans-117.8130.3176.7-56.9-166.4-165.4-163.21110.3K9 E19 V79 V80 H81 L82K9-R11 VanDerWaalsContact CE-NE 3.26Å; K9-R11 HydrophobicContact CG-CG 4.2Å; R11-E19 WeakPolarHBondContact CD-OE1 3.43Å; R11-E19 HydrophobicContact CG-CG 4.12Å; R11-E19 IonicContact CZ-OE1 3.37Å; R11-E19 IonicContact NE-OE1 2.78Å; R11-E19 PolarHBondContact NE-OE1 3.09Å; R11-E19 VanDerWaalsContact NE-OE1 3.09Å; R11-E19 IonicContact NH1-OE1 2.76Å; R11-E19 PolarHBondContact NH1-OE1 2.65Å; R11-E19 IonicContact NH2-OE1 3.09Å; R11-V79 HydrophobicContact CG-CG1 4.24Å; R11-V80 PolarHBondContact N-O 2.77Å; R11-H81 CarbonylContact O-C 3.6Å; R11-H81 WeakPolarHBondContact O-CA 3.47Å; R11-L82 PolarHBondContact O-N 2.93Å
12S80.4Confident73.6Confident21 Ų2165 Ų6515%0.14737%0.367CS..EExtended strand (participates in β ladder)trans-67.4145.8170.2-177.20000110.6L14 Q18 F41S12-L14 WeakPolarHBondContact OG-CB 3.11Å; S12-L14 PolarHBondContact OG-N 3.12Å; S12-L14 VanDerWaalsContact OG-N 3.12Å; S12-Q18 PolarHBondContact N-O 3.25Å; S12-F41 VanDerWaalsContact CB-CZ 3.5Å
13V72.4Confident75.1Confident40 Ų4062.5 Ų62.524%0.24235%0.353CS..SBendtrans-79.4-6.8171.3-179.60000111.6H81 L82 I83 M136V13-H81 HydrophobicContact CG2-CB 4.13Å; V13-L82 WeakPolarHBondContact CG2-O 3.38Å; V13-L82 PolarHBondContact N-O 2.8Å; V13-I83 HydrophobicContact CB-CG1 4.35Å; V13-I83 HydrophobicContact CG2-CG1 3.69Å; V13-M136 WeakPolarHBondContact O-CE 3.15Å
14L67.3Low76.3Confident101 Ų10160.8 Ų60.853%0.52934%0.335SS..SBendtrans-78.6152175.9-63.7176.1000111.5S12 V16S12-L14 WeakPolarHBondContact OG-CB 3.11Å; S12-L14 PolarHBondContact OG-N 3.12Å; S12-L14 VanDerWaalsContact OG-N 3.12Å; L14-V16 PolarHBondContact O-N 3.15Å
15P58Low77.2Confident109 Ų10959 Ų5971%0.70832%0.32SS*.SBendtrans-65.31.5-174.725.5-35.5000115.2
16V63.6Low77.4Confident84 Ų8460.2 Ų60.251%0.50932%0.316SS..SBendtrans-86.6110.4170.9-164.90000106.9L14 Q18L14-V16 PolarHBondContact O-N 3.15Å; V16-Q18 HydrophobicContact CG1-CG 3.9Å; V16-Q18 PolarHBondContact O-N 2.92Å
17E60Low77.5Confident198 Ų19864.3 Ų64.393%0.92534%0.341SS*.  trans-61.784.5174.2-72.6-170.3155.300110
18Q70.8Confident77.6Confident61 Ų6163.8 Ų63.829%0.28533%0.334SS..  trans-117.8117.7173.4-74.8172.611.100107.9S12 V16 F41 P42S12-Q18 PolarHBondContact N-O 3.25Å; V16-Q18 HydrophobicContact CG1-CG 3.9Å; V16-Q18 PolarHBondContact O-N 2.92Å; Q18-F41 HydrophobicContact CB-CE1 4.16Å; Q18-F41 HydrophobicContact CB-CE2 4.41Å; Q18-F41 HydrophobicContact CB-CZ 3.67Å; Q18-F41 WeakPolarHBondContact O-CZ 3.46Å; Q18-P42 HydrophobicContact CB-CG 4.43Å; Q18-P42 HydrophobicContact CG-CG 4.09Å; Q18-P42 VanDerWaalsContact OE1-CB 3.23Å; Q18-P42 VanDerWaalsContact OE1-CG 3.23Å; Q18-P42 PolarHBondContact OE1-O 3.22Å
19E80.3Confident77.8Confident83 Ų8365 Ų6539%0.38834%0.341SS..EExtended strand (participates in β ladder)trans-120.7125.2-179.9-52.6-171.7133.700107.8K9 V10 R11 F21K9-E19 WeakPolarHBondContact CE-OE1 3.46Å; K9-E19 WeakPolarHBondContact CE-OE2 3.28Å; K9-E19 IonicContact NZ-OE1 3.21Å; K9-E19 PolarHBondContact NZ-OE1 2.83Å; K9-E19 IonicContact NZ-OE2 3.47Å; K9-E19 PolarHBondContact NZ-OE2 2.95Å; V10-E19 WeakPolarHBondContact O-CA 3.39Å; R11-E19 WeakPolarHBondContact CD-OE1 3.43Å; R11-E19 HydrophobicContact CG-CG 4.12Å; R11-E19 IonicContact CZ-OE1 3.37Å; R11-E19 IonicContact NE-OE1 2.78Å; R11-E19 PolarHBondContact NE-OE1 3.09Å; R11-E19 VanDerWaalsContact NE-OE1 3.09Å; R11-E19 IonicContact NH1-OE1 2.76Å; R11-E19 PolarHBondContact NH1-OE1 2.65Å; R11-E19 IonicContact NH2-OE1 3.09Å; E19-F21 HydrophobicContact CB-CE2 4.15Å
20L82.5Confident77.8Confident29 Ų2963.1 Ų63.115%0.15233%0.333CS..EExtended strand (participates in β ladder)trans-111.3120.5175.8176.967.4000108.2V10 I22 N40 F41V10-L20 HydrophobicContact CB-CB 4.3Å; V10-L20 PolarHBondContact N-O 3.27Å; V10-L20 PolarHBondContact O-N 2.78Å; L20-I22 HydrophobicContact CD2-CD1 3.8Å; L20-I22 HydrophobicContact CD2-CG1 3.99Å; L20-I22 HydrophobicContact CG-CD1 4.15Å; L20-I22 HydrophobicContact CG-CG1 3.82Å; L20-N40 HydrophobicContact CD1-CB 3.98Å; L20-N40 HydrophobicContact CD2-CB 3.84Å; L20-F41 HydrophobicContact CB-CD2 3.69Å; L20-F41 HydrophobicContact CB-CE2 4.05Å; L20-F41 HydrophobicContact CD2-CB 4.22Å; L20-F41 HydrophobicContact CD2-CD2 4.05Å
21F83.8Confident77.7Confident123 Ų12368.1 Ų68.154%0.53935%0.354SS..EExtended strand (participates in β ladder)trans-96.5120.6175.8-64.3-94.6000109V7 K9 E19V7-F21 HydrophobicContact CG1-CD1 4.41Å; K9-F21 HydrophobicContact CB-CD1 4.11Å; K9-F21 HydrophobicContact CB-CE1 4.07Å; K9-F21 HydrophobicContact CD-CD1 4.4Å; K9-F21 HydrophobicContact CD-CE1 3.56Å; K9-F21 HydrophobicContact CD-CZ 3.79Å; K9-F21 VanDerWaalsContact CE-CZ 3.44Å; K9-F21 HydrophobicContact CG-CD1 4.05Å; K9-F21 HydrophobicContact CG-CE1 3.68Å; K9-F21 HydrophobicContact CG-CZ 4.05Å; E19-F21 HydrophobicContact CB-CE2 4.15Å
22I84.3Confident77.9Confident3 Ų366.9 Ų66.92%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-119.9124.3-177-52.9171.9000107.8V8 V10 L20 V24 W28 L33 V37V8-I22 PolarHBondContact N-O 2.95Å; V8-I22 PolarHBondContact O-N 3.07Å; V10-I22 HydrophobicContact CG2-CD1 3.71Å; V10-I22 HydrophobicContact CG2-CG1 4.47Å; L20-I22 HydrophobicContact CD2-CD1 3.8Å; L20-I22 HydrophobicContact CD2-CG1 3.99Å; L20-I22 HydrophobicContact CG-CD1 4.15Å; L20-I22 HydrophobicContact CG-CG1 3.82Å; I22-V24 HydrophobicContact CB-CG2 4.26Å; I22-V24 HydrophobicContact CG2-CG2 3.79Å; I22-V24 PolarHBondContact O-N 3.43Å; I22-W28 HydrophobicContact CG2-CH2 3.72Å; I22-W28 HydrophobicContact CG2-CZ3 3.69Å; I22-L33 HydrophobicContact CD1-CD1 3.75Å; I22-V37 HydrophobicContact CD1-CG2 3.72Å
23A84.1Confident78.2Confident61 Ų6165.9 Ų65.950%0.50435%0.348SS..EExtended strand (participates in β ladder)trans-81.3112.816700000108A5A5-A23 HydrophobicContact CB-CB 4.39Å
24V83Confident78.9Confident2 Ų264.2 Ų64.21%0.01234%0.337CS..EExtended strand (participates in β ladder)trans-104.8130.5-175.5-1770000110V6 V8 I22 W28 L33 L66V6-V24 PolarHBondContact N-O 2.98Å; V6-V24 PolarHBondContact O-N 3.02Å; V8-V24 HydrophobicContact CB-CG2 3.96Å; V8-V24 HydrophobicContact CG2-CB 4.14Å; V8-V24 HydrophobicContact CG2-CG2 3.55Å; I22-V24 HydrophobicContact CB-CG2 4.26Å; I22-V24 HydrophobicContact CG2-CG2 3.79Å; I22-V24 PolarHBondContact O-N 3.43Å; V24-W28 HydrophobicContact CB-CD2 4.45Å; V24-W28 HydrophobicContact CB-CE3 4.34Å; V24-W28 HydrophobicContact CG1-CB 3.5Å; V24-W28 HydrophobicContact CG1-CD2 3.66Å; V24-W28 HydrophobicContact CG1-CE3 3.72Å; V24-W28 HydrophobicContact CG1-CG 3.59Å; V24-W28 HydrophobicContact CG2-CE3 4.06Å; V24-W28 HydrophobicContact CG2-CZ3 4.17Å; V24-L33 HydrophobicContact CG2-CD1 4.19Å; V24-L66 HydrophobicContact CB-CD2 4.15Å; V24-L66 HydrophobicContact CG1-CD2 3.45Å; V24-L66 VanDerWaalsContact CG1-CD2 3.45Å; V24-L66 HydrophobicContact CG2-CD2 4.04Å
25D80.4Confident79.8Confident62 Ų6263 Ų6333%0.33233%0.332SS..  trans-79.4154.8170.7-62.4-75.5000111.4T27 W28D25-T27 PolarHBondContact O-N 3.3Å; D25-W28 PolarHBondContact O-N 2.92Å; D25-W28 PolarHBondContact OD2-NE1 3.28Å
26E74.4Confident81.2Confident79 Ų7961 Ų6137%0.36931%0.313SS..THydrogen-bonded Turntrans-59.9-18.8178.9-61.4-165.5171.400114K67E26-K67 HydrophobicContact CB-CD 4.39Å; E26-K67 VanDerWaalsContact CD-NZ 3.26Å; E26-K67 HydrophobicContact CG-CD 4.44Å; E26-K67 IonicContact OE1-NZ 2.65Å; E26-K67 PolarHBondContact OE1-NZ 3.26Å; E26-K67 IonicContact OE2-NZ 3.09Å; E26-K67 PolarHBondContact OE2-NZ 3.02Å
27T80.3Confident82.2Confident109 Ų10957 Ų5767%0.66929%0.289SS*.THydrogen-bonded Turntrans-89.3-4.1-179.4600000113.8D25D25-T27 PolarHBondContact O-N 3.3Å
28W84.7Confident83.4Confident42 Ų4248.8 Ų48.816%0.15925%0.253CS..  trans-71.8134.9-178.6-78.236.2000111.3I22 V24 D25 D32 L33 H36 L66I22-W28 HydrophobicContact CG2-CH2 3.72Å; I22-W28 HydrophobicContact CG2-CZ3 3.69Å; V24-W28 HydrophobicContact CB-CD2 4.45Å; V24-W28 HydrophobicContact CB-CE3 4.34Å; V24-W28 HydrophobicContact CG1-CB 3.5Å; V24-W28 HydrophobicContact CG1-CD2 3.66Å; V24-W28 HydrophobicContact CG1-CE3 3.72Å; V24-W28 HydrophobicContact CG1-CG 3.59Å; V24-W28 HydrophobicContact CG2-CE3 4.06Å; V24-W28 HydrophobicContact CG2-CZ3 4.17Å; D25-W28 PolarHBondContact O-N 2.92Å; D25-W28 PolarHBondContact OD2-NE1 3.28Å; W28-D32 HydrophobicContact CB-CB 4.42Å; W28-D32 HydrophobicContact CD2-CB 4.41Å; W28-D32 HydrophobicContact CE3-CB 4.37Å; W28-D32 HydrophobicContact CG-CB 4.44Å; W28-L33 HydrophobicContact CE3-CB 4.48Å; W28-L33 HydrophobicContact CZ3-CD1 4.37Å; W28-H36 HydrophobicContact CH2-CB 4.07Å; W28-H36 AromaticContact CH2-CE1 3.98Å; W28-H36 AromaticContact CH2-CG 3.72Å; W28-H36 AromaticContact CH2-ND1 3.47Å; W28-H36 WeakPolarHBondContact CH2-ND1 3.41Å; W28-H36 HydrophobicContact CZ3-CB 3.81Å; W28-H36 AromaticContact CZ3-CG 3.9Å; W28-L66 WeakPolarHBondContact O-CB 3.28Å; W28-L66 PolarHBondContact O-N 3.5Å
29T87.4Confident84Confident24 Ų2448.3 Ų48.315%0.14726%0.264CS..BIsolated β-bridgetrans-85.1164.4168.265.30000110.9K31 D32 L33 R64T29-K31 PolarHBondContact O-N 2.68Å; T29-K31 PolarHBondContact OG1-N 2.91Å; T29-D32 WeakPolarHBondContact CB-OD2 3.46Å; T29-D32 PolarHBondContact N-OD2 3.03Å; T29-D32 PolarHBondContact O-N 2.91Å; T29-D32 VanDerWaalsContact O-N 3.15Å; T29-D32 PolarHBondContact OG1-N 3.29Å; T29-D32 PolarHBondContact OG1-OD2 3.13Å; T29-L33 PolarHBondContact O-N 3.41Å; T29-L33 VanDerWaalsContact O-N 3.12Å; T29-R64 WeakPolarHBondContact CA-O 3.49Å
30V86Confident84Confident0 Ų048.6 Ų48.60%027%0.268CS..Hα-helixtrans-54.6-37.3170.3174.90000111.3L33 K34 L59 E60 R64 L66 Y69V30-L33 WeakPolarHBondContact O-CB 3.39Å; V30-L33 PolarHBondContact O-N 2.76Å; V30-K34 HydrophobicContact CG1-CG 4.45Å; V30-K34 WeakPolarHBondContact O-CG 3.41Å; V30-K34 PolarHBondContact O-N 3.25Å; V30-L59 HydrophobicContact CG1-CB 3.71Å; V30-L59 HydrophobicContact CG1-CD2 4.21Å; V30-L59 HydrophobicContact CG1-CG 4.35Å; V30-L59 HydrophobicContact CG2-CB 4.23Å; V30-L59 HydrophobicContact CG2-CD2 4.06Å; V30-L59 HydrophobicContact CG2-CG 4.09Å; V30-E60 VanDerWaalsContact CG1-O 3.28Å; V30-E60 WeakPolarHBondContact CG1-O 3.41Å; V30-R64 PolarHBondContact N-O 3.11Å; V30-L66 HydrophobicContact CG2-CD1 4.36Å; V30-Y69 HydrophobicContact CG2-CD2 4.2Å; V30-Y69 HydrophobicContact CG2-CE2 3.86Å
31K85.6Confident83.8Confident104 Ų10447.5 Ų47.545%0.45226%0.262SS..Hα-helixtrans-64.9-40.8178.4-169.9175.3-176.4175.40112.5T29 L33 K34 N35T29-K31 PolarHBondContact O-N 2.68Å; T29-K31 PolarHBondContact OG1-N 2.91Å; K31-L33 VanDerWaalsContact C-N 3.31Å; K31-L33 PolarHBondContact O-N 3.25Å; K31-K34 PolarHBondContact O-N 2.82Å; K31-N35 WeakPolarHBondContact O-CB 3.47Å; K31-N35 VanDerWaalsContact O-CG 3.27Å; K31-N35 PolarHBondContact O-N 3.18Å; K31-N35 PolarHBondContact O-ND2 3.08Å
32D87Confident83Confident70 Ų7045.1 Ų45.137%0.37426%0.259SS..Hα-helixtrans-63.4-40.9175.1-59.3-45.8000111W28 T29 N35 H36W28-D32 HydrophobicContact CB-CB 4.42Å; W28-D32 HydrophobicContact CD2-CB 4.41Å; W28-D32 HydrophobicContact CE3-CB 4.37Å; W28-D32 HydrophobicContact CG-CB 4.44Å; T29-D32 WeakPolarHBondContact CB-OD2 3.46Å; T29-D32 PolarHBondContact N-OD2 3.03Å; T29-D32 PolarHBondContact O-N 2.91Å; T29-D32 VanDerWaalsContact O-N 3.15Å; T29-D32 PolarHBondContact OG1-N 3.29Å; T29-D32 PolarHBondContact OG1-OD2 3.13Å; D32-N35 PolarHBondContact O-N 2.83Å; D32-H36 WeakPolarHBondContact O-CB 3.39Å; D32-H36 PolarHBondContact O-N 3.05Å
33L86.3Confident82.3Confident0 Ų048.6 Ų48.60%030%0.296CS..Hα-helixtrans-61.8-46.9174-178.165.5000111.6I22 V24 W28 T29 V30 K31 N35 H36 V37 L52 L59 L66I22-L33 HydrophobicContact CD1-CD1 3.75Å; V24-L33 HydrophobicContact CG2-CD1 4.19Å; W28-L33 HydrophobicContact CE3-CB 4.48Å; W28-L33 HydrophobicContact CZ3-CD1 4.37Å; T29-L33 PolarHBondContact O-N 3.41Å; T29-L33 VanDerWaalsContact O-N 3.12Å; V30-L33 WeakPolarHBondContact O-CB 3.39Å; V30-L33 PolarHBondContact O-N 2.76Å; K31-L33 VanDerWaalsContact C-N 3.31Å; K31-L33 PolarHBondContact O-N 3.25Å; L33-N35 PolarHBondContact O-N 3.37Å; L33-H36 PolarHBondContact O-N 3.47Å; L33-V37 HydrophobicContact CD1-CG2 4.37Å; L33-V37 HydrophobicContact CG-CG2 4.46Å; L33-V37 WeakPolarHBondContact O-CB 3.45Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.07Å; L33-L52 HydrophobicContact CB-CD1 4.41Å; L33-L52 HydrophobicContact CD2-CD1 3.67Å; L33-L52 HydrophobicContact CG-CD1 3.82Å; L33-L59 HydrophobicContact CD2-CD2 4.34Å; L33-L66 HydrophobicContact CB-CD2 4.43Å; L33-L66 HydrophobicContact CD1-CD2 4.5Å; L33-L66 HydrophobicContact CD2-CD1 3.61Å; L33-L66 HydrophobicContact CD2-CD2 3.79Å; L33-L66 HydrophobicContact CD2-CG 4.37Å; L33-L66 HydrophobicContact CG-CD2 4.47Å
34K87.7Confident81.7Confident4 Ų452.5 Ų52.52%0.01730%0.304CS..Hα-helixtrans-62.5-40.7177.5-71.2-173-179.3-163.20112.7V30 K31 H36 V37 S38 V47 Q50 L52 D61V30-K34 HydrophobicContact CG1-CG 4.45Å; V30-K34 WeakPolarHBondContact O-CG 3.41Å; V30-K34 PolarHBondContact O-N 3.25Å; K31-K34 PolarHBondContact O-N 2.82Å; K34-H36 VanDerWaalsContact C-N 3.35Å; K34-V37 PolarHBondContact O-N 3.36Å; K34-S38 WeakPolarHBondContact O-CB 3.46Å; K34-S38 PolarHBondContact O-N 3.1Å; K34-V47 HydrophobicContact CB-CG1 3.91Å; K34-V47 HydrophobicContact CD-CG1 4.38Å; K34-Q50 PolarHBondContact NZ-O 3.49Å; K34-Q50 PolarHBondContact O-NE2 2.83Å; K34-Q50 PolarHBondContact O-OE1 2.9Å; K34-L52 HydrophobicContact CB-CD1 4.48Å; K34-L52 HydrophobicContact CG-CD1 3.48Å; K34-L52 VanDerWaalsContact CG-CD1 3.48Å; K34-L52 HydrophobicContact CG-CG 4.02Å; K34-D61 WeakPolarHBondContact CD-OD1 3.29Å; K34-D61 WeakPolarHBondContact CE-OD1 3.43Å; K34-D61 IonicContact NZ-OD1 3.07Å; K34-D61 PolarHBondContact NZ-OD1 3.28Å; K34-D61 IonicContact NZ-OD2 3.97Å; K34-D61 PolarHBondContact NZ-OD2 3.21Å; K34-D61 VanDerWaalsContact NZ-OD2 3.09Å
35N86.1Confident81.3Confident77 Ų7753 Ų5341%0.41231%0.306SS..Hα-helixtrans-61.3-44.5173.6-73.3-31000111.1K31 D32 L33 V37 S38 G39 V47K31-N35 WeakPolarHBondContact O-CB 3.47Å; K31-N35 VanDerWaalsContact O-CG 3.27Å; K31-N35 PolarHBondContact O-N 3.18Å; K31-N35 PolarHBondContact O-ND2 3.08Å; D32-N35 PolarHBondContact O-N 2.83Å; L33-N35 PolarHBondContact O-N 3.37Å; N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 PolarHBondContact O-N 2.77Å; N35-S38 WeakPolarHBondContact O-CB 3.43Å; N35-S38 PolarHBondContact O-N 3.43Å; N35-G39 PolarHBondContact O-N 2.86Å; N35-G39 VanDerWaalsContact O-N 3.1Å; N35-V47 VanDerWaalsContact OD1-CG2 3.28Å; N35-V47 WeakPolarHBondContact OD1-CG2 3.45Å
36H86.3Confident81.4Confident67 Ų6754.6 Ų54.631%0.3132%0.315SS..Hα-helixtrans-64.6-40.2178.2-163.294.1000112W28 D32 L33 K34 G39 N40W28-H36 HydrophobicContact CH2-CB 4.07Å; W28-H36 AromaticContact CH2-CE1 3.98Å; W28-H36 AromaticContact CH2-CG 3.72Å; W28-H36 AromaticContact CH2-ND1 3.47Å; W28-H36 WeakPolarHBondContact CH2-ND1 3.41Å; W28-H36 HydrophobicContact CZ3-CB 3.81Å; W28-H36 AromaticContact CZ3-CG 3.9Å; D32-H36 WeakPolarHBondContact O-CB 3.39Å; D32-H36 PolarHBondContact O-N 3.05Å; L33-H36 PolarHBondContact O-N 3.47Å; K34-H36 VanDerWaalsContact C-N 3.35Å; H36-G39 PolarHBondContact O-N 2.88Å; H36-N40 PolarHBondContact CD2-ND2 3.47Å; H36-N40 PolarHBondContact NE2-ND2 3.15Å; H36-N40 WeakPolarHBondContact O-CB 3.36Å; H36-N40 PolarHBondContact O-N 3.21Å; H36-N40 VanDerWaalsContact O-N 3.08Å; H36-N40 PolarHBondContact O-ND2 3.1Å
37V85.6Confident81.7Confident0 Ų052 Ų520%030%0.304CS..Hα-helixtrans-65.1-41.6173.7172.20000110.8V10 I22 L33 K34 N35 G39 N40 F41 L82V10-V37 HydrophobicContact CG1-CG1 4.36Å; V10-V37 HydrophobicContact CG1-CG2 4.13Å; V10-V37 HydrophobicContact CG2-CG2 3.93Å; I22-V37 HydrophobicContact CD1-CG2 3.72Å; L33-V37 HydrophobicContact CD1-CG2 4.37Å; L33-V37 HydrophobicContact CG-CG2 4.46Å; L33-V37 WeakPolarHBondContact O-CB 3.45Å; L33-V37 VanDerWaalsContact O-CG2 3.25Å; L33-V37 WeakPolarHBondContact O-CG2 3.43Å; L33-V37 PolarHBondContact O-N 3.07Å; K34-V37 PolarHBondContact O-N 3.36Å; N35-V37 VanDerWaalsContact C-N 3.35Å; N35-V37 PolarHBondContact O-N 2.77Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 3.36Å; V37-N40 PolarHBondContact O-N 3.44Å; V37-F41 HydrophobicContact CG1-CB 3.94Å; V37-F41 HydrophobicContact CG1-CG 4.37Å; V37-F41 WeakPolarHBondContact O-CA 3.47Å; V37-F41 WeakPolarHBondContact O-CB 3.47Å; V37-F41 PolarHBondContact O-N 3.48Å; V37-L82 HydrophobicContact CG1-CD1 4.12Å; V37-L82 HydrophobicContact CG1-CD2 3.64Å; V37-L82 HydrophobicContact CG1-CG 4.45Å
38S84.7Confident81.6Confident25 Ų2553.4 Ų53.418%0.17531%0.307CS..Hα-helixtrans-58.9-41.7177.4-166.20000112.2K34 N35 Q44 P45K34-S38 WeakPolarHBondContact O-CB 3.46Å; K34-S38 PolarHBondContact O-N 3.1Å; N35-S38 WeakPolarHBondContact O-CB 3.43Å; N35-S38 PolarHBondContact O-N 3.43Å; S38-Q44 WeakPolarHBondContact O-CA 3.48Å; S38-Q44 WeakPolarHBondContact O-CG 3.25Å; S38-P45 WeakPolarHBondContact CB-O 3.39Å; S38-P45 PolarHBondContact OG-O 3.2Å
39G83Confident81.4Confident50 Ų5052.7 Ų52.752%0.51531%0.309SS..Hα-helixtrans-78.8-31.4-178.500000114.9N35 H36 V37N35-G39 PolarHBondContact O-N 2.86Å; N35-G39 VanDerWaalsContact O-N 3.1Å; H36-G39 PolarHBondContact O-N 2.88Å; V37-G39 VanDerWaalsContact C-N 3.31Å; V37-G39 PolarHBondContact O-N 3.36Å
40N80.3Confident81.3Confident89 Ų8951.6 Ų51.648%0.47630%0.302SS..Hα-helixtrans-111.4-12.1-169.9-64-82.5000114.5L20 H36 V37L20-N40 HydrophobicContact CD1-CB 3.98Å; L20-N40 HydrophobicContact CD2-CB 3.84Å; H36-N40 PolarHBondContact CD2-ND2 3.47Å; H36-N40 PolarHBondContact NE2-ND2 3.15Å; H36-N40 WeakPolarHBondContact O-CB 3.36Å; H36-N40 PolarHBondContact O-N 3.21Å; H36-N40 VanDerWaalsContact O-N 3.08Å; H36-N40 PolarHBondContact O-ND2 3.1Å; V37-N40 PolarHBondContact O-N 3.44Å
41F78.4Confident81.1Confident7 Ų756.6 Ų56.63%0.03132%0.321CS..SBendtrans-87133.4179.8-156.9-89000110.9V10 S12 Q18 L20 V37 G43 Q44 L82V10-F41 HydrophobicContact CG1-CD2 4.35Å; V10-F41 HydrophobicContact CG1-CE2 4.35Å; S12-F41 VanDerWaalsContact CB-CZ 3.5Å; Q18-F41 HydrophobicContact CB-CE1 4.16Å; Q18-F41 HydrophobicContact CB-CE2 4.41Å; Q18-F41 HydrophobicContact CB-CZ 3.67Å; Q18-F41 WeakPolarHBondContact O-CZ 3.46Å; L20-F41 HydrophobicContact CB-CD2 3.69Å; L20-F41 HydrophobicContact CB-CE2 4.05Å; L20-F41 HydrophobicContact CD2-CB 4.22Å; L20-F41 HydrophobicContact CD2-CD2 4.05Å; V37-F41 HydrophobicContact CG1-CB 3.94Å; V37-F41 HydrophobicContact CG1-CG 4.37Å; V37-F41 WeakPolarHBondContact O-CA 3.47Å; V37-F41 WeakPolarHBondContact O-CB 3.47Å; V37-F41 PolarHBondContact O-N 3.48Å; F41-G43 PolarHBondContact O-N 3.18Å; F41-Q44 PolarHBondContact O-N 3.09Å; F41-Q44 VanDerWaalsContact O-N 3.1Å; F41-L82 HydrophobicContact CB-CD2 4.5Å; F41-L82 HydrophobicContact CD1-CD2 3.72Å; F41-L82 HydrophobicContact CD2-CD2 4.05Å; F41-L82 HydrophobicContact CE1-CD2 3.96Å; F41-L82 HydrophobicContact CE2-CD2 4.26Å; F41-L82 HydrophobicContact CG-CD2 3.8Å; F41-L82 HydrophobicContact CZ-CD2 4.24Å
42P68Low81.2Confident72 Ų7251.7 Ų51.747%0.46830%0.299SS..THydrogen-bonded Turntrans-65.2126.1179-6.720.2000109.9Q18Q18-P42 HydrophobicContact CB-CG 4.43Å; Q18-P42 HydrophobicContact CG-CG 4.09Å; Q18-P42 VanDerWaalsContact OE1-CB 3.23Å; Q18-P42 VanDerWaalsContact OE1-CG 3.23Å; Q18-P42 PolarHBondContact OE1-O 3.22Å
43G68.7Low81.1Confident76 Ų7649.8 Ų49.878%0.78429%0.29SS*.THydrogen-bonded Turntrans105.4-4.6-17200000114.7F41 P45F41-G43 PolarHBondContact O-N 3.18Å; G43-P45 VanDerWaalsContact O-N 3.17Å
44Q72.1Confident81Confident144 Ų14450 Ų5067%0.67329%0.292SS*.  trans34.762.7172.9-70-175.2-6.900113.5S38 F41 D46S38-Q44 WeakPolarHBondContact O-CA 3.48Å; S38-Q44 WeakPolarHBondContact O-CG 3.25Å; F41-Q44 PolarHBondContact O-N 3.09Å; F41-Q44 VanDerWaalsContact O-N 3.1Å; Q44-D46 PolarHBondContact O-N 3.14Å
45P74.6Confident80.5Confident11 Ų1153.3 Ų53.37%0.07132%0.32CS..  trans-64.3135.3179.925.2-29.6000109.2S38 G43 Q50 L82 C84S38-P45 WeakPolarHBondContact CB-O 3.39Å; S38-P45 PolarHBondContact OG-O 3.2Å; G43-P45 VanDerWaalsContact O-N 3.17Å; P45-Q50 HydrophobicContact CB-CG 3.69Å; P45-Q50 HydrophobicContact CG-CG 3.78Å; P45-Q50 PolarHBondContact O-NE2 2.84Å; P45-L82 HydrophobicContact CG-CD2 4.18Å; P45-C84 HydrophobicContact CB-CB 4.31Å; P45-C84 WeakPolarHBondContact CB-SG 3.43Å
46D81.5Confident79.9Confident96 Ų9652.5 Ų52.551%0.51333%0.33SS..  trans-61.8139.8174.9179.334.4000109.5Q44 L48 S49 Q50Q44-D46 PolarHBondContact O-N 3.14Å; D46-L48 PolarHBondContact O-N 3.37Å; D46-S49 PolarHBondContact N-OG 3.44Å; D46-S49 WeakPolarHBondContact O-CA 3.36Å; D46-S49 WeakPolarHBondContact O-CB 3.44Å; D46-S49 PolarHBondContact O-N 2.83Å; D46-S49 PolarHBondContact O-OG 3.42Å; D46-Q50 WeakPolarHBondContact O-CG 3.42Å; D46-Q50 PolarHBondContact O-N 3.25Å; D46-Q50 VanDerWaalsContact O-N 3.13Å
47V81.3Confident79.7Confident24 Ų2455.8 Ų55.815%0.14534%0.341CS..THydrogen-bonded Turntrans-53.3-35.6-173.5177.20000111.5K34 N35 Q50K34-V47 HydrophobicContact CB-CG1 3.91Å; K34-V47 HydrophobicContact CD-CG1 4.38Å; N35-V47 VanDerWaalsContact OD1-CG2 3.28Å; N35-V47 WeakPolarHBondContact OD1-CG2 3.45Å; V47-Q50 PolarHBondContact O-N 2.78Å
48L78.6Confident79.5Confident139 Ų13959.4 Ų59.473%0.72836%0.36SS*.THydrogen-bonded Turntrans-76.2-27.9178.6-59177.7000113.4D46 Q50D46-L48 PolarHBondContact O-N 3.37Å; L48-Q50 VanDerWaalsContact C-N 3.29Å
49S80.3Confident79.4Confident28 Ų2858.3 Ų58.320%0.19635%0.352CS..THydrogen-bonded Turntrans-79.2-15.5175.176.80000112.5D46 K85D46-S49 PolarHBondContact N-OG 3.44Å; D46-S49 WeakPolarHBondContact O-CA 3.36Å; D46-S49 WeakPolarHBondContact O-CB 3.44Å; D46-S49 PolarHBondContact O-N 2.83Å; D46-S49 PolarHBondContact O-OG 3.42Å; S49-K85 PolarHBondContact O-N 3.03Å
50Q84.9Confident79.3Confident1 Ų161 Ų611%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-82.2128.1-178.3-65.4176.124.100112.6K34 P45 D46 V47 L48 L82K34-Q50 PolarHBondContact NZ-O 3.49Å; K34-Q50 PolarHBondContact O-NE2 2.83Å; K34-Q50 PolarHBondContact O-OE1 2.9Å; P45-Q50 HydrophobicContact CB-CG 3.69Å; P45-Q50 HydrophobicContact CG-CG 3.78Å; P45-Q50 PolarHBondContact O-NE2 2.84Å; D46-Q50 WeakPolarHBondContact O-CG 3.42Å; D46-Q50 PolarHBondContact O-N 3.25Å; D46-Q50 VanDerWaalsContact O-N 3.13Å; V47-Q50 PolarHBondContact O-N 2.78Å; L48-Q50 VanDerWaalsContact C-N 3.29Å; Q50-L82 HydrophobicContact CB-CD1 4.01Å; Q50-L82 HydrophobicContact CG-CD1 3.93Å
51R83Confident78.9Confident105 Ų10560.3 Ų60.340%0.39635%0.347SS..EExtended strand (participates in β ladder)trans-117.5114.7166.1-72.5-176.7172.8-149.9-8.6108.9L58 I83R51-L58 HydrophobicContact CB-CD1 3.92Å; R51-L58 HydrophobicContact CG-CD1 4.29Å; R51-I83 HydrophobicContact CB-CB 4.07Å; R51-I83 PolarHBondContact N-O 2.79Å; R51-I83 PolarHBondContact O-N 3.47Å
52L86.4Confident78.6Confident0 Ų063.7 Ų63.70%037%0.366CS..EExtended strand (participates in β ladder)trans-94.9132.9176.4-64.2179.8000108.8L33 K34 L59 V80 H81 L82L33-L52 HydrophobicContact CB-CD1 4.41Å; L33-L52 HydrophobicContact CD2-CD1 3.67Å; L33-L52 HydrophobicContact CG-CD1 3.82Å; K34-L52 HydrophobicContact CB-CD1 4.48Å; K34-L52 HydrophobicContact CG-CD1 3.48Å; K34-L52 VanDerWaalsContact CG-CD1 3.48Å; K34-L52 HydrophobicContact CG-CG 4.02Å; L52-L59 HydrophobicContact CB-CB 3.99Å; L52-L59 HydrophobicContact CB-CD2 4.24Å; L52-L59 WeakPolarHBondContact O-CB 3.47Å; L52-L59 PolarHBondContact O-N 3.27Å; L52-V80 HydrophobicContact CB-CG1 3.83Å; L52-V80 HydrophobicContact CD2-CG1 3.89Å; L52-V80 HydrophobicContact CG-CG1 4.3Å; L52-H81 CarbonylContact C-O 3.55Å; L52-H81 WeakPolarHBondContact CA-O 3.49Å; L52-L82 HydrophobicContact CD2-CB 4.18Å; L52-L82 HydrophobicContact CD2-CD1 3.7Å
53V85.7Confident78.5Confident30 Ų3066.4 Ų66.418%0.18238%0.376CS..EExtended strand (participates in β ladder)trans-123.8117.8178-179.30000108.9Y57 L58 V80 H81 I83V53-Y57 CarbonylContact C-O 3.53Å; V53-Y57 VanDerWaalsContact CA-O 3.29Å; V53-Y57 WeakPolarHBondContact CA-O 3.33Å; V53-L58 HydrophobicContact CG2-CD1 3.92Å; V53-V80 CarbonylContact O-C 3.59Å; V53-V80 WeakPolarHBondContact O-CA 3Å; V53-H81 HydrophobicContact CB-CB 4.29Å; V53-H81 PolarHBondContact N-O 3.12Å; V53-H81 PolarHBondContact O-N 2.84Å; V53-I83 HydrophobicContact CG2-CD1 3.77Å
54C83.5Confident78.9Confident4 Ų469.1 Ų69.13%0.02736%0.363CS..EExtended strand (participates in β ladder)trans-114.9124.1177.8-171.70000109.7G56 Y57 L59 V80C54-G56 PolarHBondContact O-N 3.23Å; C54-Y57 PolarHBondContact N-O 3.37Å; C54-Y57 WeakPolarHBondContact O-CB 3.49Å; C54-Y57 PolarHBondContact O-N 2.91Å; C54-L59 HydrophobicContact CB-CD1 3.41Å; C54-L59 VanDerWaalsContact CB-CD1 3.41Å; C54-V80 HydrophobicContact CB-CG2 4.07Å
55A76.5Confident79.2Confident75 Ų7566 Ų6662%0.6235%0.35SS*.THydrogen-bonded Turntrans47.933176.100000115
56G75.5Confident79.5Confident60 Ų6065.6 Ų65.662%0.61935%0.347SS*.THydrogen-bonded Turntrans90.6-8.5-177.600000115.7C54C54-G56 PolarHBondContact O-N 3.23Å
57Y80.3Confident79.2Confident136 Ų13665.1 Ų65.153%0.53334%0.341SS..EExtended strand (participates in β ladder)trans-91.2128175.4-63.9-84.3000110.7V53 C54 L59V53-Y57 CarbonylContact C-O 3.53Å; V53-Y57 VanDerWaalsContact CA-O 3.29Å; V53-Y57 WeakPolarHBondContact CA-O 3.33Å; C54-Y57 PolarHBondContact N-O 3.37Å; C54-Y57 WeakPolarHBondContact O-CB 3.49Å; C54-Y57 PolarHBondContact O-N 2.91Å; Y57-L59 WeakPolarHBondContact O-CD1 3.03Å; Y57-L59 PolarHBondContact O-N 2.87Å
58L83.3Confident79Confident76 Ų7669 Ų6940%0.39836%0.361SS..EExtended strand (participates in β ladder)trans-73.2120.9167.4-177.967.6000108.2R51 V53 E60R51-L58 HydrophobicContact CB-CD1 3.92Å; R51-L58 HydrophobicContact CG-CD1 4.29Å; V53-L58 HydrophobicContact CG2-CD1 3.92Å; L58-E60 PolarHBondContact O-N 3.45Å
59L82.2Confident78.7Confident1 Ų164.3 Ų64.31%0.00533%0.334CS..EExtended strand (participates in β ladder)trans-78.8103175.9-8867.3000108.2V30 L33 L52 C54 Y57 L66 Y69V30-L59 HydrophobicContact CG1-CB 3.71Å; V30-L59 HydrophobicContact CG1-CD2 4.21Å; V30-L59 HydrophobicContact CG1-CG 4.35Å; V30-L59 HydrophobicContact CG2-CB 4.23Å; V30-L59 HydrophobicContact CG2-CD2 4.06Å; V30-L59 HydrophobicContact CG2-CG 4.09Å; L33-L59 HydrophobicContact CD2-CD2 4.34Å; L52-L59 HydrophobicContact CB-CB 3.99Å; L52-L59 HydrophobicContact CB-CD2 4.24Å; L52-L59 WeakPolarHBondContact O-CB 3.47Å; L52-L59 PolarHBondContact O-N 3.27Å; C54-L59 HydrophobicContact CB-CD1 3.41Å; C54-L59 VanDerWaalsContact CB-CD1 3.41Å; Y57-L59 WeakPolarHBondContact O-CD1 3.03Å; Y57-L59 PolarHBondContact O-N 2.87Å; L59-L66 HydrophobicContact CD2-CD1 3.47Å; L59-L66 VanDerWaalsContact CD2-CD1 3.47Å; L59-Y69 HydrophobicContact CD1-CD1 4.01Å; L59-Y69 HydrophobicContact CD1-CE1 4.5Å; L59-Y69 HydrophobicContact CD1-CG 4.09Å; L59-Y69 HydrophobicContact CG-CD1 4.3Å; L59-Y69 HydrophobicContact CG-CD2 4.2Å; L59-Y69 HydrophobicContact CG-CE2 4.45Å; L59-Y69 HydrophobicContact CG-CG 4.12Å
60E80.2Confident78.5Confident107 Ų10763.3 Ų63.350%0.533%0.326SS..  trans-70.1154.7175.3-65.8178.1173.900110.7V30 L58 D62V30-E60 VanDerWaalsContact CG1-O 3.28Å; V30-E60 WeakPolarHBondContact CG1-O 3.41Å; L58-E60 PolarHBondContact O-N 3.45Å; E60-D62 PolarHBondContact O-N 2.88Å
61D72.5Confident77.6Confident74 Ų7469.3 Ų69.340%0.39635%0.349SS..SBendtrans-68.87.9-178.5-74.5-56.5000114.6K34K34-D61 WeakPolarHBondContact CD-OD1 3.29Å; K34-D61 WeakPolarHBondContact CE-OD1 3.43Å; K34-D61 IonicContact NZ-OD1 3.07Å; K34-D61 PolarHBondContact NZ-OD1 3.28Å; K34-D61 IonicContact NZ-OD2 3.97Å; K34-D61 PolarHBondContact NZ-OD2 3.21Å; K34-D61 VanDerWaalsContact NZ-OD2 3.09Å
62D72.1Confident76.6Confident79 Ų7967.8 Ų67.842%0.42235%0.352SS..SBendtrans-63.7151.2177.9-70.8-12.4000111.2E60 R64E60-D62 PolarHBondContact O-N 2.88Å; D62-R64 HydrophobicContact CB-CG 4.19Å; D62-R64 PolarHBondContact O-N 3.06Å
63N65.8Low75.3Confident128 Ų12876.1 Ų76.168%0.68439%0.391SS*.SBendtrans-69.327.2175-72.1-13000113.2
64R76.1Confident74Confident134 Ų13480.1 Ų80.151%0.50642%0.415SS..  trans-68.4143.6174.2-72.9-178.3-178.4-97.82.8109.7T29 V30 D62 Y69T29-R64 WeakPolarHBondContact CA-O 3.49Å; V30-R64 PolarHBondContact N-O 3.11Å; D62-R64 HydrophobicContact CB-CG 4.19Å; D62-R64 PolarHBondContact O-N 3.06Å; R64-Y69 HydrophobicContact CB-CE2 4.07Å; R64-Y69 WeakPolarHBondContact CD-OH 3.42Å
65L80Confident73.1Confident78 Ų7881.3 Ų81.341%0.40843%0.429SS..BIsolated β-bridgetrans-69.5135.4177.3-70164.5000108.7K67 D68L65-K67 PolarHBondContact O-N 2.81Å; L65-K67 VanDerWaalsContact O-N 3.14Å; L65-D68 PolarHBondContact O-N 3.39Å; L65-D68 VanDerWaalsContact O-N 3.09Å
66L79.2Confident72.6Confident2 Ų282.9 Ų82.91%0.0143%0.426CS..G310 helixtrans-61.1-27179.8-168.568.7000111.7V8 V24 W28 V30 L33 L59 D68 Y69 L70V8-L66 HydrophobicContact CG2-CD2 4.39Å; V24-L66 HydrophobicContact CB-CD2 4.15Å; V24-L66 HydrophobicContact CG1-CD2 3.45Å; V24-L66 VanDerWaalsContact CG1-CD2 3.45Å; V24-L66 HydrophobicContact CG2-CD2 4.04Å; W28-L66 WeakPolarHBondContact O-CB 3.28Å; W28-L66 PolarHBondContact O-N 3.5Å; V30-L66 HydrophobicContact CG2-CD1 4.36Å; L33-L66 HydrophobicContact CB-CD2 4.43Å; L33-L66 HydrophobicContact CD1-CD2 4.5Å; L33-L66 HydrophobicContact CD2-CD1 3.61Å; L33-L66 HydrophobicContact CD2-CD2 3.79Å; L33-L66 HydrophobicContact CD2-CG 4.37Å; L33-L66 HydrophobicContact CG-CD2 4.47Å; L59-L66 HydrophobicContact CD2-CD1 3.47Å; L59-L66 VanDerWaalsContact CD2-CD1 3.47Å; L66-D68 PolarHBondContact O-N 2.98Å; L66-Y69 PolarHBondContact O-N 2.89Å; L66-L70 HydrophobicContact CB-CD1 4.24Å; L66-L70 HydrophobicContact CD2-CD1 3.47Å; L66-L70 VanDerWaalsContact CD2-CD1 3.47Å; L66-L70 HydrophobicContact CD2-CG 4.29Å; L66-L70 HydrophobicContact CG-CD1 3.46Å; L66-L70 VanDerWaalsContact CG-CD1 3.46Å; L66-L70 HydrophobicContact CG-CG 3.87Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 2.8Å
67K76Confident72.2Confident87 Ų8787.5 Ų87.538%0.37843%0.432SS..G310 helixtrans-55.7-29.5175.1-169.6173.6-175172.60113.6E26 L65 Y69 L70E26-K67 HydrophobicContact CB-CD 4.39Å; E26-K67 VanDerWaalsContact CD-NZ 3.26Å; E26-K67 HydrophobicContact CG-CD 4.44Å; E26-K67 IonicContact OE1-NZ 2.65Å; E26-K67 PolarHBondContact OE1-NZ 3.26Å; E26-K67 IonicContact OE2-NZ 3.09Å; E26-K67 PolarHBondContact OE2-NZ 3.02Å; L65-K67 PolarHBondContact O-N 2.81Å; L65-K67 VanDerWaalsContact O-N 3.14Å; K67-Y69 PolarHBondContact O-N 2.97Å; K67-L70 VanDerWaalsContact O-O 3.1Å
68D76.2Confident72.1Confident105 Ų10581.8 Ų81.856%0.56141%0.41SS*.G310 helixtrans-69.6-26.9178.7-63.9-18.7000111.9L65 L66L65-D68 PolarHBondContact O-N 3.39Å; L65-D68 VanDerWaalsContact O-N 3.09Å; L66-D68 PolarHBondContact O-N 2.98Å
69Y74Confident72.1Confident40 Ų4080.8 Ų80.816%0.15741%0.407CS..THydrogen-bonded Turntrans-94.3-31.9177.3-60-82.4000112.4V30 L59 R64 L66 K67 R71V30-Y69 HydrophobicContact CG2-CD2 4.2Å; V30-Y69 HydrophobicContact CG2-CE2 3.86Å; L59-Y69 HydrophobicContact CD1-CD1 4.01Å; L59-Y69 HydrophobicContact CD1-CE1 4.5Å; L59-Y69 HydrophobicContact CD1-CG 4.09Å; L59-Y69 HydrophobicContact CG-CD1 4.3Å; L59-Y69 HydrophobicContact CG-CD2 4.2Å; L59-Y69 HydrophobicContact CG-CE2 4.45Å; L59-Y69 HydrophobicContact CG-CG 4.12Å; R64-Y69 HydrophobicContact CB-CE2 4.07Å; R64-Y69 WeakPolarHBondContact CD-OH 3.42Å; L66-Y69 PolarHBondContact O-N 2.89Å; K67-Y69 PolarHBondContact O-N 2.97Å; Y69-R71 PolarHBondContact O-N 2.82Å
70L74.4Confident72.3Confident7 Ų780.7 Ų80.74%0.03741%0.406CS..SBendtrans-85.388178.1-62.2171.1000109.4V6 V8 L66 K67 P72 H78V6-L70 HydrophobicContact CG1-CD1 4.17Å; V8-L70 HydrophobicContact CG2-CD1 3.89Å; V8-L70 HydrophobicContact CG2-CD2 3.84Å; L66-L70 HydrophobicContact CB-CD1 4.24Å; L66-L70 HydrophobicContact CD2-CD1 3.47Å; L66-L70 VanDerWaalsContact CD2-CD1 3.47Å; L66-L70 HydrophobicContact CD2-CG 4.29Å; L66-L70 HydrophobicContact CG-CD1 3.46Å; L66-L70 VanDerWaalsContact CG-CD1 3.46Å; L66-L70 HydrophobicContact CG-CG 3.87Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 2.8Å; K67-L70 VanDerWaalsContact O-O 3.1Å; L70-P72 WeakPolarHBondContact O-CD 3.26Å; L70-P72 VanDerWaalsContact O-N 3.09Å; L70-H78 HydrophobicContact CD2-CB 3.28Å; L70-H78 VanDerWaalsContact CD2-CD2 3.43Å; L70-H78 WeakPolarHBondContact CD2-CD2 3.39Å
71R67.3Low72.6Confident128 Ų12878.8 Ų78.848%0.48340%0.397SS..  trans-66.7103.8176.6-82.6-170.3-91.6-176-6.2110.7Y69 E73 V74 H78Y69-R71 PolarHBondContact O-N 2.82Å; R71-E73 PolarHBondContact O-N 2.87Å; R71-V74 HydrophobicContact CB-CG2 4.02Å; R71-V74 PolarHBondContact O-N 2.78Å; R71-H78 PolarHBondContact O-CE1 2.8Å
72P61.7Low73.2Confident72 Ų7275.3 Ų75.347%0.46838%0.378SS..G310 helixtrans-61.8-24.5-174.1-16.430.9000112.2L70 V74 G75L70-P72 WeakPolarHBondContact O-CD 3.26Å; L70-P72 VanDerWaalsContact O-N 3.09Å; P72-V74 PolarHBondContact O-N 3.31Å; P72-G75 PolarHBondContact O-N 3.3Å
73E58.4Low73.8Confident176 Ų17674.7 Ų74.782%0.82237%0.374SS*.G310 helixtrans-59.4-23.8177.7-64158.2-17600113.8R71 G75R71-E73 PolarHBondContact O-N 2.87Å; E73-G75 VanDerWaalsContact C-N 3.33Å
74V60Low74.3Confident113 Ų11370.9 Ų70.969%0.68536%0.357SS*.G310 helixtrans-88.8-5.9-179.7-169.80000111.6R71 P72R71-V74 HydrophobicContact CB-CG2 4.02Å; R71-V74 PolarHBondContact O-N 2.78Å; P72-V74 PolarHBondContact O-N 3.31Å
75G63.5Low73.9Confident30 Ų3069.8 Ų69.831%0.30936%0.356SS..  trans108.6166.3179.700000113.4P72 E73 H77 H78P72-G75 PolarHBondContact O-N 3.3Å; E73-G75 VanDerWaalsContact C-N 3.33Å; G75-H77 PolarHBondContact O-N 3.03Å; G75-H78 PolarHBondContact O-CE1 2.81Å; G75-H78 PolarHBondContact O-NE2 3.43Å
76N65.9Low72.6Confident107 Ų10769.1 Ų69.157%0.57237%0.368SS*.SBendtrans-74.66.2-172.1-61.2-24000115V7V7-N76 PolarHBondContact N-O 3.2Å; V7-N76 VanDerWaalsContact O-O 3.07Å
77H67.9Low70.8Confident157 Ų15775.7 Ų75.773%0.72741%0.413SS*.EExtended strand (participates in β ladder)trans-116.596.9-177.1-65.4111.7000109.6G75G75-H77 PolarHBondContact O-N 3.03Å
78H78Confident68.9Low17 Ų1779.9 Ų79.98%0.07944%0.436CS..EExtended strand (participates in β ladder)trans-101.8134.9175.6-64.5-68.4000110.7V6 V7 K9 L70 R71 G75V6-H78 VanDerWaalsContact CG1-CD2 3.49Å; V6-H78 WeakPolarHBondContact CG1-CD2 3.47Å; V7-H78 PolarHBondContact O-N 2.66Å; K9-H78 PolarHBondContact N-O 3.22Å; L70-H78 HydrophobicContact CD2-CB 3.28Å; L70-H78 VanDerWaalsContact CD2-CD2 3.43Å; L70-H78 WeakPolarHBondContact CD2-CD2 3.39Å; R71-H78 PolarHBondContact O-CE1 2.8Å; G75-H78 PolarHBondContact O-CE1 2.81Å; G75-H78 PolarHBondContact O-NE2 3.43Å
79V82.6Confident67.2Low54 Ų5483.8 Ų83.833%0.32745%0.451SS..EExtended strand (participates in β ladder)trans-100.7123.6174.8-177.30000108.8K9 R11K9-V79 WeakPolarHBondContact O-CA 3.47Å; R11-V79 HydrophobicContact CG-CG1 4.24Å
80V86.2Confident65.5Low0 Ų090.1 Ų90.10%048%0.482CS..EExtended strand (participates in β ladder)trans-112.8124.3174.9176.60000108.1V8 K9 V10 R11 L52 V53 C54V8-V80 HydrophobicContact CG1-CB 4.03Å; V8-V80 HydrophobicContact CG1-CG2 3.4Å; K9-V80 PolarHBondContact O-N 2.86Å; V10-V80 CarbonylContact C-O 3.58Å; V10-V80 VanDerWaalsContact CA-O 3.26Å; V10-V80 WeakPolarHBondContact CA-O 3.46Å; V10-V80 HydrophobicContact CG2-CB 4.37Å; R11-V80 PolarHBondContact N-O 2.77Å; L52-V80 HydrophobicContact CB-CG1 3.83Å; L52-V80 HydrophobicContact CD2-CG1 3.89Å; L52-V80 HydrophobicContact CG-CG1 4.3Å; V53-V80 CarbonylContact O-C 3.59Å; V53-V80 WeakPolarHBondContact O-CA 3Å; C54-V80 HydrophobicContact CB-CG2 4.07Å
81H86.5Confident63.8Low67 Ų6795.2 Ų95.231%0.3152%0.515SS..EExtended strand (participates in β ladder)trans-88.7124.4176.3-67.7-87.3000109.8R11 V13 L52 V53R11-H81 CarbonylContact O-C 3.6Å; R11-H81 WeakPolarHBondContact O-CA 3.47Å; V13-H81 HydrophobicContact CG2-CB 4.13Å; L52-H81 CarbonylContact C-O 3.55Å; L52-H81 WeakPolarHBondContact CA-O 3.49Å; V53-H81 HydrophobicContact CB-CB 4.29Å; V53-H81 PolarHBondContact N-O 3.12Å; V53-H81 PolarHBondContact O-N 2.84Å
82L84.7Confident62.2Low0 Ų094.1 Ų94.10%053%0.527CS..EExtended strand (participates in β ladder)trans-95.8121.7176.217265000110.1V10 R11 V13 V37 F41 P45 Q50 L52V10-L82 HydrophobicContact CG1-CB 3.82Å; V10-L82 HydrophobicContact CG1-CD2 4.41Å; R11-L82 PolarHBondContact O-N 2.93Å; V13-L82 WeakPolarHBondContact CG2-O 3.38Å; V13-L82 PolarHBondContact N-O 2.8Å; V37-L82 HydrophobicContact CG1-CD1 4.12Å; V37-L82 HydrophobicContact CG1-CD2 3.64Å; V37-L82 HydrophobicContact CG1-CG 4.45Å; F41-L82 HydrophobicContact CB-CD2 4.5Å; F41-L82 HydrophobicContact CD1-CD2 3.72Å; F41-L82 HydrophobicContact CD2-CD2 4.05Å; F41-L82 HydrophobicContact CE1-CD2 3.96Å; F41-L82 HydrophobicContact CE2-CD2 4.26Å; F41-L82 HydrophobicContact CG-CD2 3.8Å; F41-L82 HydrophobicContact CZ-CD2 4.24Å; P45-L82 HydrophobicContact CG-CD2 4.18Å; Q50-L82 HydrophobicContact CB-CD1 4.01Å; Q50-L82 HydrophobicContact CG-CD1 3.93Å; L52-L82 HydrophobicContact CD2-CB 4.18Å; L52-L82 HydrophobicContact CD2-CD1 3.7Å
83I84.7Confident61.2Low66 Ų6696.9 Ų96.934%0.33855%0.545SS..EExtended strand (participates in β ladder)trans-113.6115.4174.4-58.3162.1000107.6V13 R51 V53V13-I83 HydrophobicContact CB-CG1 4.35Å; V13-I83 HydrophobicContact CG2-CG1 3.69Å; R51-I83 HydrophobicContact CB-CB 4.07Å; R51-I83 PolarHBondContact N-O 2.79Å; R51-I83 PolarHBondContact O-N 3.47Å; V53-I83 HydrophobicContact CG2-CD1 3.77Å
84C77.2Confident60.1Low48 Ų4891.7 Ų91.732%0.32454%0.539SS..EExtended strand (participates in β ladder)trans-93.7119.9174.6-55.20000109P45 G86P45-C84 HydrophobicContact CB-CB 4.31Å; P45-C84 WeakPolarHBondContact CB-SG 3.43Å; C84-G86 PolarHBondContact O-N 3.06Å
85K67.3Low58.6Low112 Ų11291.6 Ų91.649%0.48754%0.542SS..  trans-78104.3171.1-74.7-174.6152.4-165.50109.6S49S49-K85 PolarHBondContact O-N 3.03Å
86G53.1Low57.6Low64 Ų6498.5 Ų98.566%0.6657%0.57SS**  trans38.383.5157.700000117C84 M88C84-G86 PolarHBondContact O-N 3.06Å; G86-M88 PolarHBondContact O-N 3.25Å
87C40.4Very low56.5Low140 Ų140101.3 Ų101.395%0.94658%0.58SS**  trans-75.577.5146.3-168.50000107
88M37.3Very low55Low175 Ų17599.9 Ų99.986%0.86259%0.585SS**  trans-138.297.4166.1-90-95.8-129.500103.6G86 E90G86-M88 PolarHBondContact O-N 3.25Å; M88-E90 PolarHBondContact O-N 3.13Å; M88-E90 VanDerWaalsContact O-N 3.15Å
89E40.9Very low53.4Low187 Ų187108.8 Ų108.887%0.87463%0.626SS**  trans-50.1119.2168-77.8174.5119.900108.2P91E89-P91 WeakPolarHBondContact O-CD 3.11Å
90E37.5Very low51.4Low172 Ų172116.3 Ų116.380%0.80465%0.649SS**  trans-61.6122.4164.2-138.5-138.3133.400106.7M88 S92M88-E90 PolarHBondContact O-N 3.13Å; M88-E90 VanDerWaalsContact O-N 3.15Å; E90-S92 VanDerWaalsContact C-N 3.33Å; E90-S92 PolarHBondContact O-N 3.06Å
91P37.8Very low49.4Very low114 Ų114123.6 Ų123.674%0.7468%0.683SS**  trans-68.996.4179.226.1-30.1000108.6E89E89-P91 WeakPolarHBondContact O-CD 3.11Å
92S34.7Very low47.2Very low106 Ų106126.4 Ų126.474%0.74171%0.705SS**  trans-55.6126.2172.9-173.40000110E90 G94E90-S92 VanDerWaalsContact C-N 3.33Å; E90-S92 PolarHBondContact O-N 3.06Å; S92-G94 PolarHBondContact O-N 3.03Å
93P40.3Very low45Very low129 Ų129132.2 Ų132.284%0.83874%0.742SS**  trans-80.3102.8-179.530.6-29.9000109.3
94G34.9Very low42.9Very low68 Ų68133.7 Ų133.770%0.70177%0.765SS**  trans167.3123.1167.900000117.1S92S92-G94 PolarHBondContact O-N 3.03Å
95C29.7Very low41.2Very low110 Ų110136 Ų13674%0.74379%0.787SS**  trans86.493.4153.7-160.60000117.3
96I41.6Very low40Very low175 Ų175135.8 Ų135.890%0.89780%0.8SS**  -143.1138.9125.8-58.2-166.6000108.8
97Q43.8Very low39.6Very low167 Ų167141.8 Ų141.878%0.7881%0.811SS**  trans-82.4167.6-161.2-66175.253.300115.3
98P35.5Very low39.7Very low127 Ų127141.5 Ų141.583%0.82581%0.805SS**  trans-94.4138.9-175.435.9-28.3000112.7
99E44.6Very low40.2Very low204 Ų204138 Ų13895%0.95380%0.795SS**  trans-135.9150.3162.6-155.6165.688.800110.7
100R41.9Very low40.3Very low211 Ų211137.5 Ų137.580%0.79679%0.793SS**  trans-124.9165.8-138.4-172.6-159171.4145.5-1.1110.1
101E43.7Very low40.6Very low153 Ų153136.1 Ų136.172%0.71579%0.791SS**  trans88.8129.9157.6-45.8-172.5140.100116.7
102T40.2Very low40.9Very low127 Ų127138 Ų13878%0.77980%0.795SS**  cis-162.9151.232.8-59.70000111.7
103P38Very low41.2Very low121 Ų121136.4 Ų136.479%0.78680%0.795SS**  trans-110.7156.7179.939.3-28.9000115.4
104A41Very low41.5Very low98 Ų98136 Ų13681%0.8179%0.792SS**  trans-170.9107157.300000109.9
105A40.5Very low41.8Very low96 Ų96140.3 Ų140.379%0.79380%0.799SS**  79.6107.889.200000114.7
106S43.5Very low42.7Very low108 Ų108139.9 Ų139.976%0.75580%0.797SS**  166.7127.7120.9-880000114
107E43.9Very low42.8Very low189 Ų189137.6 Ų137.688%0.88380%0.797SS**  trans92.6126.1144.4-62.7174.4139.900121.4
108T43.4Very low43.1Very low134 Ų134137.2 Ų137.282%0.82280%0.8SS**  trans-122.8-171.9-168.4-32.30000108.5
109P46.1Very low43.5Very low101 Ų101139.4 Ų139.466%0.65680%0.799SS**  -119.2172.5-7236-20.3000113.9
110Q42.9Very low43.3Very low178 Ų178133.2 Ų133.283%0.83279%0.79SS**  trans149.6110135.4-87.8-178.8-84.600111.5
111N44Very low43.6Very low142 Ų142129.8 Ų129.876%0.75979%0.787SS**  180138.9112.2-110-1.1000112.9
112D45.4Very low43.6Very low155 Ų155127.2 Ų127.283%0.82979%0.792SS**  trans-16.5145.2167.7-62.8-80.1000122
113G40.9Very low43.9Very low71 Ų71126.3 Ų126.373%0.73279%0.788SS**  trans146.1105.7149.400000114.7
114P46.1Very low44.7Very low121 Ų121124.8 Ų124.879%0.78678%0.78SS**  trans-88.6131.8179.334.1-27.8000110.3
115N42.3Very low45.2Very low158 Ų158124 Ų12485%0.84577%0.774SS**  trans-171.5138.8141.7-112.8-10.7000115.2
116S48.2Very low45.9Very low102 Ų102123.1 Ų123.171%0.71377%0.767SS**  trans58.894.3150.256.10000118.5D118S116-D118 PolarHBondContact O-N 3.21Å
117S43.5Very low46.8Very low126 Ų126122 Ų12288%0.88176%0.755SS**  trans-59.7112.8146.634.50000110.3
118D48.9Very low47.4Very low159 Ų159119.7 Ų119.785%0.8574%0.744SS**  trans-113101164.6-152.3-0.5000107.2S116 G120S116-D118 PolarHBondContact O-N 3.21Å; D118-G120 VanDerWaalsContact C-N 3.3Å; D118-G120 PolarHBondContact O-N 3.07Å; D118-G120 VanDerWaalsContact O-N 3.12Å
119E44.8Very low48.4Very low174 Ų174116.4 Ų116.481%0.81373%0.731SS**  trans-83.776.8-179.5-153.3176.9111.400107.8L121E119-L121 HydrophobicContact CG-CD1 4.17Å; E119-L121 PolarHBondContact O-N 3.24Å; E119-L121 VanDerWaalsContact O-N 3.09Å
120G41.3Very low49.4Very low73 Ų73117 Ų11775%0.75373%0.729SS**  trans-78.877.5175.900000111.8D118 A122D118-G120 VanDerWaalsContact C-N 3.3Å; D118-G120 PolarHBondContact O-N 3.07Å; D118-G120 VanDerWaalsContact O-N 3.12Å; G120-A122 PolarHBondContact O-N 3.43Å
121L48.1Very low50.7Low140 Ų140115.6 Ų115.673%0.73372%0.722SS**  trans-69117.8169.4-112.880.2000110E119 P123E119-L121 HydrophobicContact CG-CD1 4.17Å; E119-L121 PolarHBondContact O-N 3.24Å; E119-L121 VanDerWaalsContact O-N 3.09Å; L121-P123 VanDerWaalsContact O-CD 3.3Å; L121-P123 WeakPolarHBondContact O-CD 3.33Å
122A42.7Very low52.3Low99 Ų99114.8 Ų114.882%0.81872%0.717SS**  trans-70.2126.4177.400000112.9G120G120-A122 PolarHBondContact O-N 3.43Å
123P47.1Very low53.7Low107 Ų107113.6 Ų113.670%0.69570%0.701SS**  trans-127.176.6165.536.1-16.3000109.1L121L121-P123 VanDerWaalsContact O-CD 3.3Å; L121-P123 WeakPolarHBondContact O-CD 3.33Å
124S53.5Low55.6Low90 Ų90116.1 Ų116.163%0.62970%0.698SS**  trans-134.8-4.7-171.3-158.80000117.7
125A53.4Low57.2Low82 Ų82113.2 Ų113.268%0.67868%0.68SS**SBendtrans-114.3-34.1178.600000113.9
126A54.5Low58.9Low77 Ų77108.8 Ų108.864%0.63666%0.655SS**Hα-helixtrans-73.7-31.8-178.600000112.9D130A126-D130 PolarHBondContact O-N 3.09Å
127T61.9Low60.6Low85 Ų85107.8 Ų107.852%0.52164%0.641SS.*Hα-helixtrans-74.3-30.1-17840.90000113.4H131T127-H131 WeakPolarHBondContact O-CB 2.89Å; T127-H131 PolarHBondContact O-N 3.4Å
128E57.5Low62.4Low139 Ų139106 Ų10665%0.6563%0.628SS**Hα-helixtrans-69.6-40.7177.4-76.1-170.1145.600112.1H131 L132E128-H131 PolarHBondContact O-N 2.96Å; E128-L132 WeakPolarHBondContact O-CB 2.98Å; E128-L132 PolarHBondContact O-N 2.89Å
129A63.8Low64Low65 Ų65106 Ų10654%0.53762%0.617SS.*Hα-helixtrans-65.3-41.2177.200000111.9L132 Y133A129-L132 PolarHBondContact O-N 3.04Å; A129-Y133 WeakPolarHBondContact O-CB 3.48Å; A129-Y133 PolarHBondContact O-N 2.87Å
130D67.9Low65.8Low115 Ų115101.7 Ų101.762%0.61560%0.597SS**Hα-helixtrans-64.9-40.8174.7-88.9-19.9000112A126 L132 Y133 L134A126-D130 PolarHBondContact O-N 3.09Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 2.72Å; D130-Y133 PolarHBondContact O-N 3.4Å; D130-L134 WeakPolarHBondContact O-CB 3.46Å; D130-L134 PolarHBondContact O-N 2.74Å
131H70.2Confident67.7Low147 Ų147105 Ų10568%0.68159%0.593SS**Hα-helixtrans-67.5-34.6177.9-148.2-70.6000111.8T127 E128 S135T127-H131 WeakPolarHBondContact O-CB 2.89Å; T127-H131 PolarHBondContact O-N 3.4Å; E128-H131 PolarHBondContact O-N 2.96Å; H131-S135 VanDerWaalsContact O-CB 3.3Å; H131-S135 WeakPolarHBondContact O-CB 3.47Å; H131-S135 PolarHBondContact O-N 2.81Å; H131-S135 PolarHBondContact O-OG 3.36Å
132L75.8Confident69.6Low125 Ų125103.4 Ų103.465%0.65458%0.58SS**Hα-helixtrans-67-45.6173.9-14990.3000110.9E128 A129 D130 S135 M136E128-L132 WeakPolarHBondContact O-CB 2.98Å; E128-L132 PolarHBondContact O-N 2.89Å; A129-L132 PolarHBondContact O-N 3.04Å; D130-L132 VanDerWaalsContact C-N 3.32Å; D130-L132 PolarHBondContact O-N 2.72Å; L132-S135 PolarHBondContact O-N 2.76Å; L132-S135 PolarHBondContact O-OG 3.09Å; L132-M136 WeakPolarHBondContact O-CB 3.41Å; L132-M136 PolarHBondContact O-N 2.88Å
133Y76.2Confident71.7Confident130 Ų130102.7 Ų102.751%0.5156%0.562SS.*Hα-helixtrans-61.8-45177.5-173.5-103.7000112.3A129 D130 S135 M136 L137A129-Y133 WeakPolarHBondContact O-CB 3.48Å; A129-Y133 PolarHBondContact O-N 2.87Å; D130-Y133 PolarHBondContact O-N 3.4Å; Y133-S135 PolarHBondContact O-N 3.21Å; Y133-M136 WeakPolarHBondContact O-CB 3.3Å; Y133-M136 PolarHBondContact O-N 3.12Å; Y133-L137 HydrophobicContact CD1-CD1 3.96Å; Y133-L137 HydrophobicContact CD2-CD1 4.28Å; Y133-L137 HydrophobicContact CE1-CD1 3.54Å; Y133-L137 HydrophobicContact CE1-CD2 4.44Å; Y133-L137 HydrophobicContact CE2-CD1 3.9Å; Y133-L137 HydrophobicContact CG-CD1 4.32Å; Y133-L137 VanDerWaalsContact CZ-CD1 3.5Å; Y133-L137 WeakPolarHBondContact O-CD1 3.5Å; Y133-L137 PolarHBondContact O-N 3.4Å
134L79.7Confident73.6Confident124 Ų124102.7 Ų102.765%0.64955%0.551SS**Hα-helixtrans-66-39.7178.5-147.288000111.9D130 M136 L137 C138D130-L134 WeakPolarHBondContact O-CB 3.46Å; D130-L134 PolarHBondContact O-N 2.74Å; L134-M136 VanDerWaalsContact C-N 3.34Å; L134-L137 PolarHBondContact O-N 2.82Å; L134-C138 PolarHBondContact O-N 2.96Å
135S79.5Confident75Confident61 Ų61103.9 Ų103.943%0.42754%0.543SS..Hα-helixtrans-66.2-36.717674.30000112.2H131 L132 Y133 C138 Y139H131-S135 VanDerWaalsContact O-CB 3.3Å; H131-S135 WeakPolarHBondContact O-CB 3.47Å; H131-S135 PolarHBondContact O-N 2.81Å; H131-S135 PolarHBondContact O-OG 3.36Å; L132-S135 PolarHBondContact O-N 2.76Å; L132-S135 PolarHBondContact O-OG 3.09Å; Y133-S135 PolarHBondContact O-N 3.21Å; S135-C138 WeakPolarHBondContact O-CB 3.4Å; S135-C138 PolarHBondContact O-N 3.39Å; S135-Y139 PolarHBondContact O-N 3.41Å
136M77.6Confident76.6Confident64 Ų64102.6 Ų102.632%0.31553%0.528SS..Hα-helixtrans-64.9-44.7174.1-177.6-174.417000111.5V13 L132 Y133 L134 C138 Y139 Q140V13-M136 WeakPolarHBondContact O-CE 3.15Å; L132-M136 WeakPolarHBondContact O-CB 3.41Å; L132-M136 PolarHBondContact O-N 2.88Å; Y133-M136 WeakPolarHBondContact O-CB 3.3Å; Y133-M136 PolarHBondContact O-N 3.12Å; L134-M136 VanDerWaalsContact C-N 3.34Å; M136-C138 VanDerWaalsContact C-N 3.29Å; M136-C138 PolarHBondContact O-N 3.34Å; M136-Y139 PolarHBondContact O-N 3.03Å; M136-Q140 PolarHBondContact O-N 3.36Å
137L84.6Confident78.2Confident81 Ų81105.5 Ų105.542%0.42452%0.524SS..Hα-helixtrans-59.7-41.4174.6-101.277.1000111.6Y133 L134 Q140 Q141Y133-L137 HydrophobicContact CD1-CD1 3.96Å; Y133-L137 HydrophobicContact CD2-CD1 4.28Å; Y133-L137 HydrophobicContact CE1-CD1 3.54Å; Y133-L137 HydrophobicContact CE1-CD2 4.44Å; Y133-L137 HydrophobicContact CE2-CD1 3.9Å; Y133-L137 HydrophobicContact CG-CD1 4.32Å; Y133-L137 VanDerWaalsContact CZ-CD1 3.5Å; Y133-L137 WeakPolarHBondContact O-CD1 3.5Å; Y133-L137 PolarHBondContact O-N 3.4Å; L134-L137 PolarHBondContact O-N 2.82Å; L137-Q140 PolarHBondContact O-N 3.02Å; L137-Q141 WeakPolarHBondContact O-CB 3.38Å; L137-Q141 PolarHBondContact O-N 3.36Å
138C80.7Confident79.1Confident89 Ų89104.4 Ų104.460%0.60151%0.513SS*.Hα-helixtrans-62.6-43.9176.7-172.80000111.8L134 S135 M136 Q140 Q141 F142L134-C138 PolarHBondContact O-N 2.96Å; S135-C138 WeakPolarHBondContact O-CB 3.4Å; S135-C138 PolarHBondContact O-N 3.39Å; M136-C138 VanDerWaalsContact C-N 3.29Å; M136-C138 PolarHBondContact O-N 3.34Å; C138-Q140 PolarHBondContact O-N 3.39Å; C138-Q141 PolarHBondContact O-N 3.03Å; C138-F142 WeakPolarHBondContact O-CB 3.32Å; C138-F142 PolarHBondContact O-N 2.97Å
139Y83Confident80.3Confident159 Ų159100.2 Ų100.262%0.62450%0.503SS*.Hα-helixtrans-63.9-39.9177.1-171.3-99.5000112.1S135 M136 F142 I143S135-Y139 PolarHBondContact O-N 3.41Å; M136-Y139 PolarHBondContact O-N 3.03Å; Y139-F142 WeakPolarHBondContact O-CB 3.16Å; Y139-F142 PolarHBondContact O-N 3.29Å; Y139-I143 HydrophobicContact CD1-CG1 4.05Å; Y139-I143 HydrophobicContact CE1-CD1 3.92Å; Y139-I143 HydrophobicContact CE1-CG1 3.72Å; Y139-I143 WeakPolarHBondContact O-CG1 3.39Å; Y139-I143 PolarHBondContact O-N 3.18Å
140Q83.8Confident81.2Confident83 Ų83104 Ų10439%0.38851%0.509SS..Hα-helixtrans-68.8-39.8178-169.415028.600112.3M136 L137 C138 F142 I143 F144M136-Q140 PolarHBondContact O-N 3.36Å; L137-Q140 PolarHBondContact O-N 3.02Å; C138-Q140 PolarHBondContact O-N 3.39Å; Q140-F142 VanDerWaalsContact C-N 3.27Å; Q140-F142 PolarHBondContact O-N 3.42Å; Q140-I143 PolarHBondContact O-N 3.49Å; Q140-F144 WeakPolarHBondContact O-CB 3.37Å; Q140-F144 PolarHBondContact O-N 2.81Å
141Q81.3Confident81.8Confident143 Ų143101.9 Ų101.967%0.66850%0.5SS*.Hα-helixtrans-59.5-40.7172.2-162.888.711.900111L137 C138 F144 Y145L137-Q141 WeakPolarHBondContact O-CB 3.38Å; L137-Q141 PolarHBondContact O-N 3.36Å; C138-Q141 PolarHBondContact O-N 3.03Å; Q141-F144 PolarHBondContact O-N 3.39Å; Q141-Y145 WeakPolarHBondContact O-CB 3.49Å; Q141-Y145 PolarHBondContact O-N 2.9Å
142F86.8Confident82.3Confident106 Ų106101.7 Ų101.747%0.46549%0.494SS..Hα-helixtrans-65.7-45.9178.3177.7-100.8000112.6C138 Y139 Q140 F144 Y145 C146C138-F142 WeakPolarHBondContact O-CB 3.32Å; C138-F142 PolarHBondContact O-N 2.97Å; Y139-F142 WeakPolarHBondContact O-CB 3.16Å; Y139-F142 PolarHBondContact O-N 3.29Å; Q140-F142 VanDerWaalsContact C-N 3.27Å; Q140-F142 PolarHBondContact O-N 3.42Å; F142-F144 VanDerWaalsContact C-N 3.32Å; F142-F144 PolarHBondContact O-N 3.01Å; F142-Y145 PolarHBondContact O-N 3.35Å; F142-C146 PolarHBondContact O-N 3.05Å; F142-C146 PolarHBondContact O-SG 2.92Å; F142-C146 VanDerWaalsContact O-SG 3.39Å
143I86.7Confident82.3Confident84 Ų8497.3 Ų97.343%0.43148%0.479SS..Hα-helixtrans-60.9-43.6176-66-83.9000110.4Y139 Q140 Y145 C146 Y147Y139-I143 HydrophobicContact CD1-CG1 4.05Å; Y139-I143 HydrophobicContact CE1-CD1 3.92Å; Y139-I143 HydrophobicContact CE1-CG1 3.72Å; Y139-I143 WeakPolarHBondContact O-CG1 3.39Å; Y139-I143 PolarHBondContact O-N 3.18Å; Q140-I143 PolarHBondContact O-N 3.49Å; I143-Y145 PolarHBondContact O-N 2.81Å; I143-C146 PolarHBondContact O-N 2.88Å; I143-Y147 WeakPolarHBondContact O-CB 3.48Å; I143-Y147 PolarHBondContact O-N 2.65Å
144F86.6Confident82.2Confident107 Ų10794 Ų9447%0.46948%0.479SS..Hα-helixtrans-61.8-43.5177.9-179.6-102.7000112Q140 Q141 F142 Y147 M148Q140-F144 WeakPolarHBondContact O-CB 3.37Å; Q140-F144 PolarHBondContact O-N 2.81Å; Q141-F144 PolarHBondContact O-N 3.39Å; F142-F144 VanDerWaalsContact C-N 3.32Å; F142-F144 PolarHBondContact O-N 3.01Å; F144-Y147 PolarHBondContact O-N 3.35Å; F144-M148 HydrophobicContact CD1-CG 4.21Å; F144-M148 HydrophobicContact CD2-CG 4.44Å; F144-M148 HydrophobicContact CE1-CE 4.43Å; F144-M148 HydrophobicContact CE1-CG 3.78Å; F144-M148 HydrophobicContact CE2-CG 4.03Å; F144-M148 HydrophobicContact CE2-SD 4.32Å; F144-M148 HydrophobicContact CZ-CE 3.91Å; F144-M148 HydrophobicContact CZ-CG 3.69Å; F144-M148 HydrophobicContact CZ-SD 4.05Å; F144-M148 WeakPolarHBondContact O-CG 3.48Å; F144-M148 PolarHBondContact O-N 3.01Å
145Y83.4Confident82.1Confident116 Ų11691.2 Ų91.246%0.45547%0.47SS..Hα-helixtrans-60.9-45.4175.5-179.8-93.6000111.8Q141 F142 I143 Y147 M148 A149 V370Q141-Y145 WeakPolarHBondContact O-CB 3.49Å; Q141-Y145 PolarHBondContact O-N 2.9Å; F142-Y145 PolarHBondContact O-N 3.35Å; I143-Y145 PolarHBondContact O-N 2.81Å; Y145-Y147 VanDerWaalsContact C-N 3.34Å; Y145-Y147 PolarHBondContact O-N 3.47Å; Y145-M148 PolarHBondContact O-N 2.95Å; Y145-A149 WeakPolarHBondContact O-CB 3.49Å; Y145-A149 PolarHBondContact O-N 3.25Å; Y145-V370 HydrophobicContact CE2-CG1 4.37Å; Y145-V370 WeakPolarHBondContact OH-CG1 3.27Å; Y145-V370 WeakPolarHBondContact OH-CG2 3.14Å
146C87.9Confident81.5Confident55 Ų5595.8 Ų95.837%0.37248%0.478SS..Hα-helixtrans-61.4-41.2176.2-72.60000112.3F142 I143 A149 Q150F142-C146 PolarHBondContact O-N 3.05Å; F142-C146 PolarHBondContact O-SG 2.92Å; F142-C146 VanDerWaalsContact O-SG 3.39Å; I143-C146 PolarHBondContact O-N 2.88Å; C146-A149 PolarHBondContact O-N 2.7Å; C146-Q150 PolarHBondContact O-N 3.37Å; C146-Q150 VanDerWaalsContact O-N 3.11Å
147Y86.6Confident81.2Confident138 Ų13897.6 Ų97.654%0.54149%0.492SS..Hα-helixtrans-64.3-47.1176.5177.5-100.6000111.9I143 F144 Y145 A149 Q150 V151I143-Y147 WeakPolarHBondContact O-CB 3.48Å; I143-Y147 PolarHBondContact O-N 2.65Å; F144-Y147 PolarHBondContact O-N 3.35Å; Y145-Y147 VanDerWaalsContact C-N 3.34Å; Y145-Y147 PolarHBondContact O-N 3.47Å; Y147-A149 PolarHBondContact O-N 3.06Å; Y147-Q150 WeakPolarHBondContact O-CB 3.47Å; Y147-Q150 PolarHBondContact O-N 3.28Å; Y147-Q150 VanDerWaalsContact O-N 3.14Å; Y147-V151 HydrophobicContact CD1-CG2 4.39Å; Y147-V151 HydrophobicContact CE1-CG2 3.93Å; Y147-V151 HydrophobicContact CE2-CG2 4.25Å; Y147-V151 PolarHBondContact O-N 3.46Å
148M81Confident80.3Confident62 Ų6299.9 Ų99.931%0.30550%0.501SS..Hα-helixtrans-61.9-43.9177.5-71.2-65.6-10300111F144 Y145 Q150 V151 Y152F144-M148 HydrophobicContact CD1-CG 4.21Å; F144-M148 HydrophobicContact CD2-CG 4.44Å; F144-M148 HydrophobicContact CE1-CE 4.43Å; F144-M148 HydrophobicContact CE1-CG 3.78Å; F144-M148 HydrophobicContact CE2-CG 4.03Å; F144-M148 HydrophobicContact CE2-SD 4.32Å; F144-M148 HydrophobicContact CZ-CE 3.91Å; F144-M148 HydrophobicContact CZ-CG 3.69Å; F144-M148 HydrophobicContact CZ-SD 4.05Å; F144-M148 WeakPolarHBondContact O-CG 3.48Å; F144-M148 PolarHBondContact O-N 3.01Å; Y145-M148 PolarHBondContact O-N 2.95Å; M148-Q150 PolarHBondContact O-N 2.88Å; M148-V151 PolarHBondContact O-N 2.92Å; M148-Y152 HydrophobicContact CB-CD2 4.3Å; M148-Y152 HydrophobicContact CB-CE2 4.39Å; M148-Y152 HydrophobicContact CE-CE2 4.04Å; M148-Y152 WeakPolarHBondContact O-CB 3.48Å; M148-Y152 WeakPolarHBondContact O-CD2 3.47Å; M148-Y152 PolarHBondContact O-N 3.03Å; M148-Y152 HydrophobicContact SD-CE2 4.4Å
149A83.4Confident79.6Confident51 Ų51101.9 Ų101.942%0.42150%0.501SS..Hα-helixtrans-58.5-35.3175.800000112.6Y145 C146 Y147 G153Y145-A149 WeakPolarHBondContact O-CB 3.49Å; Y145-A149 PolarHBondContact O-N 3.25Å; C146-A149 PolarHBondContact O-N 2.7Å; Y147-A149 PolarHBondContact O-N 3.06Å; A149-G153 WeakPolarHBondContact O-CA 3.47Å; A149-G153 PolarHBondContact O-N 3.27Å
150Q83.6Confident78.8Confident145 Ų145101.9 Ų101.968%0.67850%0.501SS*.Hα-helixtrans-70.9-42.7175.8-173.5176-5.400112.5C146 Y147 M148 G153 A154C146-Q150 PolarHBondContact O-N 3.37Å; C146-Q150 VanDerWaalsContact O-N 3.11Å; Y147-Q150 WeakPolarHBondContact O-CB 3.47Å; Y147-Q150 PolarHBondContact O-N 3.28Å; Y147-Q150 VanDerWaalsContact O-N 3.14Å; M148-Q150 PolarHBondContact O-N 2.88Å; Q150-G153 PolarHBondContact O-N 2.91Å; Q150-A154 WeakPolarHBondContact O-CB 3.3Å; Q150-A154 PolarHBondContact O-N 3.14Å
151V80.2Confident78Confident70 Ų70100.6 Ų100.642%0.42450%0.501SS..Hα-helixtrans-66.2-46.6177.9175.70000110.9Y147 M148 A154 S155Y147-V151 HydrophobicContact CD1-CG2 4.39Å; Y147-V151 HydrophobicContact CE1-CG2 3.93Å; Y147-V151 HydrophobicContact CE2-CG2 4.25Å; Y147-V151 PolarHBondContact O-N 3.46Å; M148-V151 PolarHBondContact O-N 2.92Å; V151-A154 PolarHBondContact O-N 3.38Å; V151-S155 PolarHBondContact O-N 3.19Å
152Y79.5Confident77.3Confident143 Ų14396.3 Ų96.356%0.56149%0.487SS*.Hα-helixtrans-62.5-44.9174.6-77.8-70.6000110.8M148 A154 S155 W156M148-Y152 HydrophobicContact CB-CD2 4.3Å; M148-Y152 HydrophobicContact CB-CE2 4.39Å; M148-Y152 HydrophobicContact CE-CE2 4.04Å; M148-Y152 WeakPolarHBondContact O-CB 3.48Å; M148-Y152 WeakPolarHBondContact O-CD2 3.47Å; M148-Y152 PolarHBondContact O-N 3.03Å; M148-Y152 HydrophobicContact SD-CE2 4.4Å; Y152-A154 PolarHBondContact O-N 3.46Å; Y152-S155 PolarHBondContact O-N 3.49Å; Y152-S155 PolarHBondContact O-OG 3.29Å; Y152-W156 PolarHBondContact O-N 2.99Å; Y152-W156 VanDerWaalsContact O-N 3.12Å
153G76.4Confident76.1Confident33 Ų3393.8 Ų93.834%0.3449%0.485SS..Hα-helixtrans-59.2-41.6176.500000113.5A149 Q150 W156 V157A149-G153 WeakPolarHBondContact O-CA 3.47Å; A149-G153 PolarHBondContact O-N 3.27Å; Q150-G153 PolarHBondContact O-N 2.91Å; G153-W156 PolarHBondContact O-N 3.49Å; G153-V157 WeakPolarHBondContact O-CG2 3.33Å; G153-V157 PolarHBondContact O-N 3.31Å
154A75Confident74.8Confident61 Ų6194.1 Ų94.150%0.50449%0.491SS..Hα-helixtrans-66.1-38.2176.900000112.3Q150 V151 Y152 V157 H158Q150-A154 WeakPolarHBondContact O-CB 3.3Å; Q150-A154 PolarHBondContact O-N 3.14Å; V151-A154 PolarHBondContact O-N 3.38Å; Y152-A154 PolarHBondContact O-N 3.46Å; A154-V157 PolarHBondContact O-N 3.3Å; A154-H158 PolarHBondContact O-N 3Å; A154-H158 VanDerWaalsContact O-N 3.08Å
155S75.6Confident73.5Confident64 Ų6494.7 Ų94.745%0.44850%0.499SS..Hα-helixtrans-64.9-39.8176.973.10000112.7V151 Y152 V157 H158 H159V151-S155 PolarHBondContact O-N 3.19Å; Y152-S155 PolarHBondContact O-N 3.49Å; Y152-S155 PolarHBondContact O-OG 3.29Å; S155-V157 PolarHBondContact O-N 3.46Å; S155-H158 PolarHBondContact O-N 2.98Å; S155-H159 PolarHBondContact O-N 3.46Å; S155-H159 VanDerWaalsContact O-N 3.13Å
156W68.4Low72Confident157 Ų15796.9 Ų96.960%0.59552%0.516SS*.Hα-helixtrans-63.3-40.2175.5-81.2106.3000112.2Y152 G153 Y160Y152-W156 PolarHBondContact O-N 2.99Å; Y152-W156 VanDerWaalsContact O-N 3.12Å; G153-W156 PolarHBondContact O-N 3.49Å; W156-Y160 HydrophobicContact CE3-CE2 4.39Å; W156-Y160 PolarHBondContact O-N 2.95Å; W156-Y160 VanDerWaalsContact O-N 3.14Å
157V71.3Confident70.2Confident103 Ų10398.8 Ų98.862%0.62453%0.53SS*.Hα-helixtrans-66.6-39.1177.1174.20000111.3G153 A154 S155 S161G153-V157 WeakPolarHBondContact O-CG2 3.33Å; G153-V157 PolarHBondContact O-N 3.31Å; A154-V157 PolarHBondContact O-N 3.3Å; S155-V157 PolarHBondContact O-N 3.46Å; V157-S161 WeakPolarHBondContact O-CB 3.49Å; V157-S161 PolarHBondContact O-N 3.24Å; V157-S161 PolarHBondContact O-OG 2.97Å
158H65.8Low68.5Low129 Ų12997.4 Ų97.460%0.59754%0.536SS*.Hα-helixtrans-62.6-47.9177.3-169.2-93.4000111.3A154 S155 Y160 S161 S162A154-H158 PolarHBondContact O-N 3Å; A154-H158 VanDerWaalsContact O-N 3.08Å; S155-H158 PolarHBondContact O-N 2.98Å; H158-Y160 PolarHBondContact O-N 2.91Å; H158-S161 PolarHBondContact O-N 3.39Å; H158-S161 PolarHBondContact O-OG 2.99Å; H158-S162 PolarHBondContact O-N 3.5Å; H158-S162 PolarHBondContact O-OG 3.5Å
159H65.3Low67.1Low130 Ų130101.8 Ų101.860%0.60256%0.559SS**Hα-helixtrans-63.5-41-179.5-162.6-105000112.9S155 S162 A163S155-H159 PolarHBondContact O-N 3.46Å; S155-H159 VanDerWaalsContact O-N 3.13Å; H159-S162 PolarHBondContact O-N 3.28Å; H159-A163 WeakPolarHBondContact O-CB 3.18Å; H159-A163 PolarHBondContact O-N 3.48Å
160Y65.5Low65.3Low160 Ų160105 Ų10563%0.62758%0.579SS**Hα-helixtrans-65-38.7174.7-99.3-86.6000112.6W156 H158 T164W156-Y160 HydrophobicContact CE3-CE2 4.39Å; W156-Y160 PolarHBondContact O-N 2.95Å; W156-Y160 VanDerWaalsContact O-N 3.14Å; H158-Y160 PolarHBondContact O-N 2.91Å; Y160-T164 WeakPolarHBondContact O-CB 3.42Å; Y160-T164 PolarHBondContact O-N 3.04Å; Y160-T164 VanDerWaalsContact O-N 3.15Å; Y160-T164 PolarHBondContact O-OG1 2.96Å
161S67.7Low63.5Low55 Ų55102.9 Ų102.939%0.38558%0.58SS.*Hα-helixtrans-67.6-36.7178.174.60000112.5V157 H158 N165V157-S161 WeakPolarHBondContact O-CB 3.49Å; V157-S161 PolarHBondContact O-N 3.24Å; V157-S161 PolarHBondContact O-OG 2.97Å; H158-S161 PolarHBondContact O-N 3.39Å; H158-S161 PolarHBondContact O-OG 2.99Å; S161-N165 PolarHBondContact O-N 3.15Å; S161-N165 PolarHBondContact O-ND2 3.43Å
162S66.6Low61.7Low54 Ų54105.2 Ų105.238%0.37860%0.6SS.*Hα-helixtrans-71.7-40.7177.2-57.20000112.7H158 H159 T164 N165 M166H158-S162 PolarHBondContact O-N 3.5Å; H158-S162 PolarHBondContact O-OG 3.5Å; H159-S162 PolarHBondContact O-N 3.28Å; S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact O-N 3.41Å; S162-N165 PolarHBondContact O-N 3.44Å; S162-M166 PolarHBondContact O-N 3.39Å
163A61.2Low59.8Low52 Ų52107.8 Ų107.843%0.4362%0.617SS.*Hα-helixtrans-66.1-34.8177.100000112.8H159 N165 M166 S167H159-A163 WeakPolarHBondContact O-CB 3.18Å; H159-A163 PolarHBondContact O-N 3.48Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 3.05Å; A163-M166 PolarHBondContact O-N 3.42Å; A163-S167 PolarHBondContact O-OG 3.2Å
164T60.5Low58Low92 Ų92110.7 Ų110.756%0.56464%0.637SS**Hα-helixtrans-71-29179.3-47.20000112.2Y160 S162Y160-T164 WeakPolarHBondContact O-CB 3.42Å; Y160-T164 PolarHBondContact O-N 3.04Å; Y160-T164 VanDerWaalsContact O-N 3.15Å; Y160-T164 PolarHBondContact O-OG1 2.96Å; S162-T164 VanDerWaalsContact C-N 3.33Å; S162-T164 PolarHBondContact O-N 3.41Å
165N58Low56.1Low119 Ų119117.8 Ų117.864%0.63666%0.66SS**Hα-helixtrans-80.3-20.2178.5-74.4-19.8000114.1S161 S162 A163S161-N165 PolarHBondContact O-N 3.15Å; S161-N165 PolarHBondContact O-ND2 3.43Å; S162-N165 PolarHBondContact O-N 3.44Å; A163-N165 VanDerWaalsContact C-N 3.33Å; A163-N165 PolarHBondContact O-N 3.05Å
166M51.6Low54.3Low161 Ų161117.7 Ų117.779%0.79367%0.67SS**Hα-helixtrans-82.7-18.3179.5-117-173.9-135.700114S162 A163 T168S162-M166 PolarHBondContact O-N 3.39Å; A163-M166 PolarHBondContact O-N 3.42Å; M166-T168 VanDerWaalsContact C-N 3.35Å; M166-T168 PolarHBondContact O-N 3.15Å
167S51.5Low52.8Low96 Ų96118.9 Ų118.967%0.67168%0.682SS**THydrogen-bonded Turntrans-84.8-3.1-171.5-60.60000114.4A163A163-S167 PolarHBondContact O-OG 3.2Å
168T50Low51.2Low109 Ų109119.7 Ų119.767%0.66969%0.692SS**THydrogen-bonded Turntrans-104.95.3-17643.80000115.5M166M166-T168 VanDerWaalsContact C-N 3.35Å; M166-T168 PolarHBondContact O-N 3.15Å
169L52.2Low49.9Very low153 Ų153118.7 Ų118.780%0.80171%0.706SS**SBendtrans-117.52.8-177.7-87.5117000116.3
170S46.4Very low48.7Very low120 Ų120120 Ų12084%0.83972%0.717SS**SBendtrans-111.613.6-175.3-75.60000116.3
171S44.3Very low47.4Very low99 Ų99117.6 Ų117.669%0.69272%0.721SS**SBendtrans-130.754.1-176.660.40000112.7
172S42Very low46.1Very low120 Ų120121.6 Ų121.684%0.83974%0.738SS**  trans-164.951.8171.6-66.20000112.6
173Q39.4Very low44.8Very low196 Ų196127.9 Ų127.992%0.91676%0.762SS**  trans-150.3115.5166.7-144.6166.7-6.800113.4
174A40.4Very low43.6Very low94 Ų94129 Ų12978%0.77778%0.779SS**  trans76.678.8151.900000119.5
175E33.4Very low42.5Very low211 Ų211132.6 Ų132.699%0.98679%0.794SS**  trans-66.7118.8134.1-97.2170.58400108.3
176G38Very low41.7Very low62 Ų62134.9 Ų134.964%0.63981%0.806SS**  trans172.882.6179.800000114.6
177Q36.9Very low41Very low182 Ų182132 Ų13285%0.8581%0.808SS**  trans66.1102.9145.8-79148.6-44.300121
178S38.7Very low40.3Very low120 Ų120131 Ų13184%0.83981%0.812SS**  56.7108119.8-49.10000120
179A37.6Very low39.8Very low107 Ų107134.2 Ų134.288%0.88483%0.826SS**  trans-81.7138.2164.300000112.3
180D39.8Very low39.1Very low159 Ų159130.1 Ų130.185%0.8582%0.82SS**  trans-148.5136.2143.9-164.851.1000109.4
181P39.6Very low39Very low108 Ų108133.6 Ų133.670%0.70182%0.823SS**  trans-107.8135.4-163.536.2-24.1000112.8
182N40.1Very low39.1Very low140 Ų140135 Ų13575%0.74983%0.83SS**  trans-158.8123.9153.5-140.2-3.5000115.1
183Q39.1Very low39.2Very low186 Ų186133.7 Ų133.787%0.86983%0.827SS**  trans35.6130.1142.7-75.8174.327.300121.8
184G36.5Very low39.5Very low76 Ų76128.8 Ų128.878%0.78482%0.82SS**  trans165.679.4149.800000113.3
185N36.3Very low39.4Very low166 Ų166132.5 Ų132.589%0.88882%0.821SS**  trans-51.3134.4164.6-92.1-10.1000110.7
186D40.8Very low39.9Very low168 Ų168127.5 Ų127.590%0.89881%0.807SS**  trans-155.2138.7131.7-122.9-50.7000111.8
187A37.6Very low40.3Very low100 Ų100129 Ų12983%0.82680%0.803SS**  trans-86.9142.3-160.900000112.6
188G37.3Very low40.7Very low74 Ų74126.9 Ų126.976%0.76380%0.797SS**  trans-178.997.6170.900000115
189N39.2Very low40.8Very low177 Ų177127.3 Ų127.395%0.94779%0.789SS**  trans90.6109.6144.5-126.2-2.3000119.6
190G37.7Very low41Very low67 Ų67126.3 Ų126.369%0.69178%0.781SS**  trans93.782.3138.200000118.6
191Q43.4Very low40.7Very low193 Ų193126.7 Ų126.790%0.90278%0.778SS**  trans-144101.3162.7-140.1167-59.600111.8A193Q191-A193 PolarHBondContact O-N 3.33Å
192P47.4Very low40.7Very low128 Ų128124.5 Ų124.583%0.83178%0.775SS**  trans-78110157.1-3.521.8000108.7
193A43.1Very low40.5Very low93 Ų93124.4 Ų124.477%0.76977%0.77SS**SBendtrans13.1128.2144.900000119.8Q191Q191-A193 PolarHBondContact O-N 3.33Å
194A46.5Very low40.7Very low94 Ų94122 Ų12278%0.77776%0.764SS**  trans70.580.114400000117.6P196A194-P196 WeakPolarHBondContact O-CD 3.41Å
195Q38.9Very low41Very low172 Ų172125.8 Ų125.880%0.80476%0.761SS**  trans-75.2119.8151.1-63-176.220.600108.8V197Q195-V197 VanDerWaalsContact C-N 3.31Å; Q195-V197 HydrophobicContact CB-CG2 4.25Å; Q195-V197 PolarHBondContact O-N 3.11Å
196P43.1Very low41.4Very low105 Ų105125.1 Ų125.168%0.68275%0.752SS**  trans-7892.8152.531.1-25.8000106.2A194 I198A194-P196 WeakPolarHBondContact O-CD 3.41Å; P196-I198 HydrophobicContact CB-CG1 4.44Å; P196-I198 PolarHBondContact O-N 3.48Å
197V46.3Very low41.5Very low93 Ų93122 Ų12256%0.56474%0.736SS**  trans-64.895.6160.1-176.70000105Q195 N199Q195-V197 VanDerWaalsContact C-N 3.31Å; Q195-V197 HydrophobicContact CB-CG2 4.25Å; Q195-V197 PolarHBondContact O-N 3.11Å; V197-N199 WeakPolarHBondContact CG1-OD1 3.26Å; V197-N199 PolarHBondContact O-N 3.35Å
198I45.6Very low42.1Very low139 Ų139126.2 Ų126.271%0.71374%0.738SS**  trans-70.973.8169.1-65.2167000105.9P196 A200P196-I198 HydrophobicContact CB-CG1 4.44Å; P196-I198 PolarHBondContact O-N 3.48Å; I198-A200 HydrophobicContact CG2-CB 3.78Å; I198-A200 PolarHBondContact O-N 3.44Å
199N41.4Very low42.8Very low128 Ų128128.8 Ų128.868%0.68473%0.731SS**  trans-71.678.5150.4-74.1-18.3000105.2V197 Q201V197-N199 WeakPolarHBondContact CG1-OD1 3.26Å; V197-N199 PolarHBondContact O-N 3.35Å; N199-Q201 PolarHBondContact O-N 3.22Å
200A40.5Very low43.6Very low87 Ų87125.4 Ų125.472%0.71972%0.718SS**  trans-7232.3165.700000111.2I198 G202I198-A200 HydrophobicContact CG2-CB 3.78Å; I198-A200 PolarHBondContact O-N 3.44Å; A200-G202 PolarHBondContact O-N 3.12Å
201Q34.7Very low44.6Very low166 Ų166133.1 Ų133.178%0.77673%0.726SS**  trans-70.174.1153.4-174.3170.4-28.300105.6N199 Q203N199-Q201 PolarHBondContact O-N 3.22Å; Q201-Q203 PolarHBondContact O-N 3.13Å
202G40Very low45.9Very low63 Ų63126.9 Ų126.965%0.64970%0.699SS**  trans-61.291.9168.600000107.3A200 N204A200-G202 PolarHBondContact O-N 3.12Å; G202-N204 PolarHBondContact O-N 2.78Å
203Q36.3Very low47.4Very low137 Ų137129.6 Ų129.664%0.6469%0.693SS**  trans-40.593.1148.8-71.2174.5-5500107.9Q201 E205Q201-Q203 PolarHBondContact O-N 3.13Å; Q203-E205 HydrophobicContact CB-CG 4.14Å; Q203-E205 VanDerWaalsContact CD-OE2 3.3Å; Q203-E205 HydrophobicContact CG-CG 4.08Å; Q203-E205 VanDerWaalsContact CG-OE2 3.32Å; Q203-E205 WeakPolarHBondContact CG-OE2 3.42Å; Q203-E205 PolarHBondContact NE2-OE2 3.31Å
204N41.5Very low48.8Very low137 Ų137130 Ų13073%0.73368%0.682SS**  trans-106.876.4135.8-78-76.8000104.5G202 E206G202-N204 PolarHBondContact O-N 2.78Å; N204-E206 PolarHBondContact O-N 3.19Å
205E43.9Very low49.9Very low155 Ų155128.9 Ų128.972%0.72466%0.663SS**  trans-72.833.5167.6-67.3176.8120.600110.8Q203Q203-E205 HydrophobicContact CB-CG 4.14Å; Q203-E205 VanDerWaalsContact CD-OE2 3.3Å; Q203-E205 HydrophobicContact CG-CG 4.08Å; Q203-E205 VanDerWaalsContact CG-OE2 3.32Å; Q203-E205 WeakPolarHBondContact CG-OE2 3.42Å; Q203-E205 PolarHBondContact NE2-OE2 3.31Å
206E43.7Very low51.6Low152 Ų152128.1 Ų128.171%0.7166%0.657SS**  trans-139.990.5-176.5-64.3-177.711600106.4N204N204-E206 PolarHBondContact O-N 3.19Å
207D43.9Very low53.4Low103 Ų103127.3 Ų127.355%0.55165%0.646SS**  trans1578.3149.6-81.3-9.2000115.6Q209 R376D207-Q209 PolarHBondContact O-N 3.44Å; D207-R376 VanDerWaalsContact CG-NH2 3.28Å; D207-R376 IonicContact OD1-NH2 2.81Å; D207-R376 IonicContact OD2-CZ 3.18Å; D207-R376 IonicContact OD2-NH1 2.65Å; D207-R376 PolarHBondContact OD2-NH1 3.08Å; D207-R376 IonicContact OD2-NH2 3.74Å; D207-R376 PolarHBondContact OD2-NH2 2.99Å
208E49.4Very low54.8Low187 Ų187128.1 Ų128.187%0.87464%0.64SS**  trans-74.763.8157.4-73.8-177.1108.300109.2P210E208-P210 WeakPolarHBondContact O-CD 3.28Å
209Q52.1Low56.1Low129 Ų129124.9 Ų124.960%0.60362%0.623SS**  trans-57.1111.6171.5-16893.935.100106.5D207 R211 D212D207-Q209 PolarHBondContact O-N 3.44Å; Q209-R211 PolarHBondContact O-N 3.33Å; Q209-D212 WeakPolarHBondContact CG-OD2 3.48Å; Q209-D212 PolarHBondContact NE2-OD1 3.43Å
210P56.7Low57.7Low106 Ų106120.6 Ų120.669%0.68861%0.606SS**  trans-58.7120.417924.1-31.5000106.4E208 D212E208-P210 WeakPolarHBondContact O-CD 3.28Å; P210-D212 WeakPolarHBondContact O-CA 3.21Å; P210-D212 PolarHBondContact O-N 3.1Å
211R58.7Low59.7Low228 Ų228119 Ų11986%0.8659%0.59SS**  trans-23102.3-179.5-103.2169.9-178.6152.92.8110.6Q209 W213Q209-R211 PolarHBondContact O-N 3.33Å; R211-W213 PolarHBondContact O-N 2.84Å
212D71.1Confident61.4Low62 Ų62114.9 Ų114.933%0.33257%0.567SS.*  trans-59.9139.6-171.7-76-47.9000107.4Q209 P210 L214 D215 F216Q209-D212 WeakPolarHBondContact CG-OD2 3.48Å; Q209-D212 PolarHBondContact NE2-OD1 3.43Å; P210-D212 WeakPolarHBondContact O-CA 3.21Å; P210-D212 PolarHBondContact O-N 3.1Å; D212-L214 HydrophobicContact CB-CB 4.23Å; D212-L214 CarbonylContact O-C 3.54Å; D212-L214 PolarHBondContact O-N 3.21Å; D212-D215 WeakPolarHBondContact O-CA 3.29Å; D212-D215 WeakPolarHBondContact O-CB 3.42Å; D212-D215 PolarHBondContact O-N 3.11Å; D212-F216 PolarHBondContact O-N 3.22Å; D212-F216 VanDerWaalsContact O-N 3.07Å
213W78.9Confident63.1Low185 Ų185113.9 Ų113.970%0.70155%0.548SS*.Hα-helixtrans-50.8-24.5171.768.5-78.8000111.5R211 F216 L217R211-W213 PolarHBondContact O-N 2.84Å; W213-F216 PolarHBondContact O-N 2.86Å; W213-L217 HydrophobicContact CE3-CD1 4.19Å; W213-L217 HydrophobicContact CZ3-CD1 3.71Å; W213-L217 VanDerWaalsContact O-CB 3.27Å; W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.43Å
214L72.6Confident64.9Low102 Ų102111.9 Ų111.953%0.53455%0.546SS..Hα-helixtrans-67.7-41.3171.8-159.791.5000112.8D212 F216 L217 Y218D212-L214 HydrophobicContact CB-CB 4.23Å; D212-L214 CarbonylContact O-C 3.54Å; D212-L214 PolarHBondContact O-N 3.21Å; L214-F216 VanDerWaalsContact C-N 3.32Å; L214-L217 PolarHBondContact O-N 3.4Å; L214-Y218 VanDerWaalsContact O-CB 3.22Å; L214-Y218 WeakPolarHBondContact O-CB 3.42Å; L214-Y218 PolarHBondContact O-N 2.86Å
215D69.1Low66.5Low71 Ų71110.9 Ų110.938%0.3854%0.54SS..Hα-helixtrans-64-41.2171.5-86.2-21.2000110.4D212 Y218 I219D212-D215 WeakPolarHBondContact O-CA 3.29Å; D212-D215 WeakPolarHBondContact O-CB 3.42Å; D212-D215 PolarHBondContact O-N 3.11Å; D215-Y218 PolarHBondContact O-N 3Å; D215-I219 WeakPolarHBondContact O-CB 3.41Å; D215-I219 WeakPolarHBondContact O-CD1 3.28Å; D215-I219 WeakPolarHBondContact O-CG1 3.19Å; D215-I219 PolarHBondContact O-N 3.46Å
216F75.1Confident67.9Low155 Ų155106.8 Ų106.868%0.6852%0.522SS*.Hα-helixtrans-61.2-46173179.8-96.3000111.5D212 W213 L214 I219 A220D212-F216 PolarHBondContact O-N 3.22Å; D212-F216 VanDerWaalsContact O-N 3.07Å; W213-F216 PolarHBondContact O-N 2.86Å; L214-F216 VanDerWaalsContact C-N 3.32Å; F216-I219 PolarHBondContact O-N 3.35Å; F216-A220 WeakPolarHBondContact O-CB 3.22Å; F216-A220 PolarHBondContact O-N 2.85Å
217L79.3Confident69.1Low88 Ų88102.8 Ų102.846%0.46150%0.503SS..Hα-helixtrans-64.6-40.3177.9-170.7158.1000111.1W213 L214 A220 S221W213-L217 HydrophobicContact CE3-CD1 4.19Å; W213-L217 HydrophobicContact CZ3-CD1 3.71Å; W213-L217 VanDerWaalsContact O-CB 3.27Å; W213-L217 WeakPolarHBondContact O-CB 3.32Å; W213-L217 PolarHBondContact O-N 3.43Å; L214-L217 PolarHBondContact O-N 3.4Å; L217-A220 PolarHBondContact O-N 3.36Å; L217-S221 WeakPolarHBondContact O-CB 3.42Å; L217-S221 PolarHBondContact O-N 3.48Å; L217-S221 PolarHBondContact O-OG 3.45Å
218Y76.4Confident70.4Confident111 Ų111101 Ų10144%0.43550%0.498SS..Hα-helixtrans-64.6-48.1177.6175.5-110.4000111.1L214 D215 A220 S221 R222L214-Y218 VanDerWaalsContact O-CB 3.22Å; L214-Y218 WeakPolarHBondContact O-CB 3.42Å; L214-Y218 PolarHBondContact O-N 2.86Å; D215-Y218 PolarHBondContact O-N 3Å; Y218-A220 VanDerWaalsContact C-N 3.33Å; Y218-A220 PolarHBondContact O-N 2.78Å; Y218-S221 PolarHBondContact O-N 3.31Å; Y218-S221 PolarHBondContact O-OG 2.74Å; Y218-R222 WeakPolarHBondContact O-CB 3.07Å; Y218-R222 PolarHBondContact O-N 2.93Å; Y218-R222 PolarHBondContact OH-NH1 2.8Å; Y218-R222 VanDerWaalsContact OH-NH1 3.11Å
219I73.6Confident71.5Confident70 Ų7095.8 Ų95.836%0.35948%0.479SS..Hα-helixtrans-59.2-45.8174-66.8161.4000110.3D215 F216 T223D215-I219 WeakPolarHBondContact O-CB 3.41Å; D215-I219 WeakPolarHBondContact O-CD1 3.28Å; D215-I219 WeakPolarHBondContact O-CG1 3.19Å; D215-I219 PolarHBondContact O-N 3.46Å; F216-I219 PolarHBondContact O-N 3.35Å; I219-T223 WeakPolarHBondContact O-CB 3.44Å; I219-T223 PolarHBondContact O-N 3.44Å; I219-T223 PolarHBondContact O-OG1 3.07Å
220A74.9Confident72.4Confident38 Ų3892.9 Ų92.931%0.31447%0.467SS..Hα-helixtrans-62.9-46.1178.300000111.7F216 L217 Y218 R222 T223 V224F216-A220 WeakPolarHBondContact O-CB 3.22Å; F216-A220 PolarHBondContact O-N 2.85Å; L217-A220 PolarHBondContact O-N 3.36Å; Y218-A220 VanDerWaalsContact C-N 3.33Å; Y218-A220 PolarHBondContact O-N 2.78Å; A220-R222 PolarHBondContact O-N 2.82Å; A220-T223 WeakPolarHBondContact O-CB 3.33Å; A220-T223 PolarHBondContact O-N 2.99Å; A220-V224 WeakPolarHBondContact O-CB 3.27Å; A220-V224 VanDerWaalsContact O-CG2 3.24Å; A220-V224 WeakPolarHBondContact O-CG2 3.37Å; A220-V224 PolarHBondContact O-N 3.48Å
221S81.7Confident73Confident55 Ų5593 Ų9339%0.38546%0.455SS..Hα-helixtrans-63-44-178.971.90000111.8L217 Y218 T223 V224 L225L217-S221 WeakPolarHBondContact O-CB 3.42Å; L217-S221 PolarHBondContact O-N 3.48Å; L217-S221 PolarHBondContact O-OG 3.45Å; Y218-S221 PolarHBondContact O-N 3.31Å; Y218-S221 PolarHBondContact O-OG 2.74Å; S221-T223 VanDerWaalsContact C-N 3.35Å; S221-V224 PolarHBondContact O-N 3.42Å; S221-L225 WeakPolarHBondContact O-CB 3.42Å; S221-L225 PolarHBondContact O-N 3.46Å
222R70.6Confident73.5Confident78 Ų7888.6 Ų88.629%0.29445%0.445SS..Hα-helixtrans-69.2-36.1178.5-172.5164.9172.2162.3-4.4111.6Y218 A220 L225 L226 F368Y218-R222 WeakPolarHBondContact O-CB 3.07Å; Y218-R222 PolarHBondContact O-N 2.93Å; Y218-R222 PolarHBondContact OH-NH1 2.8Å; Y218-R222 VanDerWaalsContact OH-NH1 3.11Å; A220-R222 PolarHBondContact O-N 2.82Å; R222-L225 PolarHBondContact O-N 3.01Å; R222-L226 WeakPolarHBondContact O-CB 3.45Å; R222-L226 PolarHBondContact O-N 3.32Å; R222-F368 HydrophobicContact CG-CZ 4.14Å
223T75.8Confident73.3Confident42 Ų4295.6 Ų95.626%0.25847%0.469SS..Hα-helixtrans-65.2-44.9172.9-60.50000111.3I219 A220 S221 L225 L226 F227I219-T223 WeakPolarHBondContact O-CB 3.44Å; I219-T223 PolarHBondContact O-N 3.44Å; I219-T223 PolarHBondContact O-OG1 3.07Å; A220-T223 WeakPolarHBondContact O-CB 3.33Å; A220-T223 PolarHBondContact O-N 2.99Å; S221-T223 VanDerWaalsContact C-N 3.35Å; T223-L225 VanDerWaalsContact C-N 3.32Å; T223-L225 PolarHBondContact O-N 2.68Å; T223-L226 PolarHBondContact O-N 3.37Å; T223-F227 HydrophobicContact CG2-CD2 3.56Å; T223-F227 HydrophobicContact CG2-CE2 3.24Å; T223-F227 HydrophobicContact CG2-CZ 4.32Å; T223-F227 WeakPolarHBondContact O-CB 3.38Å; T223-F227 WeakPolarHBondContact O-CD2 3.48Å; T223-F227 WeakPolarHBondContact O-CG 3.16Å; T223-F227 PolarHBondContact O-N 2.89Å
224V74.1Confident72.8Confident96 Ų9688.5 Ų88.558%0.58245%0.447SS*.Hα-helixtrans-62.1-40175.1168.60000111.2A220 S221 F227 S228A220-V224 WeakPolarHBondContact O-CB 3.27Å; A220-V224 VanDerWaalsContact O-CG2 3.24Å; A220-V224 WeakPolarHBondContact O-CG2 3.37Å; A220-V224 PolarHBondContact O-N 3.48Å; S221-V224 PolarHBondContact O-N 3.42Å; V224-F227 CarbonylContact O-C 3.53Å; V224-F227 PolarHBondContact O-N 3.46Å; V224-S228 WeakPolarHBondContact O-CB 3.43Å; V224-S228 PolarHBondContact O-N 3.15Å
225L75.8Confident72.8Confident116 Ų11688.1 Ų88.161%0.60745%0.449SS*.Hα-helixtrans-66.9-42.7177.8-163.9151.3000111.4S221 R222 T223 F227 S228 V229S221-L225 WeakPolarHBondContact O-CB 3.42Å; S221-L225 PolarHBondContact O-N 3.46Å; R222-L225 PolarHBondContact O-N 3.01Å; T223-L225 VanDerWaalsContact C-N 3.32Å; T223-L225 PolarHBondContact O-N 2.68Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-F227 PolarHBondContact O-N 3.45Å; L225-S228 WeakPolarHBondContact O-CB 3.23Å; L225-S228 PolarHBondContact O-N 3.35Å; L225-S228 VanDerWaalsContact O-N 3.14Å; L225-V229 HydrophobicContact CD2-CG2 4.2Å; L225-V229 WeakPolarHBondContact O-CG2 3.27Å; L225-V229 PolarHBondContact O-N 3.39Å
226L72Confident72.9Confident68 Ų6888.6 Ų88.636%0.35646%0.455SS..Hα-helixtrans-58.4-47.2173.2-162.5175000110.3R222 T223 S228 V229 L230 F368R222-L226 WeakPolarHBondContact O-CB 3.45Å; R222-L226 PolarHBondContact O-N 3.32Å; T223-L226 PolarHBondContact O-N 3.37Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-S228 PolarHBondContact O-N 3.01Å; L226-V229 PolarHBondContact O-N 3.28Å; L226-L230 HydrophobicContact CD2-CD1 3.29Å; L226-L230 HydrophobicContact CD2-CG 3.98Å; L226-L230 PolarHBondContact O-N 3.36Å; L226-F368 HydrophobicContact CD1-CD1 4.46Å; L226-F368 HydrophobicContact CD1-CE1 3.83Å; L226-F368 HydrophobicContact CD1-CZ 3.93Å
227F69.9Low72.6Confident69 Ų6985.2 Ų85.230%0.30345%0.45SS..Hα-helixtrans-64.1-35.3175.3-75.8-52.4000112.8T223 V224 L225 L230 Y231 F239 I243T223-F227 HydrophobicContact CG2-CD2 3.56Å; T223-F227 HydrophobicContact CG2-CE2 3.24Å; T223-F227 HydrophobicContact CG2-CZ 4.32Å; T223-F227 WeakPolarHBondContact O-CB 3.38Å; T223-F227 WeakPolarHBondContact O-CD2 3.48Å; T223-F227 WeakPolarHBondContact O-CG 3.16Å; T223-F227 PolarHBondContact O-N 2.89Å; V224-F227 CarbonylContact O-C 3.53Å; V224-F227 PolarHBondContact O-N 3.46Å; L225-F227 VanDerWaalsContact C-N 3.32Å; L225-F227 PolarHBondContact O-N 3.45Å; F227-L230 HydrophobicContact CD1-CD1 4.13Å; F227-L230 PolarHBondContact O-N 3.14Å; F227-Y231 WeakPolarHBondContact O-CB 3.43Å; F227-Y231 PolarHBondContact O-N 3.4Å; F227-F239 HydrophobicContact CB-CE2 3.87Å; F227-F239 HydrophobicContact CB-CZ 3.88Å; F227-F239 AromaticContact CD1-CE2 3.89Å; F227-F239 HydrophobicContact CD1-CE2 3.89Å; F227-F239 HydrophobicContact CD1-CZ 4.37Å; F227-F239 HydrophobicContact CG-CE2 4.32Å; F227-F239 HydrophobicContact CG-CZ 4.46Å; F227-F239 WeakPolarHBondContact O-CE2 3.22Å; F227-F239 WeakPolarHBondContact O-CZ 3.36Å; F227-I243 HydrophobicContact CD1-CD1 3.99Å; F227-I243 HydrophobicContact CD1-CG1 3.82Å; F227-I243 HydrophobicContact CE1-CD1 4.28Å; F227-I243 HydrophobicContact CE1-CG1 3.64Å; F227-I243 HydrophobicContact CG-CD1 4.36Å; F227-I243 HydrophobicContact CZ-CG1 4.25Å
228S70.2Confident72.1Confident64 Ų6489 Ų8945%0.44846%0.459SS..Hα-helixtrans-65.6-41.6175.9-177.80000112V224 L225 L226 Y231 M232V224-S228 WeakPolarHBondContact O-CB 3.43Å; V224-S228 PolarHBondContact O-N 3.15Å; L225-S228 WeakPolarHBondContact O-CB 3.23Å; L225-S228 PolarHBondContact O-N 3.35Å; L225-S228 VanDerWaalsContact O-N 3.14Å; L226-S228 VanDerWaalsContact C-N 3.33Å; L226-S228 PolarHBondContact O-N 3.01Å; S228-Y231 WeakPolarHBondContact O-CB 3.14Å; S228-Y231 PolarHBondContact O-N 2.71Å; S228-M232 WeakPolarHBondContact O-CG 3.34Å; S228-M232 PolarHBondContact O-N 3.45Å
229V72.9Confident71.9Confident79 Ų7985.3 Ų85.348%0.47945%0.445SS..Hα-helixtrans-65.7-43.2174.61750000110.6L225 L226 Y231 M232 Y233L225-V229 HydrophobicContact CD2-CG2 4.2Å; L225-V229 WeakPolarHBondContact O-CG2 3.27Å; L225-V229 PolarHBondContact O-N 3.39Å; L226-V229 PolarHBondContact O-N 3.28Å; V229-Y231 VanDerWaalsContact C-N 3.29Å; V229-Y231 PolarHBondContact O-N 3.26Å; V229-M232 PolarHBondContact O-N 3.19Å; V229-Y233 HydrophobicContact CG1-CD2 4.36Å; V229-Y233 PolarHBondContact O-N 2.93Å
230L69.9Low71.9Confident68 Ų6885.5 Ų85.536%0.35645%0.449SS..Hα-helixtrans-60.4-37.5172.7-83.6164.9000112.3L226 F227 Y233 S234 F239L226-L230 HydrophobicContact CD2-CD1 3.29Å; L226-L230 HydrophobicContact CD2-CG 3.98Å; L226-L230 PolarHBondContact O-N 3.36Å; F227-L230 HydrophobicContact CD1-CD1 4.13Å; F227-L230 PolarHBondContact O-N 3.14Å; L230-Y233 PolarHBondContact O-N 2.84Å; L230-S234 WeakPolarHBondContact O-CA 3.44Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 2.74Å; L230-F239 HydrophobicContact CB-CD2 3.97Å; L230-F239 HydrophobicContact CB-CE2 4.02Å
231Y71.1Confident71.8Confident108 Ų10888.9 Ų88.942%0.42446%0.461SS..Hα-helixtrans-67-42175.8175.1-94.6000111.7F227 S228 V229 Y233 V236 F239F227-Y231 WeakPolarHBondContact O-CB 3.43Å; F227-Y231 PolarHBondContact O-N 3.4Å; S228-Y231 WeakPolarHBondContact O-CB 3.14Å; S228-Y231 PolarHBondContact O-N 2.71Å; V229-Y231 VanDerWaalsContact C-N 3.29Å; V229-Y231 PolarHBondContact O-N 3.26Å; Y231-Y233 VanDerWaalsContact C-N 3.29Å; Y231-Y233 PolarHBondContact O-N 3.44Å; Y231-V236 HydrophobicContact CE2-CG2 3.9Å; Y231-F239 AromaticContact CD2-CD1 3.81Å; Y231-F239 HydrophobicContact CD2-CD1 3.81Å; Y231-F239 AromaticContact CD2-CE1 4Å; Y231-F239 HydrophobicContact CD2-CE1 4Å; Y231-F239 HydrophobicContact CD2-CG 4.24Å
232M67.7Low71.3Confident136 Ų13690.3 Ų90.367%0.6747%0.467SS*.Hα-helixtrans-68.8-27.9177.8-73-85.976.600113S228 V229S228-M232 WeakPolarHBondContact O-CG 3.34Å; S228-M232 PolarHBondContact O-N 3.45Å; V229-M232 PolarHBondContact O-N 3.19Å
233Y67.7Low71.6Confident209 Ų20989.5 Ų89.582%0.8247%0.468SS*.Hα-helixtrans-101.9-4.4-179-86.2-94.5000114.7V229 L230 Y231V229-Y233 HydrophobicContact CG1-CD2 4.36Å; V229-Y233 PolarHBondContact O-N 2.93Å; L230-Y233 PolarHBondContact O-N 2.84Å; Y231-Y233 VanDerWaalsContact C-N 3.29Å; Y231-Y233 PolarHBondContact O-N 3.44Å
234S67.5Low71.6Confident36 Ų3691 Ų9125%0.25248%0.48SS..SBendtrans-131.5141.8-176.9-156.60000111.6L230 V236 R238L230-S234 WeakPolarHBondContact O-CA 3.44Å; L230-S234 WeakPolarHBondContact O-CB 3.48Å; L230-S234 PolarHBondContact O-N 2.74Å; S234-V236 PolarHBondContact O-N 3.37Å; S234-R238 WeakPolarHBondContact OG-CB 3.41Å
235T73.5Confident71.7Confident94 Ų9489.4 Ų89.458%0.57747%0.472SS*.  trans-56.5140.2175.7-24.20000109.8S237 R238 F239T235-S237 PolarHBondContact O-N 2.79Å; T235-R238 PolarHBondContact O-N 3.47Å; T235-F239 PolarHBondContact O-N 3.09Å; T235-F239 VanDerWaalsContact O-N 3.08Å
236V70.9Confident71.7Confident81 Ų8185.8 Ų85.849%0.49146%0.463SS..Hα-helixtrans-46.8-40.2-176.5-177.40000112.7Y231 S234 F239 V240Y231-V236 HydrophobicContact CE2-CG2 3.9Å; S234-V236 PolarHBondContact O-N 3.37Å; V236-F239 PolarHBondContact O-N 2.83Å; V236-V240 HydrophobicContact CG1-CG2 4.41Å; V236-V240 VanDerWaalsContact O-CG2 3.29Å; V236-V240 WeakPolarHBondContact O-CG2 3.2Å; V236-V240 PolarHBondContact O-N 3.32Å
237S69.4Low72.1Confident84 Ų8489.5 Ų89.559%0.58748%0.477SS*.Hα-helixtrans-63.5-41.8177.5172.60000113.8T235 L241T235-S237 PolarHBondContact O-N 2.79Å; S237-L241 PolarHBondContact O-N 2.89Å; S237-L241 VanDerWaalsContact O-N 3.09Å
238R69.5Low72.5Confident168 Ų16891.8 Ų91.863%0.63449%0.486SS*.Hα-helixtrans-70.2-39.5178.3-71-178.3176.8170-0111S234 T235 L241 V242S234-R238 WeakPolarHBondContact OG-CB 3.41Å; T235-R238 PolarHBondContact O-N 3.47Å; R238-L241 PolarHBondContact O-N 2.94Å; R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.19Å; R238-V242 PolarHBondContact O-N 3.33Å
239F70.7Confident72.7Confident33 Ų3395.2 Ų95.215%0.14549%0.493CS..Hα-helixtrans-61.1-49.2176.2177.9-107.8000112.2F227 L230 Y231 T235 V236 L241 V242 I243F227-F239 HydrophobicContact CB-CE2 3.87Å; F227-F239 HydrophobicContact CB-CZ 3.88Å; F227-F239 AromaticContact CD1-CE2 3.89Å; F227-F239 HydrophobicContact CD1-CE2 3.89Å; F227-F239 HydrophobicContact CD1-CZ 4.37Å; F227-F239 HydrophobicContact CG-CE2 4.32Å; F227-F239 HydrophobicContact CG-CZ 4.46Å; F227-F239 WeakPolarHBondContact O-CE2 3.22Å; F227-F239 WeakPolarHBondContact O-CZ 3.36Å; L230-F239 HydrophobicContact CB-CD2 3.97Å; L230-F239 HydrophobicContact CB-CE2 4.02Å; Y231-F239 AromaticContact CD2-CD1 3.81Å; Y231-F239 HydrophobicContact CD2-CD1 3.81Å; Y231-F239 AromaticContact CD2-CE1 4Å; Y231-F239 HydrophobicContact CD2-CE1 4Å; Y231-F239 HydrophobicContact CD2-CG 4.24Å; T235-F239 PolarHBondContact O-N 3.09Å; T235-F239 VanDerWaalsContact O-N 3.08Å; V236-F239 PolarHBondContact O-N 2.83Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.05Å; F239-V242 PolarHBondContact O-N 2.85Å; F239-I243 HydrophobicContact CD1-CD1 4Å; F239-I243 HydrophobicContact CD2-CD1 4.33Å; F239-I243 HydrophobicContact CE1-CD1 3.38Å; F239-I243 HydrophobicContact CE2-CD1 3.72Å; F239-I243 HydrophobicContact CE2-CG1 4.34Å; F239-I243 HydrophobicContact CG-CD1 4.46Å; F239-I243 HydrophobicContact CZ-CD1 3.24Å; F239-I243 HydrophobicContact CZ-CG1 4.31Å; F239-I243 PolarHBondContact O-N 3.47Å
240V74.3Confident72.8Confident74 Ų7498.3 Ų98.345%0.44850%0.498SS..Hα-helixtrans-61.8-42.5177.3172.60000111.2V236 V242 I243 C244V236-V240 HydrophobicContact CG1-CG2 4.41Å; V236-V240 VanDerWaalsContact O-CG2 3.29Å; V236-V240 WeakPolarHBondContact O-CG2 3.2Å; V236-V240 PolarHBondContact O-N 3.32Å; V240-V242 PolarHBondContact O-N 3.47Å; V240-I243 PolarHBondContact O-N 3.25Å; V240-C244 WeakPolarHBondContact O-CB 3.21Å; V240-C244 PolarHBondContact O-N 3.36Å; V240-C244 PolarHBondContact O-SG 2.94Å; V240-C244 VanDerWaalsContact O-SG 3.32Å
241L72Confident73.1Confident108 Ų10896.3 Ų96.357%0.56549%0.491SS*.Hα-helixtrans-60.4-44176.5-97.6179.1000112.6S237 R238 F239 C244 C245S237-L241 PolarHBondContact O-N 2.89Å; S237-L241 VanDerWaalsContact O-N 3.09Å; R238-L241 PolarHBondContact O-N 2.94Å; F239-L241 VanDerWaalsContact C-N 3.35Å; F239-L241 PolarHBondContact O-N 3.05Å; L241-C244 PolarHBondContact O-N 2.89Å; L241-C245 WeakPolarHBondContact O-CB 3.5Å; L241-C245 PolarHBondContact O-N 3.45Å; L241-C245 PolarHBondContact O-SG 3.42Å
242V72.1Confident73.2Confident86 Ų8696 Ų9652%0.52149%0.492SS..Hα-helixtrans-66.7-39.8-179.8173.20000111.2R238 F239 V240 G246R238-V242 VanDerWaalsContact O-CG2 3.27Å; R238-V242 WeakPolarHBondContact O-CG2 3.19Å; R238-V242 PolarHBondContact O-N 3.33Å; F239-V242 PolarHBondContact O-N 2.85Å; V240-V242 PolarHBondContact O-N 3.47Å; V242-G246 PolarHBondContact O-N 3.33Å
243I77.1Confident73Confident60 Ų6097.3 Ų97.331%0.30850%0.497SS..Hα-helixtrans-63.9-48.2174.1-72178.1000111F227 F239 V240 C245 G246 F247F227-I243 HydrophobicContact CD1-CD1 3.99Å; F227-I243 HydrophobicContact CD1-CG1 3.82Å; F227-I243 HydrophobicContact CE1-CD1 4.28Å; F227-I243 HydrophobicContact CE1-CG1 3.64Å; F227-I243 HydrophobicContact CG-CD1 4.36Å; F227-I243 HydrophobicContact CZ-CG1 4.25Å; F239-I243 HydrophobicContact CD1-CD1 4Å; F239-I243 HydrophobicContact CD2-CD1 4.33Å; F239-I243 HydrophobicContact CE1-CD1 3.38Å; F239-I243 HydrophobicContact CE2-CD1 3.72Å; F239-I243 HydrophobicContact CE2-CG1 4.34Å; F239-I243 HydrophobicContact CG-CD1 4.46Å; F239-I243 HydrophobicContact CZ-CD1 3.24Å; F239-I243 HydrophobicContact CZ-CG1 4.31Å; F239-I243 PolarHBondContact O-N 3.47Å; V240-I243 PolarHBondContact O-N 3.25Å; I243-C245 VanDerWaalsContact C-N 3.34Å; I243-C245 PolarHBondContact O-N 2.73Å; I243-G246 PolarHBondContact O-N 3.37Å; I243-F247 VanDerWaalsContact O-CB 3.3Å; I243-F247 WeakPolarHBondContact O-CB 3.22Å; I243-F247 PolarHBondContact O-N 2.83Å
244C75.7Confident72.7Confident74 Ų7491.9 Ų91.950%0.549%0.485SS..Hα-helixtrans-61.8-42.8179.1-72.20000111.6V240 L241 F248V240-C244 WeakPolarHBondContact O-CB 3.21Å; V240-C244 PolarHBondContact O-N 3.36Å; V240-C244 PolarHBondContact O-SG 2.94Å; V240-C244 VanDerWaalsContact O-SG 3.32Å; L241-C244 PolarHBondContact O-N 2.89Å; C244-F248 WeakPolarHBondContact O-CB 3.43Å; C244-F248 PolarHBondContact O-N 2.97Å
245C76.5Confident71.9Confident62 Ų6291.8 Ų91.842%0.41949%0.489SS..Hα-helixtrans-65.2-45175-77.60000112L241 I243 F248 F249L241-C245 WeakPolarHBondContact O-CB 3.5Å; L241-C245 PolarHBondContact O-N 3.45Å; L241-C245 PolarHBondContact O-SG 3.42Å; I243-C245 VanDerWaalsContact C-N 3.34Å; I243-C245 PolarHBondContact O-N 2.73Å; C245-F248 WeakPolarHBondContact O-CB 3.46Å; C245-F248 PolarHBondContact O-N 2.97Å; C245-F249 WeakPolarHBondContact O-CD2 3.43Å; C245-F249 PolarHBondContact O-N 3.47Å
246G74.6Confident71Confident41 Ų4197.4 Ų97.442%0.42350%0.5SS..Hα-helixtrans-62.4-43.2177.900000112.4V242 I243 F249 Y250V242-G246 PolarHBondContact O-N 3.33Å; I243-G246 PolarHBondContact O-N 3.37Å; G246-F249 PolarHBondContact O-N 2.8Å; G246-Y250 WeakPolarHBondContact O-CB 3.43Å; G246-Y250 PolarHBondContact O-N 2.69Å
247F80.1Confident70.1Confident146 Ų14699.2 Ų99.264%0.6450%0.502SS*.Hα-helixtrans-65.5-39.3174.2-175-96.2000112I243 Y250 A251I243-F247 VanDerWaalsContact O-CB 3.3Å; I243-F247 WeakPolarHBondContact O-CB 3.22Å; I243-F247 PolarHBondContact O-N 2.83Å; F247-Y250 PolarHBondContact O-N 2.95Å; F247-A251 VanDerWaalsContact O-CB 3.28Å; F247-A251 WeakPolarHBondContact O-CB 3.12Å; F247-A251 PolarHBondContact O-N 3.29Å
248F78.7Confident69.2Low116 Ų11697.8 Ų97.851%0.50950%0.5SS..Hα-helixtrans-62.8-52.5174.8-173.5-92.9000110.5C244 C245 Y250 A251 F252C244-F248 WeakPolarHBondContact O-CB 3.43Å; C244-F248 PolarHBondContact O-N 2.97Å; C245-F248 WeakPolarHBondContact O-CB 3.46Å; C245-F248 PolarHBondContact O-N 2.97Å; F248-Y250 VanDerWaalsContact C-N 3.31Å; F248-Y250 PolarHBondContact O-N 3.14Å; F248-A251 PolarHBondContact O-N 3.45Å; F248-A251 VanDerWaalsContact O-N 3.13Å; F248-F252 AromaticContact CD1-CD2 3.65Å; F248-F252 HydrophobicContact CD1-CD2 3.65Å; F248-F252 AromaticContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD2-CD2 4.17Å; F248-F252 AromaticContact CD2-CE2 3.75Å; F248-F252 HydrophobicContact CD2-CE2 3.75Å; F248-F252 AromaticContact CE1-CD2 3.54Å; F248-F252 HydrophobicContact CE1-CD2 3.54Å; F248-F252 AromaticContact CE1-CE2 3.23Å; F248-F252 HydrophobicContact CE1-CE2 3.23Å; F248-F252 HydrophobicContact CE1-CG 4.33Å; F248-F252 AromaticContact CE1-CZ 3.75Å; F248-F252 HydrophobicContact CE1-CZ 3.75Å; F248-F252 HydrophobicContact CE2-CD2 4.1Å; F248-F252 AromaticContact CE2-CE2 3.26Å; F248-F252 HydrophobicContact CE2-CE2 3.26Å; F248-F252 AromaticContact CE2-CZ 3.98Å; F248-F252 HydrophobicContact CE2-CZ 3.98Å; F248-F252 AromaticContact CG-CD2 3.98Å; F248-F252 HydrophobicContact CG-CD2 3.98Å; F248-F252 AromaticContact CG-CE2 3.99Å; F248-F252 HydrophobicContact CG-CE2 3.99Å; F248-F252 AromaticContact CZ-CD2 3.8Å; F248-F252 HydrophobicContact CZ-CD2 3.8Å; F248-F252 HydrophobicContact CZ-CE1 4.46Å; F248-F252 AromaticContact CZ-CE2 2.98Å; F248-F252 HydrophobicContact CZ-CE2 2.98Å; F248-F252 AromaticContact CZ-CZ 3.38Å; F248-F252 HydrophobicContact CZ-CZ 3.38Å; F248-F252 WeakPolarHBondContact O-CD2 3.24Å; F248-F252 PolarHBondContact O-N 2.88Å
249F75.5Confident68.2Low136 Ų136101 Ų10160%0.59651%0.512SS*.Hα-helixtrans-59.6-41.7176.8-78.9-66.3000112.1C245 G246 A251 F252 E253C245-F249 WeakPolarHBondContact O-CD2 3.43Å; C245-F249 PolarHBondContact O-N 3.47Å; G246-F249 PolarHBondContact O-N 2.8Å; F249-A251 PolarHBondContact O-N 3.16Å; F249-F252 PolarHBondContact O-N 3.21Å; F249-E253 VanDerWaalsContact O-CB 3.24Å; F249-E253 WeakPolarHBondContact O-CB 3.2Å; F249-E253 PolarHBondContact O-N 3.46Å
250Y73.8Confident67Low145 Ų145108.3 Ų108.357%0.56954%0.539SS*.Hα-helixtrans-61.4-43.6174.1-178.4-99.9000112.4G246 F247 F248 F252 E253 V254G246-Y250 WeakPolarHBondContact O-CB 3.43Å; G246-Y250 PolarHBondContact O-N 2.69Å; F247-Y250 PolarHBondContact O-N 2.95Å; F248-Y250 VanDerWaalsContact C-N 3.31Å; F248-Y250 PolarHBondContact O-N 3.14Å; Y250-F252 VanDerWaalsContact C-N 3.32Å; Y250-F252 PolarHBondContact O-N 2.9Å; Y250-E253 PolarHBondContact O-N 2.86Å; Y250-V254 HydrophobicContact CD1-CG2 4.22Å; Y250-V254 HydrophobicContact CD2-CG2 3.82Å; Y250-V254 HydrophobicContact CE1-CB 4.47Å; Y250-V254 HydrophobicContact CE1-CG2 3.92Å; Y250-V254 HydrophobicContact CE2-CG2 3.5Å; Y250-V254 HydrophobicContact CG-CG2 4.18Å; Y250-V254 VanDerWaalsContact O-CB 3.23Å; Y250-V254 WeakPolarHBondContact O-CB 3.34Å; Y250-V254 VanDerWaalsContact O-CG2 3.28Å; Y250-V254 WeakPolarHBondContact O-CG2 3.29Å; Y250-V254 PolarHBondContact O-N 3.47Å
251A76.4Confident65.9Low26 Ų26110.7 Ų110.722%0.21555%0.549CS..Hα-helixtrans-66.9-32.6176.500000112.7F247 F248 F249 W256F247-A251 VanDerWaalsContact O-CB 3.28Å; F247-A251 WeakPolarHBondContact O-CB 3.12Å; F247-A251 PolarHBondContact O-N 3.29Å; F248-A251 PolarHBondContact O-N 3.45Å; F248-A251 VanDerWaalsContact O-N 3.13Å; F249-A251 PolarHBondContact O-N 3.16Å; A251-W256 WeakPolarHBondContact O-CB 3.39Å; A251-W256 PolarHBondContact O-N 3.26Å; A251-W256 VanDerWaalsContact O-N 3.16Å
252F72.5Confident64.9Low101 Ų101110.3 Ų110.344%0.44355%0.553SS.*Hα-helixtrans-70.5-40.1172.8-89.9-99000111.8F248 F249 Y250 F257F248-F252 AromaticContact CD1-CD2 3.65Å; F248-F252 HydrophobicContact CD1-CD2 3.65Å; F248-F252 AromaticContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD1-CE2 3.74Å; F248-F252 HydrophobicContact CD2-CD2 4.17Å; F248-F252 AromaticContact CD2-CE2 3.75Å; F248-F252 HydrophobicContact CD2-CE2 3.75Å; F248-F252 AromaticContact CE1-CD2 3.54Å; F248-F252 HydrophobicContact CE1-CD2 3.54Å; F248-F252 AromaticContact CE1-CE2 3.23Å; F248-F252 HydrophobicContact CE1-CE2 3.23Å; F248-F252 HydrophobicContact CE1-CG 4.33Å; F248-F252 AromaticContact CE1-CZ 3.75Å; F248-F252 HydrophobicContact CE1-CZ 3.75Å; F248-F252 HydrophobicContact CE2-CD2 4.1Å; F248-F252 AromaticContact CE2-CE2 3.26Å; F248-F252 HydrophobicContact CE2-CE2 3.26Å; F248-F252 AromaticContact CE2-CZ 3.98Å; F248-F252 HydrophobicContact CE2-CZ 3.98Å; F248-F252 AromaticContact CG-CD2 3.98Å; F248-F252 HydrophobicContact CG-CD2 3.98Å; F248-F252 AromaticContact CG-CE2 3.99Å; F248-F252 HydrophobicContact CG-CE2 3.99Å; F248-F252 AromaticContact CZ-CD2 3.8Å; F248-F252 HydrophobicContact CZ-CD2 3.8Å; F248-F252 HydrophobicContact CZ-CE1 4.46Å; F248-F252 AromaticContact CZ-CE2 2.98Å; F248-F252 HydrophobicContact CZ-CE2 2.98Å; F248-F252 AromaticContact CZ-CZ 3.38Å; F248-F252 HydrophobicContact CZ-CZ 3.38Å; F248-F252 WeakPolarHBondContact O-CD2 3.24Å; F248-F252 PolarHBondContact O-N 2.88Å; F249-F252 PolarHBondContact O-N 3.21Å; Y250-F252 VanDerWaalsContact C-N 3.32Å; Y250-F252 PolarHBondContact O-N 2.9Å; F252-F257 HydrophobicContact CD1-CD2 4.27Å; F252-F257 HydrophobicContact CE1-CD2 4.01Å; F252-F257 AromaticContact CE1-CE2 3.82Å; F252-F257 HydrophobicContact CE1-CE2 3.82Å; F252-F257 HydrophobicContact CZ-CE2 4.32Å
253E64.3Low64Low164 Ų164109.8 Ų109.877%0.76656%0.557SS**Hα-helixtrans-79.4-34.2-176.9-158.3162-15700112.4F249 Y250 G255F249-E253 VanDerWaalsContact O-CB 3.24Å; F249-E253 WeakPolarHBondContact O-CB 3.2Å; F249-E253 PolarHBondContact O-N 3.46Å; Y250-E253 PolarHBondContact O-N 2.86Å; E253-G255 PolarHBondContact O-N 3.45Å
254V61.8Low62.8Low94 Ų94111 Ų11157%0.5758%0.577SS**THydrogen-bonded Turntrans-82.23.6177.31770000113.2Y250Y250-V254 HydrophobicContact CD1-CG2 4.22Å; Y250-V254 HydrophobicContact CD2-CG2 3.82Å; Y250-V254 HydrophobicContact CE1-CB 4.47Å; Y250-V254 HydrophobicContact CE1-CG2 3.92Å; Y250-V254 HydrophobicContact CE2-CG2 3.5Å; Y250-V254 HydrophobicContact CG-CG2 4.18Å; Y250-V254 VanDerWaalsContact O-CB 3.23Å; Y250-V254 WeakPolarHBondContact O-CB 3.34Å; Y250-V254 VanDerWaalsContact O-CG2 3.28Å; Y250-V254 WeakPolarHBondContact O-CG2 3.29Å; Y250-V254 PolarHBondContact O-N 3.47Å
255G50.9Low61.6Low34 Ų34117.5 Ų117.535%0.35159%0.591SS.*THydrogen-bonded Turntrans94.141.4161.800000115.6E253 F257 G258E253-G255 PolarHBondContact O-N 3.45Å; G255-F257 PolarHBondContact O-N 2.82Å; G255-G258 VanDerWaalsContact C-N 3.33Å; G255-G258 WeakPolarHBondContact O-CA 3.33Å; G255-G258 PolarHBondContact O-N 2.94Å
256W54Low60.3Low212 Ų212122.2 Ų122.280%0.80361%0.607SS**THydrogen-bonded Turntrans-59.2-28.3155.6-163.1-72000111.5A251A251-W256 WeakPolarHBondContact O-CB 3.39Å; A251-W256 PolarHBondContact O-N 3.26Å; A251-W256 VanDerWaalsContact O-N 3.16Å
257F51.1Low59Low120 Ų120131 Ų13153%0.52663%0.627SS.*THydrogen-bonded Turntrans-91.36167.7-88.5-83.6000114.4F252 G255 R259 W260F252-F257 HydrophobicContact CD1-CD2 4.27Å; F252-F257 HydrophobicContact CE1-CD2 4.01Å; F252-F257 AromaticContact CE1-CE2 3.82Å; F252-F257 HydrophobicContact CE1-CE2 3.82Å; F252-F257 HydrophobicContact CZ-CE2 4.32Å; G255-F257 PolarHBondContact O-N 2.82Å; F257-R259 PolarHBondContact O-N 3.3Å; F257-W260 HydrophobicContact CD1-CB 4.3Å; F257-W260 HydrophobicContact CD1-CG 4.22Å; F257-W260 PolarHBondContact O-N 2.95Å; F257-W260 VanDerWaalsContact O-N 3.11Å
258G50.6Low57.4Low53 Ų53134.2 Ų134.255%0.54664%0.635SS.*G310 helixtrans-72.3-10.5175.200000114.2G255 W260G255-G258 VanDerWaalsContact C-N 3.33Å; G255-G258 WeakPolarHBondContact O-CA 3.33Å; G255-G258 PolarHBondContact O-N 2.94Å; G258-W260 VanDerWaalsContact C-N 3.26Å
259R50.3Low55.7Low235 Ų235135.7 Ų135.789%0.88765%0.648SS**G310 helixtrans-80.6-6.7169.2-151.2-178.9-157.6-156.45.1113.3F257F257-R259 PolarHBondContact O-N 3.3Å
260W45.3Very low54.6Low188 Ų188134.5 Ų134.571%0.71265%0.652SS**G310 helixtrans-119.633.3-173.2-6172.5000111.7F257 G258 P262F257-W260 HydrophobicContact CD1-CB 4.3Å; F257-W260 HydrophobicContact CD1-CG 4.22Å; F257-W260 PolarHBondContact O-N 2.95Å; F257-W260 VanDerWaalsContact O-N 3.11Å; G258-W260 VanDerWaalsContact C-N 3.26Å; W260-P262 WeakPolarHBondContact O-CD 3.28Å
261N49.5Very low53.4Low124 Ų124132.9 Ų132.966%0.66366%0.659SS**  trans-100.774.5168.2-127.912.5000109.6A263N261-A263 PolarHBondContact O-N 3.19Å; N261-A263 VanDerWaalsContact O-N 3.14Å
262P51Low52.1Low100 Ų100139.7 Ų139.765%0.64969%0.686SS**G310 helixtrans-66.3-6.9173.428.4-33000112.7W260 A264 R265W260-P262 WeakPolarHBondContact O-CD 3.28Å; P262-A264 PolarHBondContact O-N 2.95Å; P262-R265 PolarHBondContact O-N 3.29Å; P262-R265 VanDerWaalsContact O-N 3.17Å
263A53.7Low50.9Low74 Ų74140.6 Ų140.661%0.61270%0.703SS**G310 helixtrans-70.4-9.8-178.500000115.3N261N261-A263 PolarHBondContact O-N 3.19Å; N261-A263 VanDerWaalsContact O-N 3.14Å
264A53.2Low50.4Low87 Ų87141 Ų14172%0.71971%0.705SS**G310 helixtrans-91.6-2.1172.900000113.7P262P262-A264 PolarHBondContact O-N 2.95Å
265R49.6Very low49.8Very low209 Ų209144.7 Ų144.779%0.78972%0.716SS**THydrogen-bonded Turntrans-104.8-17.1-177-159.3169.3-179.8177.4-1114P262P262-R265 PolarHBondContact O-N 3.29Å; P262-R265 VanDerWaalsContact O-N 3.17Å
266E49.9Very low49.7Very low162 Ų162150 Ų15076%0.75774%0.735SS**G310 helixtrans-84.4-23-176.9-155.989.3-154.300113.7R268E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 3.35Å
267R46.1Very low49.4Very low225 Ų225146.1 Ų146.185%0.84973%0.73SS**G310 helixtrans-78.5-4.1178.4-73.2-124.9-147.1-153.87114.7N269R267-N269 VanDerWaalsContact C-N 3.27Å; R267-N269 PolarHBondContact O-N 2.95Å
268R47.2Very low49.5Very low214 Ų214144.5 Ų144.581%0.80874%0.739SS**G310 helixtrans-83-0177.5-157.1-174.7-69.5-176.9-4.3113.3E266E266-R268 VanDerWaalsContact C-N 3.28Å; E266-R268 PolarHBondContact O-N 3.35Å
269N43.1Very low49.5Very low146 Ų146152.2 Ų152.278%0.78175%0.751SS**G310 helixtrans-123.322.6-177.7-83.8-34.4000113.8R267 P271R267-N269 VanDerWaalsContact C-N 3.27Å; R267-N269 PolarHBondContact O-N 2.95Å; N269-P271 WeakPolarHBondContact O-CD 3.32Å
270V51.3Low49.6Very low112 Ų112146.8 Ų146.868%0.67974%0.736SS**  trans-88.4111.1166.6-177.40000107.3E272V270-E272 PolarHBondContact O-N 3.08Å; V270-E272 VanDerWaalsContact O-N 3.16Å
271P50.6Low49.9Very low111 Ų111144.2 Ų144.272%0.72174%0.735SS**  trans-68.4113.6176.826.9-27.4000107.8N269 P273N269-P271 WeakPolarHBondContact O-CD 3.32Å; P271-P273 WeakPolarHBondContact O-CD 3.45Å
272E48.7Very low49.8Very low168 Ų168140.5 Ų140.579%0.78573%0.727SS**  trans-61.2119.4175.4-160.4177.3119.800108.8V270 E274V270-E272 PolarHBondContact O-N 3.08Å; V270-E272 VanDerWaalsContact O-N 3.16Å; E272-E274 PolarHBondContact O-N 2.74Å
273P47.7Very low49.7Very low121 Ų121140.2 Ų140.279%0.78672%0.72SS**SBendtrans-92.867.7-174.736.1-31.2000109.7P271P271-P273 WeakPolarHBondContact O-CD 3.45Å
274E52.7Low49.8Very low172 Ų172140.4 Ų140.480%0.80471%0.713SS**  trans-158.728.4178.4-120.9172-167.100117.6E272E272-E274 PolarHBondContact O-N 2.74Å
275E48.8Very low49.7Very low172 Ų172142.6 Ų142.680%0.80471%0.708SS**SBendtrans-132.514.6170.5-89.4-162.7116.300115
276L50Low49.9Very low144 Ų144138.9 Ų138.975%0.75470%0.7SS**SBendtrans-86.1-15.6178.1-131.797.7000114.9
277D46.5Very low50Low132 Ų132139.8 Ų139.871%0.70670%0.696SS**SBendtrans-91.2-23.1-177.7-101.2-38.1000114.4
278A53.2Low50.3Low85 Ų85134.7 Ų134.770%0.70268%0.682SS**THydrogen-bonded Turntrans-84.1-18.4-176.900000113.9
279R52Low50.6Low215 Ų215131 Ų13181%0.81167%0.674SS**THydrogen-bonded Turntrans-97.6-10.8174.8-94.6179.7154.5155.3-3.7114N283R279-N283 PolarHBondContact O-ND2 3.33Å
280E51Low50.9Low121 Ų121133.3 Ų133.357%0.56567%0.671SS**THydrogen-bonded Turntrans-86.6-31.6172.4-134.2173.3108.200111.7G282 N283 V284E280-G282 PolarHBondContact O-N 3.35Å; E280-N283 PolarHBondContact O-N 2.9Å; E280-V284 VanDerWaalsContact O-CG2 3.28Å; E280-V284 WeakPolarHBondContact O-CG2 3.06Å; E280-V284 PolarHBondContact O-N 3.17Å
281L52.6Low50.8Low134 Ų134135.8 Ų135.870%0.70268%0.676SS**Hα-helixtrans-71.2-23.8175.7-112.6127000114.9
282G47Very low50.7Low47 Ų47137.7 Ų137.749%0.48568%0.675SS.*Hα-helixtrans-82.5-24.6176.100000114.3E280E280-G282 PolarHBondContact O-N 3.35Å
283N49.5Very low50.7Low94 Ų94137 Ų13750%0.50368%0.676SS.*Hα-helixtrans-96.1-12.2-178.3-80.6-40.5000113.6R279 E280 R287R279-N283 PolarHBondContact O-ND2 3.33Å; E280-N283 PolarHBondContact O-N 2.9Å; N283-R287 WeakPolarHBondContact O-CD 3.45Å; N283-R287 VanDerWaalsContact O-CG 3.26Å; N283-R287 WeakPolarHBondContact O-CG 3.46Å
284V54.1Low50.5Low78 Ų78134.9 Ų134.947%0.47367%0.67SS.*Hα-helixtrans-85.5-38.2173.2175.90000111E280 E286 R287 E288E280-V284 VanDerWaalsContact O-CG2 3.28Å; E280-V284 WeakPolarHBondContact O-CG2 3.06Å; E280-V284 PolarHBondContact O-N 3.17Å; V284-E286 VanDerWaalsContact C-N 3.33Å; V284-E286 PolarHBondContact O-N 2.92Å; V284-R287 PolarHBondContact O-N 3.36Å; V284-E288 PolarHBondContact O-N 3.48Å; V284-E288 VanDerWaalsContact O-N 3.15Å
285H52.5Low50.2Low133 Ų133132.6 Ų132.662%0.61667%0.667SS**Hα-helixtrans-68-30.3178.1-16164.5000113.2
286E52.6Low49.9Very low130 Ų130131.6 Ų131.661%0.60767%0.667SS**Hα-helixtrans-84.6-11.2176.8-165.3141.889.600113.5V284V284-E286 VanDerWaalsContact C-N 3.33Å; V284-E286 PolarHBondContact O-N 2.92Å
287R53.1Low49.3Very low182 Ų182128 Ų12869%0.68767%0.666SS**Hα-helixtrans-93.5-26.8173.9-73.6-178.6-179.3166.33.1113.1N283 V284 Q291N283-R287 WeakPolarHBondContact O-CD 3.45Å; N283-R287 VanDerWaalsContact O-CG 3.26Å; N283-R287 WeakPolarHBondContact O-CG 3.46Å; V284-R287 PolarHBondContact O-N 3.36Å; R287-Q291 WeakPolarHBondContact O-CB 3.28Å
288E52.8Low49.3Very low118 Ų118129.4 Ų129.455%0.55167%0.673SS**Hα-helixtrans-73.2-37.3170.1-85.7-173.684.900112.8V284 R290V284-E288 PolarHBondContact O-N 3.48Å; V284-E288 VanDerWaalsContact O-N 3.15Å; E288-R290 VanDerWaalsContact C-N 3.34Å; E288-R290 PolarHBondContact O-N 3.24Å
289H52Low49.1Very low135 Ų135129.7 Ų129.763%0.62568%0.675SS**THydrogen-bonded Turntrans-77.4-13.6-179-112.8-83000114.9
290R50.4Low48.8Very low195 Ų195125.5 Ų125.574%0.73668%0.676SS**THydrogen-bonded Turntrans-104.1-6.9178.5-144.5-162.8-78.2171.5-4.2113.8E288E288-R290 VanDerWaalsContact C-N 3.34Å; E288-R290 PolarHBondContact O-N 3.24Å
291Q48.3Very low48.5Very low164 Ų164124.8 Ų124.877%0.76669%0.69SS**SBendtrans-101.9-1.6-178.9-159.9131.747.800113.4R287R287-Q291 WeakPolarHBondContact O-CB 3.28Å
292Q48.4Very low48.3Very low152 Ų152127 Ų12771%0.7170%0.699SS**SBendtrans-99.3-3.2177.4-76.1171.33.700114.5
293D48.5Very low48.3Very low152 Ų152130 Ų13081%0.81371%0.711SS**SBendtrans-107.78.2-177.7-93.8-53.7000114.9
294A43.6Very low47.8Very low78 Ų78130.3 Ų130.365%0.64573%0.726SS**SBendtrans-146.871.1-175.600000112.5
295V46.9Very low47.1Very low124 Ų124129.8 Ų129.875%0.75273%0.73SS**SBendtrans-171.9113150.1136.80000109.3
296N43.9Very low46.4Very low150 Ų150132.1 Ų132.180%0.80274%0.741SS**  trans56.4109151.5-56.7-32.6000117.1
297G37.3Very low45.7Very low70 Ų70133.2 Ų133.272%0.72275%0.751SS**  cis74.6101.54600000109.8
298D44.7Very low45Very low161 Ų161132.6 Ų132.686%0.86176%0.756SS**  trans80.393.8168.7-87.7-67.8000120.5
299A49.4Very low44.4Very low91 Ų91132.3 Ų132.375%0.75276%0.764SS**  70.3148.811500000121.5
300P46.5Very low43.5Very low127 Ų127129.3 Ų129.383%0.82577%0.77SS**  trans-119.4156.2-133.839.8-28.2000115.2
301A43.5Very low43.3Very low105 Ų105125.8 Ų125.887%0.86877%0.772SS**  trans-165.8114.2152.900000112.9
302M48.9Very low42.9Very low181 Ų181124.4 Ų124.489%0.89278%0.775SS**  trans-64.2-173164.7-86.7-169.1-80.500113
303P48.2Very low42.5Very low111 Ų111123.4 Ų123.472%0.72178%0.779SS**  -137.5-162.5-60.142.2-23.6000110.8
304A39Very low41.8Very low100 Ų100119.8 Ų119.883%0.82677%0.77SS**  trans83.1146162.700000114.9
305A39.2Very low41.5Very low67 Ų67124.2 Ų124.255%0.55478%0.778SS**  cis-165.8163.212.700000108.2
306Q36.4Very low40.9Very low182 Ų182124.2 Ų124.285%0.8578%0.777SS**  trans70.2141.8145.3-65.9162.4-10.700115.7
307D39.7Very low40.6Very low152 Ų152125.4 Ų125.481%0.81378%0.776SS**  cis-162.6-179.322.9-157.670.1000109
308Q37.3Very low40.3Very low170 Ų170128.6 Ų128.679%0.79478%0.776SS**  trans-114.8-148.6-144-155.7-161.131.800110.1
309P41Very low40Very low111 Ų111125.2 Ų125.272%0.72177%0.771SS**  -116.2-173.5-122.640.6-21.8000114.7
310G32.4Very low39.5Very low72 Ų72129.7 Ų129.774%0.74278%0.776SS**  trans168.2117.1162.300000118.5
311P46.3Very low39.4Very low121 Ų121128.6 Ų128.679%0.78677%0.769SS**  trans-106.4157.8172.337.8-27.9000113.6
312T40.8Very low39.4Very low136 Ų136130.1 Ų130.183%0.83477%0.767SS**  trans-160.1112.7174.4-3.50000108.1
313V38.8Very low39.2Very low131 Ų131127.1 Ų127.179%0.79476%0.759SS**  93.712861.5170.50000113.4
314A34.3Very low38.6Very low75 Ų75129.1 Ų129.162%0.6276%0.763SS**  trans70.5151.7153.500000118.3
315E36.8Very low38.6Very low172 Ų172128.1 Ų128.180%0.80476%0.755SS**  cis-168.9124.918.5-134.9162.8113.600107.6
316V34.5Very low38.4Very low123 Ų123130.9 Ų130.975%0.74577%0.766SS**  47.3136.1109.9-147.10000119.3
317F36.8Very low38.2Very low175 Ų175127 Ų12777%0.76876%0.759SS**  trans111100.9146.4-102.5-88000120.9
318N32.2Very low37.9Very low137 Ų137128.6 Ų128.673%0.73376%0.761SS**  trans31.4135.6134.8-60.2-15.4000123.4
319A38.7Very low37.8Very low90 Ų90125.5 Ų125.574%0.74476%0.756SS**  154101.412400000109.5
320E39.1Very low37.3Very low186 Ų186127.4 Ų127.487%0.86976%0.758SS**  100.815989.5-106.1-154.6112.200113.1
321P44.5Very low37.4Very low103 Ų103128.7 Ų128.767%0.66976%0.756SS**  -124.5-176.8-116.139.1-22000114
322V42Very low36.6Very low137 Ų137128.9 Ų128.983%0.8376%0.755SS**  trans-177.7114.5144.8138.70000113.5
323V44.6Very low36.5Very low118 Ų118128.9 Ų128.972%0.71575%0.754SS**  trans37.4120.5146.6-85.70000123.4
324N36.7Very low36.2Very low153 Ų153127.4 Ų127.482%0.81876%0.756SS**  -172101.983.6-113.4-10.6000109.8
325A38.5Very low36.5Very low80 Ų80127.5 Ų127.566%0.66176%0.764SS**  83.687.198.800000113.8
326T34.5Very low36.6Very low125 Ų125127.4 Ų127.477%0.76777%0.769SS**  82.7102.579.7-60.60000111.7
327S33.9Very low37Very low101 Ų101126.3 Ų126.371%0.70677%0.765SS**  68.3117.264.5-44.10000114.8
328Q33.1Very low37.1Very low185 Ų185123.7 Ų123.786%0.86477%0.765SS**  154.1151.9111.5-79.3-165.316.700115.8
329P34.9Very low37.3Very low104 Ų104124.6 Ų124.668%0.67577%0.77SS**  trans-108.3175.2179.743.5-34.3000114.7
330I30.8Very low37.4Very low152 Ų152127.6 Ų127.678%0.77977%0.774SS**  trans88.5130.8156.1-67.5167.5000120.7
331S34Very low37.2Very low99 Ų99126 Ų12669%0.69277%0.766SS**  trans98.7109.3148.7-81.10000122.5
332T29.8Very low37.1Very low125 Ų125127.3 Ų127.377%0.76777%0.773SS**  61.2116.4123.9-35.30000120
333V37.4Very low36.8Very low135 Ų135127.3 Ų127.382%0.81877%0.768SS**  166.9141.5119.3157.60000110.6
334A34.3Very low36.4Very low101 Ų101126.7 Ų126.784%0.83577%0.769SS**  trans-47.6148.3-174.800000118.4
335G39.8Very low36.6Very low77 Ų77124.7 Ų124.779%0.79476%0.764SS**  trans176.1109.6162.500000112
336N39.1Very low36.8Very low169 Ų169127.3 Ų127.390%0.90477%0.772SS**  trans-66.3167.9-177.4-109.4-5000114.4
337P42.8Very low37.2Very low100 Ų100127.3 Ų127.365%0.64977%0.772SS**  trans-96.3174-149.239.3-37.4000114.9
338P39.5Very low37.6Very low120 Ų120131 Ų13178%0.77978%0.778SS**  trans-128.9118.3143.233.6-18.8000112.3N340P338-N340 PolarHBondContact O-N 3.33Å
339N35.5Very low38.3Very low156 Ų156130.9 Ų130.983%0.83478%0.777SS**  trans-1.9113.4141.3-44.2-17.7000115.3
340N40.2Very low38.9Very low154 Ų154134.2 Ų134.282%0.82478%0.784SS**  trans-158.6130.3133.3-151.13.8000111.6P338P338-N340 PolarHBondContact O-N 3.33Å
341E35Very low40.3Very low152 Ų152130.9 Ų130.971%0.7177%0.772SS**  trans-67.2138178.4-62.6162.875.600110.9
342T42.6Very low42.2Very low131 Ų131129.6 Ų129.680%0.80476%0.763SS**  trans-15094144.2-59.50000108.5S344T342-S344 PolarHBondContact O-N 3.44Å
343N35.4Very low44.3Very low137 Ų137126.5 Ų126.573%0.73376%0.756SS**  trans-57.1125.5167.5-67.3-66.9000110.5
344S35.7Very low45.6Very low105 Ų105128 Ų12873%0.73475%0.747SS**  trans-119.4105.6159.3-72.80000108.2T342 T346T342-S344 PolarHBondContact O-N 3.44Å; S344-T346 PolarHBondContact O-N 2.8Å
345P42.9Very low47.5Very low110 Ų110127.3 Ų127.371%0.71473%0.732SS**  trans-74.4118.317429.8-29.4000108.2V347P345-V347 PolarHBondContact O-N 3.37Å
346T42.1Very low49.3Very low135 Ų135126.9 Ų126.983%0.82871%0.714SS**  trans-61.8101.7163.8-45.80000107.3S344 Q348S344-T346 PolarHBondContact O-N 2.8Å; T346-Q348 VanDerWaalsContact C-N 3.33Å; T346-Q348 PolarHBondContact O-N 2.96Å
347V42.5Very low51Low126 Ų126124 Ų12476%0.76469%0.693SS**  trans-64.796.1173.7176.80000107.5P345 Q349P345-V347 PolarHBondContact O-N 3.37Å; V347-Q349 PolarHBondContact O-N 2.8Å; V347-Q349 VanDerWaalsContact O-N 3.08Å
348Q41.8Very low52.7Low179 Ų179126.1 Ų126.184%0.83669%0.689SS**  trans-58.1106.8162.5-84.1-104.84.100107.5T346 Q350T346-Q348 VanDerWaalsContact C-N 3.33Å; T346-Q348 PolarHBondContact O-N 2.96Å; Q348-Q350 PolarHBondContact O-N 3.22Å
349Q47.7Very low54.5Low181 Ų181123.3 Ų123.385%0.84667%0.672SS**  trans-69.598.8-177.1-163.7162.813.700109.1V347V347-Q349 PolarHBondContact O-N 2.8Å; V347-Q349 VanDerWaalsContact O-N 3.08Å
350Q47.8Very low56.5Low175 Ų175119.8 Ų119.882%0.81866%0.656SS**PPolyproline II helixtrans-52.7127.5178.9-171.8167.3-25.700110.1Q348 S352Q348-Q350 PolarHBondContact O-N 3.22Å; Q350-S352 PolarHBondContact O-N 2.94Å
351P61.2Low58.3Low81 Ų81114.7 Ų114.753%0.52663%0.632SS.*PPolyproline II helixtrans-59.6131.3-179.423.4-32.2000109.4G353 V356P351-G353 PolarHBondContact O-N 3.01Å; P351-V356 HydrophobicContact CB-CG2 3.99Å; P351-V356 HydrophobicContact CG-CG2 3.84Å
352S73.9Confident60.2Low73 Ų73116.7 Ų116.751%0.5163%0.633SS.*PPolyproline II helixtrans-48134172.8170.90000109.4Q350 W354 T355 V356Q350-S352 PolarHBondContact O-N 2.94Å; S352-W354 PolarHBondContact O-N 3.44Å; S352-W354 PolarHBondContact OG-N 2.79Å; S352-T355 WeakPolarHBondContact O-CA 3.23Å; S352-T355 WeakPolarHBondContact O-CB 3.47Å; S352-T355 PolarHBondContact O-N 3.49Å; S352-V356 PolarHBondContact O-N 3.16Å
353G73.5Confident62.1Low59 Ų59114.1 Ų114.161%0.60861%0.614SS**Hα-helixtrans-54-24.3-179.900000113P351 F357P351-G353 PolarHBondContact O-N 3.01Å; G353-F357 WeakPolarHBondContact O-CB 3.44Å; G353-F357 PolarHBondContact O-N 3.33Å
354W64.9Low64Low168 Ų168114.7 Ų114.764%0.63661%0.61SS**Hα-helixtrans-66.9-43.8171.7-160.6-114000112.7S352 F357 W358S352-W354 PolarHBondContact O-N 3.44Å; S352-W354 PolarHBondContact OG-N 2.79Å; W354-F357 PolarHBondContact O-N 2.89Å; W354-W358 AromaticContact CD1-CD1 3.5Å; W354-W358 AromaticContact CD1-NE1 3.5Å; W354-W358 AromaticContact CD2-NE1 3.73Å; W354-W358 AromaticContact CE2-CD1 3.8Å; W354-W358 AromaticContact CE2-NE1 3.04Å; W354-W358 AromaticContact CG-CD1 3.92Å; W354-W358 AromaticContact CG-NE1 3.98Å; W354-W358 HydrophobicContact CZ2-CZ2 4.12Å; W354-W358 AromaticContact CZ2-NE1 3.39Å; W354-W358 AromaticContact NE1-CD1 3.45Å; W354-W358 AromaticContact NE1-NE1 2.91Å; W354-W358 PolarHBondContact O-N 3.35Å
355T74.6Confident65.8Low86 Ų86113.3 Ų113.353%0.52860%0.597SS.*Hα-helixtrans-64.6-40.9177-50.90000111.2S352 S359S352-T355 WeakPolarHBondContact O-CA 3.23Å; S352-T355 WeakPolarHBondContact O-CB 3.47Å; S352-T355 PolarHBondContact O-N 3.49Å; T355-S359 VanDerWaalsContact O-CB 3.28Å; T355-S359 WeakPolarHBondContact O-CB 3.39Å; T355-S359 PolarHBondContact O-N 3.25Å
356V77Confident67Low67 Ų67110.7 Ų110.741%0.40658%0.582SS.*Hα-helixtrans-63-46.7174.2-178.80000110.2P351 S352 W358 S359 T360P351-V356 HydrophobicContact CB-CG2 3.99Å; P351-V356 HydrophobicContact CG-CG2 3.84Å; S352-V356 PolarHBondContact O-N 3.16Å; V356-W358 PolarHBondContact O-N 3.31Å; V356-S359 PolarHBondContact O-N 3.41Å; V356-T360 WeakPolarHBondContact O-CB 2.95Å; V356-T360 PolarHBondContact O-N 3.37Å; V356-T360 PolarHBondContact O-OG1 3.46Å
357F75.6Confident68.3Low108 Ų108107.3 Ų107.347%0.47456%0.563SS.*Hα-helixtrans-58.1-47.5177.8175.7-97.5000112.7G353 W354 T360 C361G353-F357 WeakPolarHBondContact O-CB 3.44Å; G353-F357 PolarHBondContact O-N 3.33Å; W354-F357 PolarHBondContact O-N 2.89Å; F357-T360 PolarHBondContact O-N 3.03Å; F357-C361 VanDerWaalsContact CZ-SG 3.56Å; F357-C361 WeakPolarHBondContact O-CB 3.34Å; F357-C361 PolarHBondContact O-N 3.31Å; F357-C361 PolarHBondContact O-SG 3.47Å
358W78.1Confident69.5Low145 Ų145103.7 Ų103.755%0.54954%0.537SS..Hα-helixtrans-66.5-38.2177.7-78.1107.7000112.7W354 V356 R362W354-W358 AromaticContact CD1-CD1 3.5Å; W354-W358 AromaticContact CD1-NE1 3.5Å; W354-W358 AromaticContact CD2-NE1 3.73Å; W354-W358 AromaticContact CE2-CD1 3.8Å; W354-W358 AromaticContact CE2-NE1 3.04Å; W354-W358 AromaticContact CG-CD1 3.92Å; W354-W358 AromaticContact CG-NE1 3.98Å; W354-W358 HydrophobicContact CZ2-CZ2 4.12Å; W354-W358 AromaticContact CZ2-NE1 3.39Å; W354-W358 AromaticContact NE1-CD1 3.45Å; W354-W358 AromaticContact NE1-NE1 2.91Å; W354-W358 PolarHBondContact O-N 3.35Å; V356-W358 PolarHBondContact O-N 3.31Å; W358-R362 VanDerWaalsContact O-CB 3.29Å; W358-R362 WeakPolarHBondContact O-CB 3.24Å; W358-R362 PolarHBondContact O-N 2.86Å
359S76.4Confident70.4Confident62 Ų62100.4 Ų100.443%0.43452%0.52SS..Hα-helixtrans-63.8-48.2175.3-1670000111T355 V356 C361 R362 I363T355-S359 VanDerWaalsContact O-CB 3.28Å; T355-S359 WeakPolarHBondContact O-CB 3.39Å; T355-S359 PolarHBondContact O-N 3.25Å; V356-S359 PolarHBondContact O-N 3.41Å; S359-C361 PolarHBondContact O-N 2.83Å; S359-R362 PolarHBondContact O-N 3.35Å; S359-I363 WeakPolarHBondContact O-CB 3.34Å; S359-I363 WeakPolarHBondContact O-CD1 3.37Å; S359-I363 WeakPolarHBondContact O-CG1 3.33Å; S359-I363 PolarHBondContact O-N 3.49Å
360T77.8Confident71.2Confident82 Ų8294.4 Ų94.450%0.50350%0.496SS..Hα-helixtrans-63-42.1177.3-560000111.9V356 F357 I363 F364V356-T360 WeakPolarHBondContact O-CB 2.95Å; V356-T360 PolarHBondContact O-N 3.37Å; V356-T360 PolarHBondContact O-OG1 3.46Å; F357-T360 PolarHBondContact O-N 3.03Å; T360-I363 PolarHBondContact O-N 2.83Å; T360-F364 WeakPolarHBondContact O-CB 3.44Å; T360-F364 PolarHBondContact O-N 3.29Å
361C77.7Confident71.8Confident47 Ų4789.7 Ų89.732%0.31848%0.483SS..Hα-helixtrans-62.1-44.6174-82.10000111.5F357 S359 I363 F364 V365F357-C361 VanDerWaalsContact CZ-SG 3.56Å; F357-C361 WeakPolarHBondContact O-CB 3.34Å; F357-C361 PolarHBondContact O-N 3.31Å; F357-C361 PolarHBondContact O-SG 3.47Å; S359-C361 PolarHBondContact O-N 2.83Å; C361-I363 VanDerWaalsContact C-N 3.33Å; C361-I363 PolarHBondContact O-N 3.26Å; C361-F364 PolarHBondContact O-N 2.81Å; C361-V365 WeakPolarHBondContact O-CB 3.28Å; C361-V365 WeakPolarHBondContact O-CG2 3.45Å; C361-V365 PolarHBondContact O-N 3.45Å
362R75.9Confident71.5Confident193 Ų19387.2 Ų87.273%0.72847%0.465SS*.Hα-helixtrans-61.8-42.2177-174.2-174.8177.5112.13.1111.3W358 S359 S366W358-R362 VanDerWaalsContact O-CB 3.29Å; W358-R362 WeakPolarHBondContact O-CB 3.24Å; W358-R362 PolarHBondContact O-N 2.86Å; S359-R362 PolarHBondContact O-N 3.35Å; R362-S366 VanDerWaalsContact O-CB 3.27Å; R362-S366 WeakPolarHBondContact O-CB 3.3Å; R362-S366 PolarHBondContact O-N 3.25Å; R362-S366 PolarHBondContact O-OG 3.49Å; R362-S366 VanDerWaalsContact O-OG 3.05Å
363I81.1Confident70.9Confident77 Ų7789.2 Ų89.240%0.39547%0.469SS..Hα-helixtrans-65.8-45.1176.3-67160.4000110.3S359 T360 C361 V365 S366 S367S359-I363 WeakPolarHBondContact O-CB 3.34Å; S359-I363 WeakPolarHBondContact O-CD1 3.37Å; S359-I363 WeakPolarHBondContact O-CG1 3.33Å; S359-I363 PolarHBondContact O-N 3.49Å; T360-I363 PolarHBondContact O-N 2.83Å; C361-I363 VanDerWaalsContact C-N 3.33Å; C361-I363 PolarHBondContact O-N 3.26Å; I363-V365 PolarHBondContact O-N 2.88Å; I363-S366 WeakPolarHBondContact CA-OG 3.22Å; I363-S366 PolarHBondContact O-N 2.87Å; I363-S366 PolarHBondContact O-OG 2.82Å; I363-S366 VanDerWaalsContact O-OG 3.09Å; I363-S367 WeakPolarHBondContact O-CB 3.21Å; I363-S367 PolarHBondContact O-N 3.13Å; I363-S367 PolarHBondContact O-OG 3.47Å
364F76.9Confident69.8Low149 Ų14991.7 Ų91.765%0.65448%0.475SS*.Hα-helixtrans-63.4-44.3179.3-174.3-95.2000111.5T360 C361 F368T360-F364 WeakPolarHBondContact O-CB 3.44Å; T360-F364 PolarHBondContact O-N 3.29Å; C361-F364 PolarHBondContact O-N 2.81Å; F364-F368 VanDerWaalsContact O-CB 3.23Å; F364-F368 WeakPolarHBondContact O-CB 2.89Å; F364-F368 PolarHBondContact O-N 2.88Å
365V72.4Confident69.2Low76 Ų7692.4 Ų92.446%0.46149%0.485SS..Hα-helixtrans-62.9-51.2175.5172.40000109.7C361 I363 S367 F368 F369C361-V365 WeakPolarHBondContact O-CB 3.28Å; C361-V365 WeakPolarHBondContact O-CG2 3.45Å; C361-V365 PolarHBondContact O-N 3.45Å; I363-V365 PolarHBondContact O-N 2.88Å; V365-S367 PolarHBondContact O-N 3.14Å; V365-F368 WeakPolarHBondContact O-CB 3.44Å; V365-F368 PolarHBondContact O-N 3.43Å; V365-F369 HydrophobicContact CG1-CD2 3.68Å; V365-F369 HydrophobicContact CG1-CE2 3.66Å; V365-F369 WeakPolarHBondContact O-CD2 3.33Å; V365-F369 PolarHBondContact O-N 3.48Å
366S69Low68Low56 Ų5697.3 Ų97.339%0.39249%0.493SS..Hα-helixtrans-64.4-40-179.868.70000112.5R362 I363 F369 V370R362-S366 VanDerWaalsContact O-CB 3.27Å; R362-S366 WeakPolarHBondContact O-CB 3.3Å; R362-S366 PolarHBondContact O-N 3.25Å; R362-S366 PolarHBondContact O-OG 3.49Å; R362-S366 VanDerWaalsContact O-OG 3.05Å; I363-S366 WeakPolarHBondContact CA-OG 3.22Å; I363-S366 PolarHBondContact O-N 2.87Å; I363-S366 PolarHBondContact O-OG 2.82Å; I363-S366 VanDerWaalsContact O-OG 3.09Å; S366-F369 CarbonylContact O-C 3.55Å; S366-F369 PolarHBondContact O-N 2.83Å; S366-V370 VanDerWaalsContact O-CB 3.28Å; S366-V370 WeakPolarHBondContact O-CB 2.97Å; S366-V370 WeakPolarHBondContact O-CG2 3.42Å; S366-V370 PolarHBondContact O-N 3.11Å
367S69.2Low66.4Low64 Ų64102.9 Ų102.945%0.44852%0.515SS..Hα-helixtrans-65-37.7173.8-69.50000112I363 V365 V370 S371I363-S367 WeakPolarHBondContact O-CB 3.21Å; I363-S367 PolarHBondContact O-N 3.13Å; I363-S367 PolarHBondContact O-OG 3.47Å; V365-S367 PolarHBondContact O-N 3.14Å; S367-V370 PolarHBondContact O-N 3.44Å; S367-S371 WeakPolarHBondContact O-CB 3.29Å; S367-S371 PolarHBondContact O-N 3Å
368F66.4Low65.2Low49 Ų49104 Ų10422%0.21553%0.531CS..Hα-helixtrans-61.8-45.5172.7-176.4-90.8000110.6R222 L226 F364 V365 S371 L372R222-F368 HydrophobicContact CG-CZ 4.14Å; L226-F368 HydrophobicContact CD1-CD1 4.46Å; L226-F368 HydrophobicContact CD1-CE1 3.83Å; L226-F368 HydrophobicContact CD1-CZ 3.93Å; F364-F368 VanDerWaalsContact O-CB 3.23Å; F364-F368 WeakPolarHBondContact O-CB 2.89Å; F364-F368 PolarHBondContact O-N 2.88Å; V365-F368 WeakPolarHBondContact O-CB 3.44Å; V365-F368 PolarHBondContact O-N 3.43Å; F368-S371 PolarHBondContact O-N 3.45Å; F368-L372 WeakPolarHBondContact O-CG 3.2Å; F368-L372 PolarHBondContact O-N 3.32Å
369F61.3Low63.8Low110 Ų110101.4 Ų101.448%0.48254%0.54SS..Hα-helixtrans-71.9-32.5177.4-77.9-77.2000113.5V365 S366 L372V365-F369 HydrophobicContact CG1-CD2 3.68Å; V365-F369 HydrophobicContact CG1-CE2 3.66Å; V365-F369 WeakPolarHBondContact O-CD2 3.33Å; V365-F369 PolarHBondContact O-N 3.48Å; S366-F369 CarbonylContact O-C 3.55Å; S366-F369 PolarHBondContact O-N 2.83Å; F369-L372 HydrophobicContact CB-CD1 4.45Å; F369-L372 HydrophobicContact CD1-CD1 3.45Å; F369-L372 VanDerWaalsContact CD1-CD1 3.45Å; F369-L372 HydrophobicContact CE1-CD1 3.95Å; F369-L372 HydrophobicContact CG-CD1 4.21Å; F369-L372 VanDerWaalsContact O-CB 3.22Å; F369-L372 WeakPolarHBondContact O-CB 3.4Å; F369-L372 PolarHBondContact O-N 2.9Å; F369-L372 VanDerWaalsContact O-N 3.1Å
370V64.3Low62.7Low56 Ų56104.5 Ų104.534%0.33956%0.556SS.*Hα-helixtrans-69.4-36.8173.2162.60000110.6Y145 S366 S367 L372 L373Y145-V370 HydrophobicContact CE2-CG1 4.37Å; Y145-V370 WeakPolarHBondContact OH-CG1 3.27Å; Y145-V370 WeakPolarHBondContact OH-CG2 3.14Å; S366-V370 VanDerWaalsContact O-CB 3.28Å; S366-V370 WeakPolarHBondContact O-CB 2.97Å; S366-V370 WeakPolarHBondContact O-CG2 3.42Å; S366-V370 PolarHBondContact O-N 3.11Å; S367-V370 PolarHBondContact O-N 3.44Å; V370-L372 PolarHBondContact O-N 3.28Å; V370-L373 WeakPolarHBondContact O-CB 3.5Å; V370-L373 VanDerWaalsContact O-CD1 3.29Å; V370-L373 WeakPolarHBondContact O-CD1 3.32Å; V370-L373 PolarHBondContact O-N 3.45Å
371S61.7Low61.4Low76 Ų76111.4 Ų111.453%0.53157%0.573SS.*THydrogen-bonded Turntrans-66.7-11.4170.7177.40000112.9S367 F368 L373S367-S371 WeakPolarHBondContact O-CB 3.29Å; S367-S371 PolarHBondContact O-N 3Å; F368-S371 PolarHBondContact O-N 3.45Å; S371-L373 VanDerWaalsContact C-N 3.26Å
372L54.6Low60Low29 Ų29117.7 Ų117.715%0.15260%0.597CS.*THydrogen-bonded Turntrans-79.6-7.2169.6-59.1170.6000112.4F368 F369 V370F368-L372 WeakPolarHBondContact O-CG 3.2Å; F368-L372 PolarHBondContact O-N 3.32Å; F369-L372 HydrophobicContact CB-CD1 4.45Å; F369-L372 HydrophobicContact CD1-CD1 3.45Å; F369-L372 VanDerWaalsContact CD1-CD1 3.45Å; F369-L372 HydrophobicContact CE1-CD1 3.95Å; F369-L372 HydrophobicContact CG-CD1 4.21Å; F369-L372 VanDerWaalsContact O-CB 3.22Å; F369-L372 WeakPolarHBondContact O-CB 3.4Å; F369-L372 PolarHBondContact O-N 2.9Å; F369-L372 VanDerWaalsContact O-N 3.1Å; V370-L372 PolarHBondContact O-N 3.28Å
373L61.3Low59.2Low115 Ų115114.7 Ų114.760%0.60260%0.6SS**SBendtrans-84.6122.2167.7-67.4107000109.6V370 S371 H375V370-L373 WeakPolarHBondContact O-CB 3.5Å; V370-L373 VanDerWaalsContact O-CD1 3.29Å; V370-L373 WeakPolarHBondContact O-CD1 3.32Å; V370-L373 PolarHBondContact O-N 3.45Å; S371-L373 VanDerWaalsContact C-N 3.26Å; L373-H375 PolarHBondContact O-N 3.39Å
374P50.6Low58Low111 Ų111121.6 Ų121.672%0.72164%0.638SS**  trans-64124.3170.924.6-30.3000109.7R376P374-R376 PolarHBondContact O-N 2.85Å
375H52.5Low57.1Low183 Ų183120.3 Ų120.385%0.84764%0.637SS**  trans-61.9103.5163.8-92.634.9000108.2L373 Q377L373-H375 PolarHBondContact O-N 3.39Å; H375-Q377 PolarHBondContact O-N 3.08Å
376R47.9Very low56.3Low189 Ų189122.6 Ų122.671%0.71365%0.646SS**  trans-62.6105.7169.3-124.4-171.1-172.1-137.8-2.9107.2D207 P374 V378D207-R376 VanDerWaalsContact CG-NH2 3.28Å; D207-R376 IonicContact OD1-NH2 2.81Å; D207-R376 IonicContact OD2-CZ 3.18Å; D207-R376 IonicContact OD2-NH1 2.65Å; D207-R376 PolarHBondContact OD2-NH1 3.08Å; D207-R376 IonicContact OD2-NH2 3.74Å; D207-R376 PolarHBondContact OD2-NH2 2.99Å; P374-R376 PolarHBondContact O-N 2.85Å; R376-V378 PolarHBondContact O-N 2.99Å
377Q44.4Very low55.5Low183 Ų183126.3 Ų126.386%0.85566%0.661SS**  trans-69.8114.3167.5-63.6-151.9-37.100107.6H375 A379H375-Q377 PolarHBondContact O-N 3.08Å; Q377-A379 PolarHBondContact O-N 3.02Å
378V49.3Very low54.7Low133 Ų133129.9 Ų129.981%0.80667%0.673SS**  trans-67.3105.6170.7176.20000106.9R376 V380R376-V378 PolarHBondContact O-N 2.99Å; V378-V380 PolarHBondContact O-N 3.42Å; V378-V380 VanDerWaalsContact O-N 3.11Å
379A49.5Very low54Low89 Ų89135 Ų13574%0.73670%0.702SS**  trans-66.1105.6169.200000108.4Q377 R381Q377-A379 PolarHBondContact O-N 3.02Å; A379-R381 PolarHBondContact O-N 3.09Å
380V52.9Low53.5Low127 Ų127136.7 Ų136.777%0.7772%0.716SS**  trans-68.399.7163.8177.90000106.5V378 Q382V378-V380 PolarHBondContact O-N 3.42Å; V378-V380 VanDerWaalsContact O-N 3.11Å; V380-Q382 PolarHBondContact O-N 3.43Å
381R49.7Very low52.8Low228 Ų228142.4 Ų142.486%0.8674%0.743SS**  trans-67109.7163.5-94.1-170177.51601.5107.6A379 V383A379-R381 PolarHBondContact O-N 3.09Å; R381-V383 PolarHBondContact O-N 2.84Å
382Q49.1Very low52.1Low178 Ų178147.5 Ų147.583%0.83276%0.76SS**  trans-60.9127.8154.2-78.6-159.7-85.600108.2V380V380-Q382 PolarHBondContact O-N 3.43Å
383V60.1Low51.9Low131 Ų131157.4 Ų157.479%0.79481%0.81SS**  trans-108.4112.9163.8177.40000105.1R381R381-V383 PolarHBondContact O-N 2.84Å
384D55.2Low51Low222 Ų222161.3 Ų161.3100%1.18783%0.829SS**  trans-67.60158.8-92.1-59.8000110.8

Retrieved 384 of 384 residues in 79 ms (Link to these results)