A0A096NSV5_PAPAN Loading...

Dihydropyrimidinase-related protein 4

Necessary for signaling by class 3 semaphorins and subsequent remodeling of the cytoskeleton. Plays a role in axon guidance, neuronal growth cone collapse and cell migration.

AlphaFold DB , UniProt , Accession A0A096NSV5, Species PAPAN (Papio anubis, Olive baboon), Gene DPYSL4, Length 572 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
1M35.3Very low33.3Very low241 Ų241165.2 Ų165.2100%1.18785%0.849SS**  0126.80-61.2173.8-169.100107.4
2S30.3Very low33.5Very low114 Ų114164.3 Ų164.380%0.79784%0.844SS**  trans-129.8112.8177.4-177.20000108.7Q4S2-Q4 PolarHBondContact O-N 2.73Å
3F29.3Very low34.3Very low206 Ų206160.2 Ų160.290%0.90483%0.832SS**  trans-84.4102.5177.4-99.7-95.2000109.3G5F3-G5 PolarHBondContact O-N 2.93Å
4Q34.3Very low35.9Very low183 Ų183150.9 Ų150.986%0.85579%0.788SS**  trans-74.7102.2166.1-79.2-176.4-19.100109.6S2 K6S2-Q4 PolarHBondContact O-N 2.73Å; Q4-K6 PolarHBondContact O-N 3.21Å; Q4-K6 VanDerWaalsContact O-N 3.11Å
5G31.7Very low38.8Very low72 Ų72144.6 Ų144.674%0.74276%0.755SS**  trans-65.6106.1169.500000110.9F3 K7F3-G5 PolarHBondContact O-N 2.93Å; G5-K7 PolarHBondContact O-N 3.33Å
6K33.4Very low42.2Very low206 Ų206141.6 Ų141.690%0.89673%0.731SS**  trans-62.3106.7166.7-75.5-179.3176.61770108.5Q4 S8Q4-K6 PolarHBondContact O-N 3.21Å; Q4-K6 VanDerWaalsContact O-N 3.11Å; K6-S8 PolarHBondContact O-N 3.02Å; K6-S8 VanDerWaalsContact O-N 3.11Å
7K34.6Very low45.4Very low195 Ų195133.9 Ų133.985%0.84869%0.691SS**  trans-62.5112.3165.9-76.5-175.1175.7-178.70108.3G5 I9G5-K7 PolarHBondContact O-N 3.33Å; K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 2.7Å
8S34Very low48.2Very low114 Ų114126.5 Ų126.580%0.79765%0.653SS**  trans-69.788.9167.650.50000108.7K6K6-S8 PolarHBondContact O-N 3.02Å; K6-S8 VanDerWaalsContact O-N 3.11Å
9I36.6Very low50.9Low148 Ų148119.9 Ų119.976%0.75962%0.619SS**  trans-59.2124.6162.8-58.7171.9000105.8K7 R11K7-I9 VanDerWaalsContact C-N 3.29Å; K7-I9 PolarHBondContact O-N 2.7Å; I9-R11 PolarHBondContact O-N 3Å; I9-R11 VanDerWaalsContact O-N 3.12Å
10P32.5Very low53.2Low104 Ų104118.8 Ų118.868%0.67561%0.607SS**  trans-59.1122.1172.7-15.227.4000107.5I12P10-I12 PolarHBondContact O-N 2.85Å
11R34.3Very low55.1Low234 Ų234113.8 Ų113.888%0.88359%0.585SS**  trans-65.496.1163.1-87.3-175.9170.5179.8-4.1106.3I9 T13I9-R11 PolarHBondContact O-N 3Å; I9-R11 VanDerWaalsContact O-N 3.12Å; R11-T13 HydrophobicContact CB-CG2 4.48Å; R11-T13 PolarHBondContact O-N 2.66Å
12I35.2Very low58Low154 Ų154102.3 Ų102.379%0.7953%0.528SS*.  trans-61.298.2153.7-58174.7000104.1P10 S14P10-I12 PolarHBondContact O-N 2.85Å; I12-S14 PolarHBondContact O-N 2.75Å
13T44.7Very low61.3Low111 Ų11199.4 Ų99.468%0.68150%0.499SS*.  trans-70.384.1170.146.30000106.6R11 D15R11-T13 HydrophobicContact CB-CG2 4.48Å; R11-T13 PolarHBondContact O-N 2.66Å; T13-D15 PolarHBondContact O-N 3.47Å
14S56.1Low64.6Low31 Ų3189.6 Ų89.622%0.21746%0.456CS..  trans-54.6127.2167.8169.90000107.6I12 R16 D39I12-S14 PolarHBondContact O-N 2.75Å; S14-R16 PolarHBondContact O-N 3.25Å; S14-R16 WeakPolarHBondContact OG-CG 3.28Å; S14-D39 WeakPolarHBondContact CB-OD1 3.49Å; S14-D39 PolarHBondContact OG-OD1 2.93Å
15D79.6Confident67.7Low56 Ų5680.9 Ų80.930%0.29942%0.416SS..  trans-70.184.9-179.6-69.5-54.3000108.4T13 D39 R451T13-D15 PolarHBondContact O-N 3.47Å; D15-D39 PolarHBondContact O-N 2.93Å; D15-R451 HydrophobicContact CB-CG 4.25Å; D15-R451 IonicContact OD1-NE 3.75Å; D15-R451 IonicContact OD2-CZ 3.64Å; D15-R451 VanDerWaalsContact OD2-CZ 3.25Å; D15-R451 IonicContact OD2-NE 3.7Å; D15-R451 PolarHBondContact OD2-NE 3.13Å; D15-R451 IonicContact OD2-NH2 2.75Å; D15-R451 PolarHBondContact OD2-NH2 3.47Å
16R93.5Very high70.8Confident96 Ų9677.6 Ų77.636%0.36238%0.381SS..  trans-107.1120.4-176.9-68.4177.5177.3172.9-4.5110.8S14 V37 E38 I55 K56S14-R16 PolarHBondContact O-N 3.25Å; S14-R16 WeakPolarHBondContact OG-CG 3.28Å; R16-V37 VanDerWaalsContact CA-O 3.31Å; R16-V37 WeakPolarHBondContact CA-O 3.47Å; R16-E38 HydrophobicContact CG-CB 4.14Å; R16-E38 HydrophobicContact CG-CG 3.99Å; R16-E38 IonicContact CZ-OE1 3.01Å; R16-E38 IonicContact NE-OE1 3.65Å; R16-E38 PolarHBondContact NE-OE1 2.97Å; R16-E38 IonicContact NH2-OE1 3.23Å; R16-E38 PolarHBondContact NH2-OE1 2.89Å; R16-I55 HydrophobicContact CB-CB 3.99Å; R16-I55 HydrophobicContact CB-CG2 3.53Å; R16-I55 HydrophobicContact CG-CG2 4.33Å; R16-K56 PolarHBondContact O-N 3.49Å
17L95.9Very high73.9Confident11 Ų1169.4 Ų69.46%0.05835%0.347CS..EExtended strand (participates in β ladder)trans-123.7148.5176.9-52.1177.8000110.4V37 K56 I58 I447 G450 V452L17-V37 HydrophobicContact CB-CB 4.18Å; L17-V37 PolarHBondContact N-O 2.97Å; L17-V37 PolarHBondContact O-N 3Å; L17-K56 WeakPolarHBondContact CA-O 3.47Å; L17-K56 HydrophobicContact CD2-CB 3.82Å; L17-K56 HydrophobicContact CD2-CD 4.1Å; L17-K56 HydrophobicContact CD2-CG 4.16Å; L17-I58 HydrophobicContact CD1-CD1 4.2Å; L17-I447 HydrophobicContact CD1-CD1 3.97Å; L17-I447 HydrophobicContact CD1-CG1 4.25Å; L17-I447 HydrophobicContact CD1-CG2 3.79Å; L17-G450 WeakPolarHBondContact CD1-O 3.47Å; L17-V452 HydrophobicContact CD1-CG2 3.87Å; L17-V452 HydrophobicContact CD2-CG2 4.18Å
18L97.2Very high77Confident1 Ų164.6 Ų64.61%0.00533%0.331CS..EExtended strand (participates in β ladder)trans-124.4118.3165.4179.772.9000109R20 D34 V35 H36 L49 V51 I55 K56 T57 I58L18-R20 HydrophobicContact CD2-CG 3.72Å; L18-R20 HydrophobicContact CG-CG 3.87Å; L18-D34 HydrophobicContact CD1-CB 4.33Å; L18-V35 WeakPolarHBondContact CA-O 3.3Å; L18-H36 HydrophobicContact CD1-CB 4.26Å; L18-L49 HydrophobicContact CD1-CB 4.12Å; L18-L49 HydrophobicContact CD1-CD1 4.36Å; L18-V51 HydrophobicContact CB-CG2 4.34Å; L18-V51 HydrophobicContact CD1-CG1 4.34Å; L18-V51 HydrophobicContact CD1-CG2 4.01Å; L18-V51 HydrophobicContact CD2-CG2 3.54Å; L18-V51 HydrophobicContact CG-CG2 4.17Å; L18-I55 HydrophobicContact CB-CD1 3.76Å; L18-K56 PolarHBondContact N-O 2.81Å; L18-T57 HydrophobicContact CD2-CG2 4.33Å; L18-T57 CarbonylContact O-C 3.49Å; L18-T57 VanDerWaalsContact O-CA 3.29Å; L18-T57 WeakPolarHBondContact O-CA 3.27Å; L18-I58 PolarHBondContact O-N 3.37Å
19I97.9Very high80Confident1 Ų164 Ų641%0.00532%0.315CS..EExtended strand (participates in β ladder)trans-94.3125.7171.6-52.1171.2000106.9D34 V35 I58 A60 V65 L409 I411 I447I19-D34 CarbonylContact O-C 3.53Å; I19-D34 WeakPolarHBondContact O-CA 3.24Å; I19-D34 WeakPolarHBondContact O-CB 3.45Å; I19-V35 HydrophobicContact CB-CB 4.23Å; I19-V35 HydrophobicContact CD1-CB 4.35Å; I19-V35 PolarHBondContact N-O 3.23Å; I19-V35 PolarHBondContact O-N 2.84Å; I19-I58 WeakPolarHBondContact CA-O 3.26Å; I19-I58 HydrophobicContact CG1-CD1 4.45Å; I19-A60 HydrophobicContact CG2-CB 3.67Å; I19-V65 HydrophobicContact CD1-CG1 4.31Å; I19-V65 HydrophobicContact CG2-CG2 3.84Å; I19-L409 HydrophobicContact CD1-CD1 3.65Å; I19-I411 HydrophobicContact CG1-CD1 4.47Å; I19-I411 HydrophobicContact CG2-CD1 3.82Å; I19-I411 HydrophobicContact CG2-CG1 4.44Å; I19-I447 HydrophobicContact CD1-CD1 3.64Å; I19-I447 HydrophobicContact CG1-CD1 4.19Å
20R96.7Very high83Confident98 Ų9858.9 Ų58.937%0.3729%0.293SS..EExtended strand (participates in β ladder)trans-115.1141.9-175.6-77.8-161.7158.2152.14.6114.5L18 G22 D34 L49 T57 I58 A60L18-R20 HydrophobicContact CD2-CG 3.72Å; L18-R20 HydrophobicContact CG-CG 3.87Å; R20-G22 PolarHBondContact O-N 3.14Å; R20-G22 VanDerWaalsContact O-N 3.13Å; R20-D34 VanDerWaalsContact CA-OD1 3.24Å; R20-D34 WeakPolarHBondContact CA-OD1 3.34Å; R20-D34 IonicContact NE-OD2 2.78Å; R20-L49 PolarHBondContact NH2-O 2.98Å; R20-T57 HydrophobicContact CG-CG2 4.09Å; R20-I58 PolarHBondContact N-O 3.49Å; R20-A60 WeakPolarHBondContact O-CA 3.47Å; R20-A60 WeakPolarHBondContact O-CB 3.24Å; R20-A60 PolarHBondContact O-N 2.99Å
21G93.5Very high86.1Confident14 Ų1457.1 Ų57.114%0.14428%0.275CS..SBendtrans67.49.4168.100000116.2D34G21-D34 PolarHBondContact N-OD1 2.97Å
22G97Very high89.2Confident0 Ų052.9 Ų52.90%026%0.26CS..  trans-77.9153.4-179.100000113.2R20 I24 Y32 A33 A60R20-G22 PolarHBondContact O-N 3.14Å; R20-G22 VanDerWaalsContact O-N 3.13Å; G22-I24 PolarHBondContact O-N 3.24Å; G22-Y32 WeakPolarHBondContact O-CA 3.37Å; G22-A33 PolarHBondContact O-N 2.85Å; G22-A60 WeakPolarHBondContact CA-O 3.49Å
23R98.6Very high92.2Very high52 Ų5246 Ų4620%0.19623%0.225CC..EExtended strand (participates in β ladder)trans-86.9102.7167.9-167.117567.8140.519109.1V25 F31 Y32 L63 M64 V65 E377R23-V25 PolarHBondContact O-N 2.86Å; R23-F31 CarbonylContact C-O 3.47Å; R23-F31 WeakPolarHBondContact CA-O 3.26Å; R23-Y32 HydrophobicContact CB-CD1 4.02Å; R23-Y32 HydrophobicContact CB-CE1 3.69Å; R23-Y32 HydrophobicContact CG-CE1 4.24Å; R23-Y32 HydrophobicContact CG-CE2 4.24Å; R23-L63 PolarHBondContact N-O 3.12Å; R23-M64 PolarHBondContact NH2-SD 3.5Å; R23-M64 CarbonylContact O-C 3.56Å; R23-M64 VanDerWaalsContact O-CA 3.26Å; R23-M64 WeakPolarHBondContact O-CA 3.41Å; R23-V65 PolarHBondContact O-N 2.67Å; R23-E377 IonicContact CZ-OE1 2.82Å; R23-E377 IonicContact NH1-OE1 2.73Å; R23-E377 PolarHBondContact NH1-OE1 3.46Å; R23-E377 IonicContact NH2-OE1 3.25Å; R23-E377 PolarHBondContact NH2-OE1 3.45Å; R23-E377 IonicContact NH2-OE2 3.56Å
24I98.8Very high94.7Very high0 Ų041.2 Ų41.20%020%0.196CC..EExtended strand (participates in β ladder)trans-64.7132171.4-59.7-179.9000108.5G22 S30 F31 A33 V35 I45 V65 V401G22-I24 PolarHBondContact O-N 3.24Å; I24-S30 CarbonylContact O-C 3.47Å; I24-S30 VanDerWaalsContact O-CA 3.27Å; I24-S30 WeakPolarHBondContact O-CA 3.41Å; I24-F31 HydrophobicContact CB-CE1 4.46Å; I24-F31 HydrophobicContact CB-CE2 4.28Å; I24-F31 HydrophobicContact CB-CZ 4.21Å; I24-F31 HydrophobicContact CD1-CE2 3.93Å; I24-F31 HydrophobicContact CD1-CZ 4.2Å; I24-F31 HydrophobicContact CG2-CE1 4.24Å; I24-F31 HydrophobicContact CG2-CZ 4.08Å; I24-F31 PolarHBondContact N-O 2.68Å; I24-F31 PolarHBondContact O-N 3.49Å; I24-A33 HydrophobicContact CD1-CB 3.85Å; I24-V35 HydrophobicContact CD1-CG2 3.52Å; I24-V35 HydrophobicContact CG1-CG2 4.09Å; I24-I45 HydrophobicContact CD1-CD1 4.42Å; I24-I45 HydrophobicContact CD1-CG2 3.5Å; I24-V65 WeakPolarHBondContact CA-O 3.5Å; I24-V65 HydrophobicContact CG1-CB 4.26Å; I24-V401 HydrophobicContact CD1-CG1 4.15Å; I24-V401 HydrophobicContact CG1-CG1 4.43Å; I24-V401 HydrophobicContact CG2-CB 3.67Å; I24-V401 HydrophobicContact CG2-CG1 3.76Å; I24-V401 HydrophobicContact CG2-CG2 4.13Å
25V98.9Very high96.7Very high0 Ų039.8 Ų39.80%019%0.186CC..EExtended strand (participates in β ladder)trans-125.6119.3175.7-178.60000107.7R23 M64 V65 L66 P67 E377 V381R23-V25 PolarHBondContact O-N 2.86Å; V25-M64 HydrophobicContact CG2-CB 4.15Å; V25-M64 HydrophobicContact CG2-CG 4.41Å; V25-M64 HydrophobicContact CG2-SD 3.98Å; V25-V65 PolarHBondContact N-O 3.2Å; V25-L66 HydrophobicContact CB-CD2 3.62Å; V25-L66 HydrophobicContact CG1-CD2 4.26Å; V25-L66 HydrophobicContact CG2-CD2 3.94Å; V25-P67 WeakPolarHBondContact O-CD 3.46Å; V25-E377 HydrophobicContact CG1-CB 3.96Å; V25-E377 HydrophobicContact CG1-CG 3.71Å; V25-E377 WeakPolarHBondContact CG1-O 3.45Å; V25-E377 HydrophobicContact CG2-CG 4.14Å; V25-V381 HydrophobicContact CB-CG2 4.36Å; V25-V381 HydrophobicContact CG1-CG2 3.84Å
26N98.9Very high97.6Very high3 Ų337.6 Ų37.62%0.01617%0.174CC..  trans-110.6179.8169.7-79.6-53.9000109.9D28 Q29 N378 R400 V401N26-D28 VanDerWaalsContact CB-OD1 3.24Å; N26-D28 WeakPolarHBondContact CB-OD1 3.39Å; N26-D28 PolarHBondContact O-N 3.13Å; N26-Q29 PolarHBondContact N-O 2.99Å; N26-N378 WeakPolarHBondContact O-CA 3.42Å; N26-N378 WeakPolarHBondContact O-CB 3.48Å; N26-N378 PolarHBondContact O-ND2 2.83Å; N26-R400 WeakPolarHBondContact OD1-CA 3.45Å; N26-R400 WeakPolarHBondContact OD1-CG 3.34Å; N26-V401 PolarHBondContact ND2-O 3.05Å; N26-V401 PolarHBondContact OD1-N 3.13Å
27D98.6Very high97.8Very high35 Ų3533 Ų3319%0.18716%0.156CC..SBendtrans-67.6-12.6176.765.5-53.9000114.7A382 T386 K390 R400D27-A382 HydrophobicContact CB-CB 3.91Å; D27-T386 HydrophobicContact CB-CG2 4.07Å; D27-K390 IonicContact OD2-NZ 3.52Å; D27-K390 PolarHBondContact OD2-NZ 2.81Å; D27-R400 IonicContact OD1-NH1 3.49Å; D27-R400 PolarHBondContact OD1-NH1 3.13Å
28D98.4Very high97.7Very high93 Ų9334.5 Ų34.550%0.49716%0.163SC..SBendtrans-117.5-24.4-173.261.5-30.7000115N26 R400N26-D28 VanDerWaalsContact CB-OD1 3.24Å; N26-D28 WeakPolarHBondContact CB-OD1 3.39Å; N26-D28 PolarHBondContact O-N 3.13Å; D28-R400 VanDerWaalsContact CG-NH1 3.34Å; D28-R400 IonicContact OD1-CZ 2.74Å; D28-R400 VanDerWaalsContact OD1-CZ 3.22Å; D28-R400 IonicContact OD1-NH1 3.79Å; D28-R400 PolarHBondContact OD1-NH1 2.93Å; D28-R400 IonicContact OD1-NH2 3.59Å; D28-R400 PolarHBondContact OD1-NH2 2.93Å; D28-R400 IonicContact OD2-CZ 3.33Å; D28-R400 IonicContact OD2-NH1 3.77Å; D28-R400 PolarHBondContact OD2-NH1 3.22Å; D28-R400 IonicContact OD2-NH2 3.06Å; D28-R400 PolarHBondContact OD2-NH2 2.98Å
29Q98.1Very high97.6Very high102 Ų10239.3 Ų39.348%0.47719%0.189SC..  trans-164.6160.6179.257175.5-18.400113.4N26 F31 N378N26-Q29 PolarHBondContact N-O 2.99Å; Q29-F31 HydrophobicContact CG-CD1 4.1Å; Q29-F31 HydrophobicContact CG-CE1 4.25Å; Q29-N378 PolarHBondContact O-ND2 3.32Å; Q29-N378 VanDerWaalsContact O-ND2 3.14Å
30S98.7Very high97.5Very high41 Ų4139.7 Ų39.729%0.28719%0.193SC..EExtended strand (participates in β ladder)trans-122128.9176-65.20000110.8I24 N378I24-S30 CarbonylContact O-C 3.47Å; I24-S30 VanDerWaalsContact O-CA 3.27Å; I24-S30 WeakPolarHBondContact O-CA 3.41Å; S30-N378 PolarHBondContact OG-ND2 2.95Å; S30-N378 PolarHBondContact OG-OD1 2.93Å
31F98.4Very high97.5Very high67 Ų6737.7 Ų37.729%0.29419%0.189SC..EExtended strand (participates in β ladder)trans-152.9158.7-179.161.2-86.3000112.2R23 I24 Q29 A33 I45R23-F31 CarbonylContact C-O 3.47Å; R23-F31 WeakPolarHBondContact CA-O 3.26Å; I24-F31 HydrophobicContact CB-CE1 4.46Å; I24-F31 HydrophobicContact CB-CE2 4.28Å; I24-F31 HydrophobicContact CB-CZ 4.21Å; I24-F31 HydrophobicContact CD1-CE2 3.93Å; I24-F31 HydrophobicContact CD1-CZ 4.2Å; I24-F31 HydrophobicContact CG2-CE1 4.24Å; I24-F31 HydrophobicContact CG2-CZ 4.08Å; I24-F31 PolarHBondContact N-O 2.68Å; I24-F31 PolarHBondContact O-N 3.49Å; Q29-F31 HydrophobicContact CG-CD1 4.1Å; Q29-F31 HydrophobicContact CG-CE1 4.25Å; F31-A33 HydrophobicContact CD2-CB 4.1Å; F31-A33 HydrophobicContact CE2-CB 3.95Å; F31-I45 HydrophobicContact CE2-CG2 3.99Å; F31-I45 HydrophobicContact CZ-CG2 4.43Å
32Y98.4Very high97.8Very high145 Ų14537.1 Ų37.157%0.56918%0.183SC*.EExtended strand (participates in β ladder)trans-88.6130.8176.5-70.5-86.6000110.9G22 R23G22-Y32 WeakPolarHBondContact O-CA 3.37Å; R23-Y32 HydrophobicContact CB-CD1 4.02Å; R23-Y32 HydrophobicContact CB-CE1 3.69Å; R23-Y32 HydrophobicContact CG-CE1 4.24Å; R23-Y32 HydrophobicContact CG-CE2 4.24Å
33A98.1Very high97.8Very high8 Ų840.5 Ų40.57%0.06620%0.198CC..  trans-164.5157.6172.100000110.9G22 I24 F31 I45G22-A33 PolarHBondContact O-N 2.85Å; I24-A33 HydrophobicContact CD1-CB 3.85Å; F31-A33 HydrophobicContact CD2-CB 4.1Å; F31-A33 HydrophobicContact CE2-CB 3.95Å; A33-I45 HydrophobicContact CB-CG2 3.67Å
34D98.1Very high97.7Very high12 Ų1242.5 Ų42.56%0.06421%0.209CC..EExtended strand (participates in β ladder)trans-78.9152.5164.5-61.3-17.5000109.8L18 I19 R20 G21 I45 G46 N48 L49L18-D34 HydrophobicContact CD1-CB 4.33Å; I19-D34 CarbonylContact O-C 3.53Å; I19-D34 WeakPolarHBondContact O-CA 3.24Å; I19-D34 WeakPolarHBondContact O-CB 3.45Å; R20-D34 VanDerWaalsContact CA-OD1 3.24Å; R20-D34 WeakPolarHBondContact CA-OD1 3.34Å; R20-D34 IonicContact NE-OD2 2.78Å; G21-D34 PolarHBondContact N-OD1 2.97Å; D34-I45 WeakPolarHBondContact O-CA 3.22Å; D34-G46 WeakPolarHBondContact CB-O 3.29Å; D34-G46 PolarHBondContact N-O 3.33Å; D34-G46 PolarHBondContact O-N 3.49Å; D34-G46 VanDerWaalsContact O-N 3.16Å; D34-N48 PolarHBondContact OD2-N 3.19Å; D34-L49 HydrophobicContact CB-CB 4.04Å; D34-L49 HydrophobicContact CB-CD1 3.81Å; D34-L49 HydrophobicContact CB-CG 3.85Å; D34-L49 PolarHBondContact OD2-N 3.39Å
35V98.3Very high97.7Very high0 Ų044.7 Ų44.70%022%0.22CC..EExtended strand (participates in β ladder)trans-124.6118.4176.2-173.40000109.6L18 I19 I24 V37 I42 I45 V65 V401 L409L18-V35 WeakPolarHBondContact CA-O 3.3Å; I19-V35 HydrophobicContact CB-CB 4.23Å; I19-V35 HydrophobicContact CD1-CB 4.35Å; I19-V35 PolarHBondContact N-O 3.23Å; I19-V35 PolarHBondContact O-N 2.84Å; I24-V35 HydrophobicContact CD1-CG2 3.52Å; I24-V35 HydrophobicContact CG1-CG2 4.09Å; V35-V37 HydrophobicContact CG1-CG2 4.25Å; V35-I42 HydrophobicContact CG1-CG1 4.33Å; V35-I42 HydrophobicContact CG1-CG2 3.76Å; V35-I45 HydrophobicContact CG1-CG1 4.43Å; V35-I45 HydrophobicContact CG2-CG1 4.48Å; V35-V65 HydrophobicContact CG2-CG1 4.47Å; V35-V401 HydrophobicContact CG2-CG1 4.3Å; V35-L409 HydrophobicContact CG1-CD1 4.24Å
36H97.6Very high97.6Very high10 Ų1045.7 Ų45.75%0.04623%0.231CC..EExtended strand (participates in β ladder)trans-96.7124171.6179.4-120.4000110.6L18 E38 K43 Q44 L49 V51L18-H36 HydrophobicContact CD1-CB 4.26Å; H36-E38 IonicContact CE1-OE2 2.68Å; H36-K43 PolarHBondContact O-N 3.15Å; H36-Q44 HydrophobicContact CB-CB 4.18Å; H36-Q44 PolarHBondContact N-O 3.26Å; H36-Q44 PolarHBondContact O-N 2.68Å; H36-L49 HydrophobicContact CB-CD1 4.1Å; H36-V51 HydrophobicContact CB-CG1 4.11Å
37V97.2Very high97.3Very high0 Ų053 Ų530%027%0.265CS..EExtended strand (participates in β ladder)trans-113.3135.7178.51710000109.2R16 L17 V35 L41 I42 A407 L409R16-V37 VanDerWaalsContact CA-O 3.31Å; R16-V37 WeakPolarHBondContact CA-O 3.47Å; L17-V37 HydrophobicContact CB-CB 4.18Å; L17-V37 PolarHBondContact N-O 2.97Å; L17-V37 PolarHBondContact O-N 3Å; V35-V37 HydrophobicContact CG1-CG2 4.25Å; V37-L41 WeakPolarHBondContact CA-O 3.38Å; V37-I42 HydrophobicContact CG2-CG1 4.43Å; V37-A407 HydrophobicContact CB-CB 4.19Å; V37-A407 HydrophobicContact CG1-CB 3.36Å; V37-A407 HydrophobicContact CG2-CB 3.73Å; V37-L409 HydrophobicContact CG2-CD1 4.25Å
38E95.4Very high97Very high42 Ų4257.7 Ų57.720%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-149.8138.6174.6171.3174.2-142.700109.4R16 H36 G40 L41 K43R16-E38 HydrophobicContact CG-CB 4.14Å; R16-E38 HydrophobicContact CG-CG 3.99Å; R16-E38 IonicContact CZ-OE1 3.01Å; R16-E38 IonicContact NE-OE1 3.65Å; R16-E38 PolarHBondContact NE-OE1 2.97Å; R16-E38 IonicContact NH2-OE1 3.23Å; R16-E38 PolarHBondContact NH2-OE1 2.89Å; H36-E38 IonicContact CE1-OE2 2.68Å; E38-G40 PolarHBondContact O-N 2.9Å; E38-L41 PolarHBondContact N-O 3.25Å; E38-L41 PolarHBondContact O-N 2.83Å; E38-L41 VanDerWaalsContact O-N 3.07Å; E38-K43 HydrophobicContact CB-CD 4.49Å; E38-K43 HydrophobicContact CB-CG 3.74Å; E38-K43 WeakPolarHBondContact O-CE 3.38Å
39D93.8Very high96.7Very high102 Ų10254.2 Ų54.255%0.54527%0.271SS..THydrogen-bonded Turntrans50.840.5179.6-52-34.4000113.3S14 D15 L41S14-D39 WeakPolarHBondContact CB-OD1 3.49Å; S14-D39 PolarHBondContact OG-OD1 2.93Å; D15-D39 PolarHBondContact O-N 2.93Å; D39-L41 VanDerWaalsContact C-N 3.28Å; D39-L41 PolarHBondContact O-N 3.27Å
40G95.6Very high96.2Very high9 Ų957.2 Ų57.29%0.09329%0.289CS..THydrogen-bonded Turntrans73.310.5178.300000116.1E38 A407 Q449E38-G40 PolarHBondContact O-N 2.9Å; G40-A407 PolarHBondContact O-N 3.41Å; G40-Q449 WeakPolarHBondContact CA-O 3.45Å
41L98Very high95.5Very high57 Ų5756.6 Ų56.630%0.29828%0.283SS..EExtended strand (participates in β ladder)trans-123.3147.4179.2-63.1175.7000111.6V37 E38 D39 K43V37-L41 WeakPolarHBondContact CA-O 3.38Å; E38-L41 PolarHBondContact N-O 3.25Å; E38-L41 PolarHBondContact O-N 2.83Å; E38-L41 VanDerWaalsContact O-N 3.07Å; D39-L41 VanDerWaalsContact C-N 3.28Å; D39-L41 PolarHBondContact O-N 3.27Å; L41-K43 HydrophobicContact CB-CD 4.49Å; L41-K43 PolarHBondContact O-N 3.45Å
42I98.4Very high94.7Very high1 Ų157.2 Ų57.21%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-73113.7167.9-58.5172.5000108.2V35 V37 I45 V401 A402 G404 S405 A407 L409V35-I42 HydrophobicContact CG1-CG1 4.33Å; V35-I42 HydrophobicContact CG1-CG2 3.76Å; V37-I42 HydrophobicContact CG2-CG1 4.43Å; I42-I45 HydrophobicContact CG2-CD1 4.05Å; I42-I45 HydrophobicContact CG2-CG1 3.83Å; I42-V401 HydrophobicContact CD1-CG1 4.05Å; I42-A402 WeakPolarHBondContact CB-O 3.43Å; I42-G404 PolarHBondContact O-N 3.29Å; I42-S405 PolarHBondContact N-O 3.17Å; I42-A407 HydrophobicContact CG1-CB 4.23Å; I42-L409 HydrophobicContact CD1-CD1 4.31Å; I42-L409 HydrophobicContact CD1-CD2 4.07Å; I42-L409 HydrophobicContact CG1-CD1 4.41Å
43K97.2Very high93.8Very high72 Ų7254.1 Ų54.131%0.31331%0.307SS..EExtended strand (participates in β ladder)trans-93-38.6-178.5-61.7-58.8-174.2-178.90113.4H36 E38 L41 V403H36-K43 PolarHBondContact O-N 3.15Å; E38-K43 HydrophobicContact CB-CD 4.49Å; E38-K43 HydrophobicContact CB-CG 3.74Å; E38-K43 WeakPolarHBondContact O-CE 3.38Å; L41-K43 HydrophobicContact CB-CD 4.49Å; L41-K43 PolarHBondContact O-N 3.45Å; K43-V403 WeakPolarHBondContact O-CG1 3.48Å
44Q97.3Very high93.1Very high94 Ų9458 Ų5844%0.43935%0.347SS..EExtended strand (participates in β ladder)trans-145.2143.5-175.5-59.8179.2-6.800110H36 L49H36-Q44 HydrophobicContact CB-CB 4.18Å; H36-Q44 PolarHBondContact N-O 3.26Å; H36-Q44 PolarHBondContact O-N 2.68Å; Q44-L49 HydrophobicContact CB-CD1 4.15Å; Q44-L49 HydrophobicContact CB-CD2 4.42Å
45I98.1Very high92.7Very high45 Ų4558.9 Ų58.923%0.23135%0.351CS..EExtended strand (participates in β ladder)trans-130.6132.1169.5-61.1175.3000105.9I24 F31 A33 D34 V35 I42 V401 V403I24-I45 HydrophobicContact CD1-CD1 4.42Å; I24-I45 HydrophobicContact CD1-CG2 3.5Å; F31-I45 HydrophobicContact CE2-CG2 3.99Å; F31-I45 HydrophobicContact CZ-CG2 4.43Å; A33-I45 HydrophobicContact CB-CG2 3.67Å; D34-I45 WeakPolarHBondContact O-CA 3.22Å; V35-I45 HydrophobicContact CG1-CG1 4.43Å; V35-I45 HydrophobicContact CG2-CG1 4.48Å; I42-I45 HydrophobicContact CG2-CD1 4.05Å; I42-I45 HydrophobicContact CG2-CG1 3.83Å; I45-V401 HydrophobicContact CD1-CG1 4.14Å; I45-V403 HydrophobicContact CG1-CG2 4.22Å
46G96.6Very high92.5Very high22 Ų2262.7 Ų62.723%0.22737%0.368CS..EExtended strand (participates in β ladder)trans174.3172.9179.200000112.9D34D34-G46 WeakPolarHBondContact CB-O 3.29Å; D34-G46 PolarHBondContact N-O 3.33Å; D34-G46 PolarHBondContact O-N 3.49Å; D34-G46 VanDerWaalsContact O-N 3.16Å
47E93.4Very high92.3Very high156 Ų15665.8 Ų65.873%0.72939%0.388SS*.THydrogen-bonded Turntrans-78.6139.9176.4-63179.8-176.600111.2L49E47-L49 PolarHBondContact O-N 2.93Å
48N91.3Very high92.3Very high133 Ų13366.2 Ų66.271%0.71139%0.39SS*.THydrogen-bonded Turntrans52.749.7171.2-58.3-71.5000113.9D34 I50D34-N48 PolarHBondContact OD2-N 3.19Å; N48-I50 PolarHBondContact O-N 3.14Å
49L93.6Very high92.3Very high21 Ų2169.4 Ų69.411%0.1141%0.409CS..  trans-63.2123.6-172.8-72.3179000111.7L18 R20 D34 H36 Q44 E47 V51L18-L49 HydrophobicContact CD1-CB 4.12Å; L18-L49 HydrophobicContact CD1-CD1 4.36Å; R20-L49 PolarHBondContact NH2-O 2.98Å; D34-L49 HydrophobicContact CB-CB 4.04Å; D34-L49 HydrophobicContact CB-CD1 3.81Å; D34-L49 HydrophobicContact CB-CG 3.85Å; D34-L49 PolarHBondContact OD2-N 3.39Å; H36-L49 HydrophobicContact CB-CD1 4.1Å; Q44-L49 HydrophobicContact CB-CD1 4.15Å; Q44-L49 HydrophobicContact CB-CD2 4.42Å; E47-L49 PolarHBondContact O-N 2.93Å; L49-V51 HydrophobicContact CB-CG1 4.37Å
50I87.6Confident92.5Very high164 Ų16464.6 Ų64.684%0.84138%0.383SS*.  trans-90.7109.8172.4-55.2177.2000107.9N48N48-I50 PolarHBondContact O-N 3.14Å
51V83.9Confident92.6Very high28 Ų2870.2 Ų70.217%0.1741%0.406CS..  trans-128.4157.5-175.5-710000110.5L18 H36 L49 G53 I55L18-V51 HydrophobicContact CB-CG2 4.34Å; L18-V51 HydrophobicContact CD1-CG1 4.34Å; L18-V51 HydrophobicContact CD1-CG2 4.01Å; L18-V51 HydrophobicContact CD2-CG2 3.54Å; L18-V51 HydrophobicContact CG-CG2 4.17Å; H36-V51 HydrophobicContact CB-CG1 4.11Å; L49-V51 HydrophobicContact CB-CG1 4.37Å; V51-G53 PolarHBondContact O-N 2.74Å; V51-I55 HydrophobicContact CB-CD1 3.97Å; V51-I55 HydrophobicContact CG2-CD1 3.47Å; V51-I55 VanDerWaalsContact CG2-CD1 3.47Å
52P81.1Confident92.4Very high80 Ų8070 Ų7052%0.51942%0.419SS..  trans-56.8138.2-177.4-25.635.4000112.8
53G79.3Confident92.4Very high81 Ų8171.6 Ų71.684%0.83543%0.427SS*.THydrogen-bonded Turntrans-64.315317800000113.2V51V51-G53 PolarHBondContact O-N 2.74Å
54G82.5Confident92.5Very high89 Ų8969 Ų6992%0.91842%0.416SS*.THydrogen-bonded Turntrans90.29.7178.300000115.5
55I91.5Very high92.6Very high30 Ų3064.5 Ų64.515%0.15440%0.395CS..SBendtrans-89.8156.1169.668.3174.6000110.9R16 L18 V51 T57R16-I55 HydrophobicContact CB-CB 3.99Å; R16-I55 HydrophobicContact CB-CG2 3.53Å; R16-I55 HydrophobicContact CG-CG2 4.33Å; L18-I55 HydrophobicContact CB-CD1 3.76Å; V51-I55 HydrophobicContact CB-CD1 3.97Å; V51-I55 HydrophobicContact CG2-CD1 3.47Å; V51-I55 VanDerWaalsContact CG2-CD1 3.47Å; I55-T57 PolarHBondContact O-N 2.91Å
56K92.4Very high92.6Very high80 Ų8062.4 Ų62.435%0.34838%0.384SS..EExtended strand (participates in β ladder)trans-72.6125.4174.9176.9174178175.50109.3R16 L17 L18 I58 V452 E455R16-K56 PolarHBondContact O-N 3.49Å; L17-K56 WeakPolarHBondContact CA-O 3.47Å; L17-K56 HydrophobicContact CD2-CB 3.82Å; L17-K56 HydrophobicContact CD2-CD 4.1Å; L17-K56 HydrophobicContact CD2-CG 4.16Å; L18-K56 PolarHBondContact N-O 2.81Å; K56-I58 HydrophobicContact CG-CG1 4.46Å; K56-V452 HydrophobicContact CD-CG2 4.37Å; K56-E455 WeakPolarHBondContact CE-OE1 3.15Å; K56-E455 IonicContact NZ-OE1 3.01Å; K56-E455 PolarHBondContact NZ-OE1 2.87Å; K56-E455 IonicContact NZ-OE2 3.78Å; K56-E455 PolarHBondContact NZ-OE2 3.25Å
57T94.8Very high92.7Very high75 Ų7561.5 Ų61.546%0.4637%0.374SS..EExtended strand (participates in β ladder)trans-101.7136.1172.6-56.10000109.2L18 R20 I55L18-T57 HydrophobicContact CD2-CG2 4.33Å; L18-T57 CarbonylContact O-C 3.49Å; L18-T57 VanDerWaalsContact O-CA 3.29Å; L18-T57 WeakPolarHBondContact O-CA 3.27Å; R20-T57 HydrophobicContact CG-CG2 4.09Å; I55-T57 PolarHBondContact O-N 2.91Å
58I96.6Very high93Very high9 Ų954.1 Ų54.15%0.04634%0.34CS..EExtended strand (participates in β ladder)trans-117.4125.1176.4-51.6165000107.2L17 L18 I19 R20 K56 I411 V445 I447 V452L17-I58 HydrophobicContact CD1-CD1 4.2Å; L18-I58 PolarHBondContact O-N 3.37Å; I19-I58 WeakPolarHBondContact CA-O 3.26Å; I19-I58 HydrophobicContact CG1-CD1 4.45Å; R20-I58 PolarHBondContact N-O 3.49Å; K56-I58 HydrophobicContact CG-CG1 4.46Å; I58-I411 HydrophobicContact CB-CD1 4.19Å; I58-I411 HydrophobicContact CG2-CD1 3.38Å; I58-V445 HydrophobicContact CD1-CG1 4.39Å; I58-V445 HydrophobicContact CG2-CG2 4.1Å; I58-I447 HydrophobicContact CD1-CD1 3.84Å; I58-V452 HydrophobicContact CD1-CG2 3.7Å
59D96.4Very high93.3Very high110 Ų11047.8 Ų47.859%0.58831%0.306SS*.EExtended strand (participates in β ladder)trans-82.5123.9177.4-166.7-12.5000109.9H61D59-H61 WeakPolarHBondContact OD1-CB 3.47Å; D59-H61 IonicContact OD1-CE1 3.8Å; D59-H61 IonicContact OD1-CG 3.44Å; D59-H61 PolarHBondContact OD1-N 2.88Å; D59-H61 IonicContact OD1-ND1 2.7Å; D59-H61 PolarHBondContact OD1-ND1 3.21Å; D59-H61 IonicContact OD2-ND1 3.83Å
60A97.6Very high93.6Very high0 Ų046.9 Ų46.90%030%0.301CS..  trans-119.914.4177.900000112.8I19 R20 G22 G62 L63 V65 I411I19-A60 HydrophobicContact CG2-CB 3.67Å; R20-A60 WeakPolarHBondContact O-CA 3.47Å; R20-A60 WeakPolarHBondContact O-CB 3.24Å; R20-A60 PolarHBondContact O-N 2.99Å; G22-A60 WeakPolarHBondContact CA-O 3.49Å; A60-G62 PolarHBondContact O-N 3.2Å; A60-L63 WeakPolarHBondContact O-CA 3.42Å; A60-L63 WeakPolarHBondContact O-CB 3.4Å; A60-L63 PolarHBondContact O-N 3.22Å; A60-V65 HydrophobicContact CB-CG2 4.14Å; A60-I411 HydrophobicContact CB-CD1 4.35Å; A60-I411 HydrophobicContact CB-CG2 4.03Å
61H96.3Very high94.1Very high127 Ų12739 Ų3959%0.58826%0.261SS*.THydrogen-bonded Turntrans-56.3124.6179-73.592.9000111.9D59 L63D59-H61 WeakPolarHBondContact OD1-CB 3.47Å; D59-H61 IonicContact OD1-CE1 3.8Å; D59-H61 IonicContact OD1-CG 3.44Å; D59-H61 PolarHBondContact OD1-N 2.88Å; D59-H61 IonicContact OD1-ND1 2.7Å; D59-H61 PolarHBondContact OD1-ND1 3.21Å; D59-H61 IonicContact OD2-ND1 3.83Å; H61-L63 PolarHBondContact O-N 2.72Å
62G95.3Very high94.8Very high54 Ų5437.7 Ų37.756%0.55725%0.253SS*.THydrogen-bonded Turntrans74.63.2-177.200000115.1A60A60-G62 PolarHBondContact O-N 3.2Å
63L98.1Very high95.6Very high34 Ų3433.9 Ų33.918%0.17823%0.229CC..SBendtrans-105.8166.2173.7-51.5-177.7000110.3R23 A60 H61 I411 N413 A444R23-L63 PolarHBondContact N-O 3.12Å; A60-L63 WeakPolarHBondContact O-CA 3.42Å; A60-L63 WeakPolarHBondContact O-CB 3.4Å; A60-L63 PolarHBondContact O-N 3.22Å; H61-L63 PolarHBondContact O-N 2.72Å; L63-I411 HydrophobicContact CB-CG2 3.74Å; L63-I411 HydrophobicContact CD1-CG2 3.57Å; L63-I411 HydrophobicContact CG-CG2 4.31Å; L63-N413 HydrophobicContact CD2-CB 3.78Å; L63-A444 HydrophobicContact CD1-CB 4.43Å
64M98.7Very high96.6Very high17 Ų1730 Ų308%0.08419%0.189CC..EExtended strand (participates in β ladder)trans-101.5146.8175-47.7-167.7-169.500110.7R23 V25 L66 W366 E377 I411 W412 P414R23-M64 PolarHBondContact NH2-SD 3.5Å; R23-M64 CarbonylContact O-C 3.56Å; R23-M64 VanDerWaalsContact O-CA 3.26Å; R23-M64 WeakPolarHBondContact O-CA 3.41Å; V25-M64 HydrophobicContact CG2-CB 4.15Å; V25-M64 HydrophobicContact CG2-CG 4.41Å; V25-M64 HydrophobicContact CG2-SD 3.98Å; M64-L66 HydrophobicContact CB-CD2 3.72Å; M64-L66 HydrophobicContact CB-CG 4.37Å; M64-L66 HydrophobicContact SD-CD2 4.46Å; M64-W366 HydrophobicContact CE-CH2 3.59Å; M64-W366 HydrophobicContact CE-CZ2 4.12Å; M64-W366 HydrophobicContact SD-CH2 3.8Å; M64-W366 HydrophobicContact SD-CZ3 4.39Å; M64-E377 HydrophobicContact SD-CB 4.15Å; M64-I411 CarbonylContact O-C 3.48Å; M64-I411 VanDerWaalsContact O-CA 3.29Å; M64-I411 WeakPolarHBondContact O-CA 3.05Å; M64-W412 HydrophobicContact CB-CB 4.34Å; M64-W412 PolarHBondContact N-O 2.98Å; M64-W412 PolarHBondContact O-N 3.39Å; M64-P414 HydrophobicContact CE-CB 3.81Å; M64-P414 HydrophobicContact CE-CG 3.74Å
65V98.8Very high97.3Very high0 Ų026.4 Ų26.40%015%0.147CC..EExtended strand (participates in β ladder)trans-111.6103.8172.6-176.90000107.5I19 R23 I24 V25 V35 A60 L409I19-V65 HydrophobicContact CD1-CG1 4.31Å; I19-V65 HydrophobicContact CG2-CG2 3.84Å; R23-V65 PolarHBondContact O-N 2.67Å; I24-V65 WeakPolarHBondContact CA-O 3.5Å; I24-V65 HydrophobicContact CG1-CB 4.26Å; V25-V65 PolarHBondContact N-O 3.2Å; V35-V65 HydrophobicContact CG2-CG1 4.47Å; A60-V65 HydrophobicContact CB-CG2 4.14Å; V65-L409 HydrophobicContact CG1-CD2 4.4Å
66L98.8Very high97.6Very high1 Ų125.1 Ų25.11%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-102.4156.2-176.5-45-174.4000109.9V25 M64 F380 V381 L409 V410 W412V25-L66 HydrophobicContact CB-CD2 3.62Å; V25-L66 HydrophobicContact CG1-CD2 4.26Å; V25-L66 HydrophobicContact CG2-CD2 3.94Å; M64-L66 HydrophobicContact CB-CD2 3.72Å; M64-L66 HydrophobicContact CB-CG 4.37Å; M64-L66 HydrophobicContact SD-CD2 4.46Å; L66-F380 HydrophobicContact CD1-CD1 4.26Å; L66-F380 HydrophobicContact CD1-CE1 3.8Å; L66-V381 HydrophobicContact CB-CG2 4.39Å; L66-V381 HydrophobicContact CD2-CG2 4.07Å; L66-L409 WeakPolarHBondContact O-CA 3.27Å; L66-V410 HydrophobicContact CB-CB 4.48Å; L66-V410 PolarHBondContact N-O 2.96Å; L66-V410 PolarHBondContact O-N 2.68Å; L66-W412 HydrophobicContact CD1-CB 3.66Å; L66-W412 HydrophobicContact CD1-CD2 4.28Å; L66-W412 HydrophobicContact CD1-CG 3.89Å; L66-W412 HydrophobicContact CG-CB 3.95Å
67P98.9Very high97.6Very high2 Ų222.5 Ų22.51%0.01313%0.13CC..EExtended strand (participates in β ladder)trans-58.9143.4156.6-13.228.7000108.8V25 V381 V401V25-P67 WeakPolarHBondContact O-CD 3.46Å; P67-V381 HydrophobicContact CG-CG1 3.69Å; P67-V401 HydrophobicContact CG-CG2 3.95Å
68G98.9Very high97.4Very high2 Ų219.9 Ų19.92%0.02111%0.112CC..PPolyproline II helixtrans-62.4144.2171.900000111.9T102 S385 D408G68-T102 VanDerWaalsContact CA-OG1 3.27Å; G68-T102 WeakPolarHBondContact CA-OG1 3.21Å; G68-S385 WeakPolarHBondContact O-CB 3.48Å; G68-D408 PolarHBondContact N-O 2.97Å
69G98.9Very high96.9Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-62.2144.1-176.500000111.7G100 T101 T102 M103G69-G100 PolarHBondContact N-O 3.02Å; G69-T101 CarbonylContact O-C 3.51Å; G69-T101 WeakPolarHBondContact O-CA 3.32Å; G69-T101 WeakPolarHBondContact O-CG2 3.45Å; G69-T102 PolarHBondContact O-N 3.04Å; G69-M103 PolarHBondContact O-N 3.48Å
70V98.9Very high96.5Very high1 Ų117.1 Ų17.11%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-110.8112.7171.2-177.90000107.5V72 M103 L105 R361 T384 A388 F394V70-V72 HydrophobicContact CG1-CG1 4.18Å; V70-M103 WeakPolarHBondContact CA-O 3.33Å; V70-M103 HydrophobicContact CG1-CB 4.4Å; V70-M103 HydrophobicContact CG1-CG 4.48Å; V70-M103 HydrophobicContact CG1-SD 4.4Å; V70-M103 HydrophobicContact CG2-CB 4.34Å; V70-L105 HydrophobicContact CG1-CD1 3.71Å; V70-R361 PolarHBondContact O-NH1 2.76Å; V70-R361 PolarHBondContact O-NH2 3.5Å; V70-T384 PolarHBondContact N-O 3.23Å; V70-A388 HydrophobicContact CB-CB 3.98Å; V70-A388 HydrophobicContact CG1-CB 3.76Å; V70-F394 HydrophobicContact CG1-CE2 4.22Å; V70-F394 HydrophobicContact CG1-CZ 3.9Å; V70-F394 HydrophobicContact CG2-CE2 4.27Å
71D98.9Very high95.9Very high0 Ų021.5 Ų21.50%012%0.123CC..EExtended strand (participates in β ladder)trans-89125.8169.7-162.7-28.1000108.8H73 T74 T101 M103 I104 L105 G330 S331 R361D71-H73 PolarHBondContact OD1-N 2.98Å; D71-T74 HydrophobicContact CB-CG2 4.42Å; D71-T101 HydrophobicContact CB-CG2 3.76Å; D71-M103 PolarHBondContact N-O 3.34Å; D71-I104 HydrophobicContact CB-CG2 4.43Å; D71-I104 CarbonylContact O-C 3.52Å; D71-I104 VanDerWaalsContact O-CA 3.31Å; D71-I104 WeakPolarHBondContact O-CA 3.44Å; D71-L105 WeakPolarHBondContact O-CD1 3.42Å; D71-L105 PolarHBondContact O-N 2.81Å; D71-G330 VanDerWaalsContact OD1-CA 3.25Å; D71-G330 WeakPolarHBondContact OD1-CA 3.35Å; D71-S331 PolarHBondContact OD1-N 2.8Å; D71-S331 PolarHBondContact OD1-OG 2.82Å; D71-S331 WeakPolarHBondContact OD2-CB 3.33Å; D71-S331 PolarHBondContact OD2-N 2.8Å; D71-S331 PolarHBondContact OD2-OG 3.45Å; D71-R361 IonicContact OD2-NE 2.88Å
72V98.4Very high95.4Very high0 Ų019 Ų190%013%0.133CC..EExtended strand (participates in β ladder)trans-99.5-0.8-171.3-66.10000113.6V70 L105 H138 Y251 E277 V328 A388 F392V70-V72 HydrophobicContact CG1-CG1 4.18Å; V72-L105 HydrophobicContact CG1-CD1 4.42Å; V72-H138 PolarHBondContact O-CD2 2.97Å; V72-H138 PolarHBondContact O-NE2 2.84Å; V72-H138 VanDerWaalsContact O-NE2 3.14Å; V72-Y251 WeakPolarHBondContact CG2-OH 3.31Å; V72-E277 HydrophobicContact CG2-CG 4.08Å; V72-V328 HydrophobicContact CB-CG1 4.32Å; V72-V328 HydrophobicContact CG1-CG1 3.79Å; V72-V328 HydrophobicContact CG2-CG1 3.58Å; V72-A388 HydrophobicContact CG1-CB 3.38Å; V72-F392 HydrophobicContact CB-CE2 3.96Å; V72-F392 HydrophobicContact CG1-CD2 4.06Å; V72-F392 HydrophobicContact CG1-CE2 3.71Å
73H98.6Very high95.3Very high0 Ų018.1 Ų18.10%011%0.114CC..EExtended strand (participates in β ladder)trans-14992.7-175.5-160.5143000109.9D71 R75 H107 E277 S331 A332 H333D71-H73 PolarHBondContact OD1-N 2.98Å; H73-R75 PolarHBondContact NE2-NE 3.23Å; H73-R75 VanDerWaalsContact NE2-NE 3.19Å; H73-R75 PolarHBondContact NE2-NH2 2.81Å; H73-H107 AromaticContact CD2-CD2 3.52Å; H73-H107 AromaticContact CD2-NE2 3.5Å; H73-H107 AromaticContact CE1-NE2 3.78Å; H73-H107 AromaticContact CG-NE2 3.71Å; H73-H107 AromaticContact ND1-NE2 3.9Å; H73-H107 AromaticContact NE2-CD2 3.76Å; H73-H107 AromaticContact NE2-NE2 3.58Å; H73-E277 WeakPolarHBondContact CB-OE1 3.47Å; H73-E277 IonicContact CG-OE1 2.77Å; H73-E277 IonicContact ND1-OE1 3.8Å; H73-E277 IonicContact ND1-OE2 3.65Å; H73-E277 PolarHBondContact ND1-OE2 3.03Å; H73-S331 PolarHBondContact O-OG 2.88Å; H73-A332 WeakPolarHBondContact O-CA 3.38Å; H73-A332 PolarHBondContact O-N 3.25Å; H73-H333 PolarHBondContact O-N 3.05Å
74T98.8Very high95Very high0 Ų021 Ų210%013%0.133CC..EExtended strand (participates in β ladder)trans-119.6155.7168.165.90000110.5D71 I104 L105 D106 H107 I358D71-T74 HydrophobicContact CB-CG2 4.42Å; T74-I104 HydrophobicContact CG2-CB 4Å; T74-I104 HydrophobicContact CG2-CG2 4.1Å; T74-L105 PolarHBondContact N-O 2.98Å; T74-L105 PolarHBondContact OG1-O 2.74Å; T74-D106 WeakPolarHBondContact CB-OD2 3.38Å; T74-D106 WeakPolarHBondContact O-CA 3.42Å; T74-D106 VanDerWaalsContact O-OD2 3.14Å; T74-D106 VanDerWaalsContact OG1-CA 3.32Å; T74-D106 WeakPolarHBondContact OG1-CA 3.44Å; T74-D106 WeakPolarHBondContact OG1-CB 3.44Å; T74-D106 PolarHBondContact OG1-OD2 3.05Å; T74-H107 PolarHBondContact O-N 3.22Å; T74-I358 HydrophobicContact CG2-CD1 3.67Å; T74-I358 HydrophobicContact CG2-CG1 4.41Å
75R98.1Very high94.9Very high13 Ų1320.7 Ų20.75%0.04913%0.133CC..  trans-136.954177-64.1-178.5176.6-97.7-18109.5H73 Q77 M78 P85 D106 H107 D140 H333 C334H73-R75 PolarHBondContact NE2-NE 3.23Å; H73-R75 VanDerWaalsContact NE2-NE 3.19Å; H73-R75 PolarHBondContact NE2-NH2 2.81Å; R75-Q77 VanDerWaalsContact C-N 3.28Å; R75-Q77 PolarHBondContact O-N 3.33Å; R75-M78 HydrophobicContact CB-CB 4.08Å; R75-M78 HydrophobicContact CG-SD 4.44Å; R75-M78 PolarHBondContact NH1-SD 2.6Å; R75-P85 WeakPolarHBondContact O-CG 3.44Å; R75-D106 WeakPolarHBondContact CA-OD2 3.45Å; R75-D106 PolarHBondContact N-OD2 3.49Å; R75-H107 HydrophobicContact CG-CB 4.24Å; R75-H107 PolarHBondContact NH2-ND1 2.9Å; R75-D140 IonicContact CZ-OD2 2.67Å; R75-D140 IonicContact NH1-OD2 2.75Å; R75-D140 PolarHBondContact NH1-OD2 2.65Å; R75-D140 IonicContact NH2-OD2 2.76Å; R75-D140 PolarHBondContact NH2-OD2 2.77Å; R75-H333 PolarHBondContact N-O 3.16Å; R75-C334 HydrophobicContact CB-CB 3.86Å
76L97.8Very high94.9Very high3 Ų321.6 Ų21.62%0.01614%0.14CC..THydrogen-bonded Turntrans-67.3-33.5178.2-54.6179.8000110.7P85 F89 T93 I104 D106L76-P85 WeakPolarHBondContact O-CG 3.31Å; L76-F89 HydrophobicContact CB-CD1 4.38Å; L76-F89 HydrophobicContact CB-CE1 4.43Å; L76-F89 HydrophobicContact CD1-CD1 3.87Å; L76-F89 HydrophobicContact CD1-CE1 4.26Å; L76-F89 HydrophobicContact CD1-CG 4.48Å; L76-T93 HydrophobicContact CD1-CG2 4.5Å; L76-I104 HydrophobicContact CD1-CD1 3.6Å; L76-D106 PolarHBondContact N-OD2 3.4Å
77Q92.3Very high94.8Very high25 Ų2521.6 Ų21.612%0.11714%0.14CC..THydrogen-bonded Turntrans-78.9-20-177.1-172.9-67.6-83.100116.5R75 F89 W123 R126R75-Q77 VanDerWaalsContact C-N 3.28Å; R75-Q77 PolarHBondContact O-N 3.33Å; Q77-F89 HydrophobicContact CB-CD2 4.15Å; Q77-F89 HydrophobicContact CB-CE2 3.82Å; Q77-W123 VanDerWaalsContact NE2-CE3 3.31Å; Q77-W123 VanDerWaalsContact NE2-CH2 3.34Å; Q77-W123 VanDerWaalsContact NE2-CZ3 3.29Å; Q77-R126 VanDerWaalsContact CD-NE 3.25Å
78M89.9Confident94.7Very high19 Ų1925.4 Ų25.49%0.09416%0.16CC..  trans-85.9121.1-148.8-176.1-179.978.600114.8R75 V80 P85 F109R75-M78 HydrophobicContact CB-CB 4.08Å; R75-M78 HydrophobicContact CG-SD 4.44Å; R75-M78 PolarHBondContact NH1-SD 2.6Å; M78-V80 HydrophobicContact CE-CG2 3.48Å; M78-V80 VanDerWaalsContact CE-CG2 3.48Å; M78-P85 VanDerWaalsContact O-CD 3.27Å; M78-P85 WeakPolarHBondContact O-CD 3.22Å; M78-P85 WeakPolarHBondContact O-CG 3.19Å; M78-F109 HydrophobicContact CG-CB 3.91Å; M78-F109 HydrophobicContact CG-CD1 4.42Å; M78-F109 HydrophobicContact CG-CD2 4.47Å; M78-F109 HydrophobicContact CG-CG 4.02Å; M78-F109 HydrophobicContact SD-CB 4.39Å; M78-F109 HydrophobicContact SD-CD2 4.06Å; M78-F109 HydrophobicContact SD-CG 4.21Å
79P86.5Confident94.7Very high36 Ų3625.5 Ų25.523%0.23416%0.16CC..  trans-72.3131.2174.330-33.3000111.9M83P79-M83 CarbonylContact C-O 3.58Å; P79-M83 WeakPolarHBondContact CA-O 3.47Å
80V87.1Confident94.7Very high25 Ų2527 Ų2715%0.15217%0.171CC..BIsolated β-bridgetrans-124.6118172.4179.20000109.1M78 G82 M83 F336 P352M78-V80 HydrophobicContact CE-CG2 3.48Å; M78-V80 VanDerWaalsContact CE-CG2 3.48Å; V80-G82 PolarHBondContact O-N 3.27Å; V80-G82 VanDerWaalsContact O-N 3.13Å; V80-M83 PolarHBondContact N-O 2.77Å; V80-M83 WeakPolarHBondContact O-CB 3.21Å; V80-M83 PolarHBondContact O-N 2.85Å; V80-F336 HydrophobicContact CB-CE1 4.11Å; V80-F336 HydrophobicContact CB-CE2 4.43Å; V80-F336 HydrophobicContact CB-CZ 3.64Å; V80-F336 HydrophobicContact CG1-CZ 4.46Å; V80-F336 HydrophobicContact CG2-CE1 4.46Å; V80-F336 HydrophobicContact CG2-CE2 4.19Å; V80-F336 HydrophobicContact CG2-CZ 3.56Å; V80-P352 HydrophobicContact CB-CB 4.21Å; V80-P352 HydrophobicContact CG1-CB 3.64Å
81L85.6Confident94.6Very high92 Ų9228.5 Ų28.548%0.48218%0.178SC..THydrogen-bonded Turntrans52.331.8-175.1-56.1175.7000113.3M83 L350L81-M83 VanDerWaalsContact C-N 3.3Å; L81-M83 HydrophobicContact CB-CE 4.25Å; L81-M83 PolarHBondContact O-N 3.08Å; L81-L350 HydrophobicContact CD1-CD2 4.43Å; L81-L350 WeakPolarHBondContact CD1-O 3.43Å
82G85.9Confident94.6Very high76 Ų7628.5 Ų28.578%0.78418%0.178SC*.THydrogen-bonded Turntrans80.8-0.7-176.300000115.3V80V80-G82 PolarHBondContact O-N 3.27Å; V80-G82 VanDerWaalsContact O-N 3.13Å
83M92.5Very high94.6Very high34 Ų3428.5 Ų28.517%0.16718%0.178CC..BIsolated β-bridgetrans-91.3138173-61.4179.4-78.300110.7P79 V80 L81 F336 Q340 V343 P352P79-M83 CarbonylContact C-O 3.58Å; P79-M83 WeakPolarHBondContact CA-O 3.47Å; V80-M83 PolarHBondContact N-O 2.77Å; V80-M83 WeakPolarHBondContact O-CB 3.21Å; V80-M83 PolarHBondContact O-N 2.85Å; L81-M83 VanDerWaalsContact C-N 3.3Å; L81-M83 HydrophobicContact CB-CE 4.25Å; L81-M83 PolarHBondContact O-N 3.08Å; M83-F336 HydrophobicContact CB-CE1 4.39Å; M83-Q340 HydrophobicContact SD-CB 3.73Å; M83-Q340 HydrophobicContact SD-CG 3.85Å; M83-V343 HydrophobicContact CE-CB 4.32Å; M83-V343 HydrophobicContact CE-CG2 4.01Å; M83-V343 HydrophobicContact SD-CG2 3.87Å; M83-P352 HydrophobicContact CE-CB 3.94Å; M83-P352 HydrophobicContact CE-CG 3.68Å
84T93.4Very high94.6Very high94 Ų9431.1 Ų31.158%0.57719%0.189SC*.PPolyproline II helixtrans-81.8155.516853.70000111Q340T84-Q340 PolarHBondContact O-NE2 3.38Å
85P96.3Very high94.6Very high12 Ų1231.1 Ų31.18%0.07819%0.189CC..PPolyproline II helixtrans-59.7156.3171.6-22.736.9000111.8R75 L76 M78 T335R75-P85 WeakPolarHBondContact O-CG 3.44Å; L76-P85 WeakPolarHBondContact O-CG 3.31Å; M78-P85 VanDerWaalsContact O-CD 3.27Å; M78-P85 WeakPolarHBondContact O-CD 3.22Å; M78-P85 WeakPolarHBondContact O-CG 3.19Å; P85-T335 CarbonylContact C-O 3.53Å; P85-T335 WeakPolarHBondContact CA-O 3.29Å
86A97.3Very high94.7Very high19 Ų1930.5 Ų30.516%0.15719%0.187CC..SBendtrans-74.9-33.4179.400000112.3T335 T337 N428 V429A86-T335 PolarHBondContact N-O 3.02Å; A86-T337 HydrophobicContact CB-CG2 3.86Å; A86-N428 HydrophobicContact CB-CB 4.31Å; A86-N428 WeakPolarHBondContact O-CB 3.32Å; A86-N428 PolarHBondContact O-ND2 3.22Å; A86-V429 HydrophobicContact CB-CG1 3.67Å
87D97.9Very high94.7Very high0 Ų030.4 Ų30.40%019%0.186CC..SBendtrans-101.9115.6173.9-61.7-67.9000110Q91 H333 T335 L427 N428D87-Q91 HydrophobicContact CB-CB 4.49Å; D87-Q91 VanDerWaalsContact OD1-CG 3.24Å; D87-Q91 WeakPolarHBondContact OD1-CG 3.4Å; D87-H333 IonicContact OD2-NE2 2.74Å; D87-T335 WeakPolarHBondContact CB-OG1 3.46Å; D87-T335 PolarHBondContact N-OG1 3.17Å; D87-T335 VanDerWaalsContact OD2-CB 3.29Å; D87-T335 WeakPolarHBondContact OD2-CB 3.2Å; D87-T335 WeakPolarHBondContact OD2-CG2 3.37Å; D87-T335 PolarHBondContact OD2-OG1 3.42Å; D87-L427 WeakPolarHBondContact OD1-CA 3.39Å; D87-N428 WeakPolarHBondContact OD1-CB 3.28Å; D87-N428 PolarHBondContact OD1-N 2.8Å
88D97.4Very high95Very high82 Ų8229.4 Ų29.444%0.43918%0.182SC..  trans-87.4-173.4177.672.14.3000112.2C90 Q91 G92D88-C90 PolarHBondContact O-N 2.68Å; D88-C90 WeakPolarHBondContact OD1-CA 3.32Å; D88-C90 WeakPolarHBondContact OD1-CB 3.26Å; D88-C90 PolarHBondContact OD1-N 2.76Å; D88-Q91 PolarHBondContact O-N 3.28Å; D88-Q91 PolarHBondContact OD1-N 3.49Å; D88-G92 WeakPolarHBondContact O-CA 3.47Å; D88-G92 PolarHBondContact O-N 3Å
89F98.4Very high95.4Very high4 Ų428.6 Ų28.62%0.01818%0.179CC..Hα-helixtrans-58.1-31.8176.1-85.1-66.5000114L76 Q77 T93 I104 D106 W123 R126 A127 A130L76-F89 HydrophobicContact CB-CD1 4.38Å; L76-F89 HydrophobicContact CB-CE1 4.43Å; L76-F89 HydrophobicContact CD1-CD1 3.87Å; L76-F89 HydrophobicContact CD1-CE1 4.26Å; L76-F89 HydrophobicContact CD1-CG 4.48Å; Q77-F89 HydrophobicContact CB-CD2 4.15Å; Q77-F89 HydrophobicContact CB-CE2 3.82Å; F89-T93 WeakPolarHBondContact O-CB 3.45Å; F89-T93 VanDerWaalsContact O-CG2 3.24Å; F89-T93 WeakPolarHBondContact O-CG2 3.29Å; F89-T93 PolarHBondContact O-N 2.88Å; F89-T93 PolarHBondContact O-OG1 2.89Å; F89-I104 HydrophobicContact CD1-CD1 4.14Å; F89-I104 HydrophobicContact CE1-CD1 4.05Å; F89-D106 HydrophobicContact CE1-CB 3.84Å; F89-D106 HydrophobicContact CZ-CB 3.85Å; F89-W123 AromaticContact CZ-CD1 3.85Å; F89-R126 HydrophobicContact CD2-CB 4.39Å; F89-A127 HydrophobicContact CD1-CB 3.88Å; F89-A127 HydrophobicContact CD2-CB 3.9Å; F89-A127 HydrophobicContact CE1-CB 3.8Å; F89-A127 HydrophobicContact CE2-CB 3.79Å; F89-A127 HydrophobicContact CG-CB 3.95Å; F89-A127 HydrophobicContact CZ-CB 3.77Å; F89-A130 HydrophobicContact CB-CB 3.8Å
90C98.1Very high96Very high33 Ų3326.9 Ų26.922%0.22317%0.167CC..Hα-helixtrans-74.5-54.7177.9173.50000110.7D88 T93 K94 A130D88-C90 PolarHBondContact O-N 2.68Å; D88-C90 WeakPolarHBondContact OD1-CA 3.32Å; D88-C90 WeakPolarHBondContact OD1-CB 3.26Å; D88-C90 PolarHBondContact OD1-N 2.76Å; C90-T93 PolarHBondContact O-OG1 3.25Å; C90-K94 VanDerWaalsContact O-CB 3.28Å; C90-K94 WeakPolarHBondContact O-CB 3.31Å; C90-K94 PolarHBondContact O-N 2.94Å; C90-K94 VanDerWaalsContact O-N 3.09Å; C90-A130 WeakPolarHBondContact CA-O 3.12Å; C90-A130 HydrophobicContact CB-CB 4.14Å
91Q98.2Very high96.5Very high32 Ų3225.7 Ų25.715%0.1516%0.16CC..Hα-helixtrans-69.4-45-176.4-169.370.516.400111.7D87 D88 T93 K94 A95 N426D87-Q91 HydrophobicContact CB-CB 4.49Å; D87-Q91 VanDerWaalsContact OD1-CG 3.24Å; D87-Q91 WeakPolarHBondContact OD1-CG 3.4Å; D88-Q91 PolarHBondContact O-N 3.28Å; D88-Q91 PolarHBondContact OD1-N 3.49Å; Q91-T93 PolarHBondContact O-N 2.89Å; Q91-K94 WeakPolarHBondContact O-CB 3.35Å; Q91-K94 PolarHBondContact O-N 3.42Å; Q91-A95 WeakPolarHBondContact O-CB 3.3Å; Q91-A95 PolarHBondContact O-N 3.46Å; Q91-N426 VanDerWaalsContact NE2-C 3.35Å; Q91-N426 PolarHBondContact NE2-O 3.04Å
92G98.4Very high97.2Very high0 Ų021.4 Ų21.40%014%0.138CC..Hα-helixtrans-61.9-44.7179.600000112.9D88 A95 A96D88-G92 WeakPolarHBondContact O-CA 3.47Å; D88-G92 PolarHBondContact O-N 3Å; G92-A95 WeakPolarHBondContact O-CB 3.29Å; G92-A95 PolarHBondContact O-N 2.88Å; G92-A96 WeakPolarHBondContact O-CB 3.45Å; G92-A96 PolarHBondContact O-N 2.92Å
93T98.8Very high97.8Very high0 Ų017.8 Ų17.80%010%0.101CC..Hα-helixtrans-71.6-30.5176.4590000113.1L76 F89 C90 Q91 A96 L97 I104 A131 C132L76-T93 HydrophobicContact CD1-CG2 4.5Å; F89-T93 WeakPolarHBondContact O-CB 3.45Å; F89-T93 VanDerWaalsContact O-CG2 3.24Å; F89-T93 WeakPolarHBondContact O-CG2 3.29Å; F89-T93 PolarHBondContact O-N 2.88Å; F89-T93 PolarHBondContact O-OG1 2.89Å; C90-T93 PolarHBondContact O-OG1 3.25Å; Q91-T93 PolarHBondContact O-N 2.89Å; T93-A96 WeakPolarHBondContact O-CB 3.28Å; T93-A96 PolarHBondContact O-N 2.88Å; T93-L97 WeakPolarHBondContact O-CG 3.42Å; T93-L97 PolarHBondContact O-N 2.83Å; T93-I104 HydrophobicContact CG2-CD1 3.54Å; T93-I104 HydrophobicContact CG2-CG1 4.14Å; T93-A131 HydrophobicContact CG2-CB 4.14Å; T93-C132 WeakPolarHBondContact OG1-CB 3.44Å; T93-C132 PolarHBondContact OG1-N 2.87Å
94K98.5Very high98.1Very high55 Ų5516.1 Ų16.124%0.2399%0.093CC..Hα-helixtrans-62.8-43.4169173.9-173.7168.7-160.30111.1C90 Q91 L97 A98 M459 V461C90-K94 VanDerWaalsContact O-CB 3.28Å; C90-K94 WeakPolarHBondContact O-CB 3.31Å; C90-K94 PolarHBondContact O-N 2.94Å; C90-K94 VanDerWaalsContact O-N 3.09Å; Q91-K94 WeakPolarHBondContact O-CB 3.35Å; Q91-K94 PolarHBondContact O-N 3.42Å; K94-L97 PolarHBondContact O-N 2.85Å; K94-A98 PolarHBondContact O-N 3.33Å; K94-M459 HydrophobicContact CG-CE 3.99Å; K94-M459 WeakPolarHBondContact O-CE 3.37Å; K94-V461 HydrophobicContact CB-CG2 4.34Å; K94-V461 HydrophobicContact CD-CG2 4.09Å; K94-V461 HydrophobicContact CG-CG2 3.94Å
95A98.6Very high98.4Very high0 Ų011.7 Ų11.70%07%0.065CC..Hα-helixtrans-65.1-41.5175.600000112.2Q91 G92 L97 A98 G99 I358 E359 N426 L427Q91-A95 WeakPolarHBondContact O-CB 3.3Å; Q91-A95 PolarHBondContact O-N 3.46Å; G92-A95 WeakPolarHBondContact O-CB 3.29Å; G92-A95 PolarHBondContact O-N 2.88Å; A95-L97 VanDerWaalsContact C-N 3.33Å; A95-L97 PolarHBondContact O-N 2.9Å; A95-A98 WeakPolarHBondContact O-CB 3.45Å; A95-A98 PolarHBondContact O-N 3.49Å; A95-A98 VanDerWaalsContact O-N 3.16Å; A95-G99 PolarHBondContact O-N 2.85Å; A95-I358 HydrophobicContact CB-CG2 3.85Å; A95-E359 HydrophobicContact CB-CB 4.21Å; A95-E359 WeakPolarHBondContact O-CA 3.43Å; A95-E359 WeakPolarHBondContact O-CB 3.28Å; A95-N426 HydrophobicContact CB-CB 4.19Å; A95-N426 WeakPolarHBondContact CB-O 3.49Å; A95-L427 HydrophobicContact CB-CD2 3.43Å; A95-L427 VanDerWaalsContact CB-CD2 3.43Å; A95-L427 HydrophobicContact CB-CG 4.46Å
96A98.9Very high98.5Very high0 Ų011.1 Ų11.10%06%0.061CC..Hα-helixtrans-53.3-50.7171.700000111.1G92 T93 A98 G99 G100 T101 I104 I358G92-A96 WeakPolarHBondContact O-CB 3.45Å; G92-A96 PolarHBondContact O-N 2.92Å; T93-A96 WeakPolarHBondContact O-CB 3.28Å; T93-A96 PolarHBondContact O-N 2.88Å; A96-A98 PolarHBondContact O-N 3.43Å; A96-G99 CarbonylContact O-C 3.55Å; A96-G99 WeakPolarHBondContact O-CA 3.41Å; A96-G99 PolarHBondContact O-N 2.8Å; A96-G99 VanDerWaalsContact O-N 3.11Å; A96-G100 PolarHBondContact O-N 2.82Å; A96-G100 VanDerWaalsContact O-N 3.13Å; A96-T101 CarbonylContact C-O 3.57Å; A96-T101 HydrophobicContact CB-CG2 3.97Å; A96-T101 WeakPolarHBondContact O-CA 3.35Å; A96-T101 WeakPolarHBondContact O-CB 3.34Å; A96-T101 PolarHBondContact O-N 3.36Å; A96-T101 VanDerWaalsContact O-O 3.14Å; A96-I104 HydrophobicContact CB-CG2 4.13Å; A96-I358 HydrophobicContact CB-CD1 3.92Å; A96-I358 HydrophobicContact CB-CG1 3.79Å
97L98.9Very high98.6Very high0 Ų010.2 Ų10.20%05%0.054CC..Hα-helixtrans-63.4-37.6177.7-72.9175.2000112.7T93 K94 A95 G99 G100 T101 T102 C132 C133 V446 V453 M459 V461T93-L97 WeakPolarHBondContact O-CG 3.42Å; T93-L97 PolarHBondContact O-N 2.83Å; K94-L97 PolarHBondContact O-N 2.85Å; A95-L97 VanDerWaalsContact C-N 3.33Å; A95-L97 PolarHBondContact O-N 2.9Å; L97-G99 PolarHBondContact O-N 3.48Å; L97-G100 PolarHBondContact O-N 2.89Å; L97-G100 VanDerWaalsContact O-N 3.14Å; L97-T101 WeakPolarHBondContact CA-O 3.41Å; L97-T101 PolarHBondContact N-O 3.41Å; L97-T102 HydrophobicContact CD2-CG2 4.1Å; L97-C132 HydrophobicContact CD1-CB 3.95Å; L97-C133 HydrophobicContact CD1-CB 4.01Å; L97-C133 HydrophobicContact CD2-CB 3.78Å; L97-C133 HydrophobicContact CG-CB 3.86Å; L97-V446 HydrophobicContact CD2-CG1 4.13Å; L97-V446 WeakPolarHBondContact O-CG2 3.33Å; L97-V453 HydrophobicContact CB-CG2 4.46Å; L97-V453 HydrophobicContact CD1-CB 4.28Å; L97-V453 HydrophobicContact CD1-CG2 4.03Å; L97-V453 HydrophobicContact CD2-CG2 3.83Å; L97-V453 HydrophobicContact CG-CG2 4.34Å; L97-M459 HydrophobicContact CB-CE 3.79Å; L97-V461 HydrophobicContact CD1-CG1 3.65Å
98A98.6Very high98.6Very high4 Ų410.2 Ų10.23%0.0335%0.054CC..Hα-helixtrans-62.5-30.6174.700000112.6K94 A95 A96 E359 N426 P443 M459K94-A98 PolarHBondContact O-N 3.33Å; A95-A98 WeakPolarHBondContact O-CB 3.45Å; A95-A98 PolarHBondContact O-N 3.49Å; A95-A98 VanDerWaalsContact O-N 3.16Å; A96-A98 PolarHBondContact O-N 3.43Å; A98-E359 HydrophobicContact CB-CG 4.2Å; A98-N426 HydrophobicContact CB-CB 4.3Å; A98-N426 WeakPolarHBondContact CB-ND2 3.47Å; A98-P443 VanDerWaalsContact O-CG 3.27Å; A98-P443 WeakPolarHBondContact O-CG 3.46Å; A98-M459 HydrophobicContact CB-CE 4.05Å; A98-M459 HydrophobicContact CB-SD 3.83Å
99G98.3Very high98.5Very high2 Ų27.9 Ų7.92%0.0214%0.04CC..THydrogen-bonded Turntrans-85.6-6.5174.400000116A95 A96 L97 E359A95-G99 PolarHBondContact O-N 2.85Å; A96-G99 CarbonylContact O-C 3.55Å; A96-G99 WeakPolarHBondContact O-CA 3.41Å; A96-G99 PolarHBondContact O-N 2.8Å; A96-G99 VanDerWaalsContact O-N 3.11Å; L97-G99 PolarHBondContact O-N 3.48Å; G99-E359 WeakPolarHBondContact CA-O 3.36Å
100G98.6Very high98.3Very high0 Ų07.9 Ų7.90%04%0.04CC..THydrogen-bonded Turntrans89.82.4-174.600000115.4G69 A96 L97 M362 V410G69-G100 PolarHBondContact N-O 3.02Å; A96-G100 PolarHBondContact O-N 2.82Å; A96-G100 VanDerWaalsContact O-N 3.13Å; L97-G100 PolarHBondContact O-N 2.89Å; L97-G100 VanDerWaalsContact O-N 3.14Å; G100-M362 VanDerWaalsContact O-SD 3.32Å; G100-V410 WeakPolarHBondContact O-CG2 3.42Å
101T98.9Very high97.9Very high0 Ų010 Ų100%05%0.05CC..EExtended strand (participates in β ladder)trans-80.6120.2171.6-63.80000109.7G69 D71 A96 L97 M103 I104 R361G69-T101 CarbonylContact O-C 3.51Å; G69-T101 WeakPolarHBondContact O-CA 3.32Å; G69-T101 WeakPolarHBondContact O-CG2 3.45Å; D71-T101 HydrophobicContact CB-CG2 3.76Å; A96-T101 CarbonylContact C-O 3.57Å; A96-T101 HydrophobicContact CB-CG2 3.97Å; A96-T101 WeakPolarHBondContact O-CA 3.35Å; A96-T101 WeakPolarHBondContact O-CB 3.34Å; A96-T101 PolarHBondContact O-N 3.36Å; A96-T101 VanDerWaalsContact O-O 3.14Å; L97-T101 WeakPolarHBondContact CA-O 3.41Å; L97-T101 PolarHBondContact N-O 3.41Å; T101-M103 VanDerWaalsContact CG2-O 3.26Å; T101-M103 WeakPolarHBondContact CG2-O 3.29Å; T101-I104 HydrophobicContact CG2-CG2 4.37Å; T101-R361 PolarHBondContact OG1-NH2 3.07Å
102T98.9Very high97.4Very high2 Ų214.2 Ų14.21%0.0128%0.077CC..EExtended strand (participates in β ladder)trans-108.9-4-177.258.50000113.8G68 G69 L97 C133 D408 V446G68-T102 VanDerWaalsContact CA-OG1 3.27Å; G68-T102 WeakPolarHBondContact CA-OG1 3.21Å; G69-T102 PolarHBondContact O-N 3.04Å; L97-T102 HydrophobicContact CD2-CG2 4.1Å; T102-C133 WeakPolarHBondContact O-CB 3.27Å; T102-D408 HydrophobicContact CG2-CB 4.38Å; T102-V446 HydrophobicContact CG2-CG1 3.8Å
103M98.9Very high96.9Very high0 Ų018.1 Ų18.10%012%0.118CC..EExtended strand (participates in β ladder)trans-140.6140.9168.9-175.9-178.8179.500111.7G69 V70 D71 T101 L105 D134 F394 K398 I469G69-M103 PolarHBondContact O-N 3.48Å; V70-M103 WeakPolarHBondContact CA-O 3.33Å; V70-M103 HydrophobicContact CG1-CB 4.4Å; V70-M103 HydrophobicContact CG1-CG 4.48Å; V70-M103 HydrophobicContact CG1-SD 4.4Å; V70-M103 HydrophobicContact CG2-CB 4.34Å; D71-M103 PolarHBondContact N-O 3.34Å; T101-M103 VanDerWaalsContact CG2-O 3.26Å; T101-M103 WeakPolarHBondContact CG2-O 3.29Å; M103-L105 HydrophobicContact CE-CD1 3.85Å; M103-L105 HydrophobicContact CE-CG 4.31Å; M103-L105 HydrophobicContact CG-CD1 4.38Å; M103-L105 HydrophobicContact SD-CD1 4.31Å; M103-D134 VanDerWaalsContact CA-O 3.24Å; M103-D134 WeakPolarHBondContact CA-O 3.33Å; M103-D134 WeakPolarHBondContact CG-O 3.38Å; M103-F394 HydrophobicContact CE-CE1 4.02Å; M103-F394 HydrophobicContact CE-CE2 4.42Å; M103-F394 HydrophobicContact CE-CZ 3.96Å; M103-F394 HydrophobicContact SD-CD2 4.24Å; M103-F394 HydrophobicContact SD-CE1 4.27Å; M103-F394 HydrophobicContact SD-CE2 3.62Å; M103-F394 HydrophobicContact SD-CZ 3.63Å; M103-K398 HydrophobicContact CB-CD 4.22Å; M103-K398 HydrophobicContact CG-CD 4.29Å; M103-K398 HydrophobicContact SD-CD 3.31Å; M103-K398 WeakPolarHBondContact SD-CD 3.33Å; M103-K398 VanDerWaalsContact SD-CE 3.58Å; M103-I469 HydrophobicContact CE-CB 3.8Å; M103-I469 HydrophobicContact CE-CG1 3.95Å; M103-I469 HydrophobicContact CE-CG2 4.18Å; M103-I469 HydrophobicContact SD-CG1 4.45Å
104I98.9Very high96.7Very high0 Ų020.6 Ų20.60%013%0.133CC..EExtended strand (participates in β ladder)trans-116.9154.3170.167166000111.8D71 T74 L76 F89 T93 A96 T101 D134 Y135 S136 I358D71-I104 HydrophobicContact CB-CG2 4.43Å; D71-I104 CarbonylContact O-C 3.52Å; D71-I104 VanDerWaalsContact O-CA 3.31Å; D71-I104 WeakPolarHBondContact O-CA 3.44Å; T74-I104 HydrophobicContact CG2-CB 4Å; T74-I104 HydrophobicContact CG2-CG2 4.1Å; L76-I104 HydrophobicContact CD1-CD1 3.6Å; F89-I104 HydrophobicContact CD1-CD1 4.14Å; F89-I104 HydrophobicContact CE1-CD1 4.05Å; T93-I104 HydrophobicContact CG2-CD1 3.54Å; T93-I104 HydrophobicContact CG2-CG1 4.14Å; A96-I104 HydrophobicContact CB-CG2 4.13Å; T101-I104 HydrophobicContact CG2-CG2 4.37Å; I104-D134 PolarHBondContact N-O 3.36Å; I104-Y135 CarbonylContact O-C 3.49Å; I104-Y135 WeakPolarHBondContact O-CA 3.36Å; I104-S136 PolarHBondContact O-N 2.9Å; I104-I358 HydrophobicContact CG2-CD1 4.08Å
105L98.9Very high96.6Very high0 Ų020 Ų200%014%0.136CC..EExtended strand (participates in β ladder)trans-120.9110.9164.3-69.376.7000108.4V70 D71 V72 T74 M103 S136 H138 F392 F394V70-L105 HydrophobicContact CG1-CD1 3.71Å; D71-L105 WeakPolarHBondContact O-CD1 3.42Å; D71-L105 PolarHBondContact O-N 2.81Å; V72-L105 HydrophobicContact CG1-CD1 4.42Å; T74-L105 PolarHBondContact N-O 2.98Å; T74-L105 PolarHBondContact OG1-O 2.74Å; M103-L105 HydrophobicContact CE-CD1 3.85Å; M103-L105 HydrophobicContact CE-CG 4.31Å; M103-L105 HydrophobicContact CG-CD1 4.38Å; M103-L105 HydrophobicContact SD-CD1 4.31Å; L105-S136 WeakPolarHBondContact CA-O 3.45Å; L105-H138 WeakPolarHBondContact CB-NE2 3.35Å; L105-H138 VanDerWaalsContact CD2-CE1 3.46Å; L105-H138 WeakPolarHBondContact CD2-CE1 3.49Å; L105-H138 WeakPolarHBondContact CD2-NE2 3.4Å; L105-F392 HydrophobicContact CD2-CB 4.22Å; L105-F392 HydrophobicContact CD2-CD1 4.36Å; L105-F392 HydrophobicContact CD2-CD2 3.98Å; L105-F392 HydrophobicContact CD2-CE2 4.48Å; L105-F392 HydrophobicContact CD2-CG 3.93Å; L105-F394 HydrophobicContact CD1-CE1 4.47Å; L105-F394 HydrophobicContact CD1-CZ 4.18Å; L105-F394 HydrophobicContact CD2-CE1 4.44Å
106D98.9Very high96.5Very high0 Ų020.4 Ų20.40%014%0.138CC..EExtended strand (participates in β ladder)trans-95.4150.9-176.7-155-102.9000111.5T74 R75 L76 F89 W123 S136 L137 H138T74-D106 WeakPolarHBondContact CB-OD2 3.38Å; T74-D106 WeakPolarHBondContact O-CA 3.42Å; T74-D106 VanDerWaalsContact O-OD2 3.14Å; T74-D106 VanDerWaalsContact OG1-CA 3.32Å; T74-D106 WeakPolarHBondContact OG1-CA 3.44Å; T74-D106 WeakPolarHBondContact OG1-CB 3.44Å; T74-D106 PolarHBondContact OG1-OD2 3.05Å; R75-D106 WeakPolarHBondContact CA-OD2 3.45Å; R75-D106 PolarHBondContact N-OD2 3.49Å; L76-D106 PolarHBondContact N-OD2 3.4Å; F89-D106 HydrophobicContact CE1-CB 3.84Å; F89-D106 HydrophobicContact CZ-CB 3.85Å; D106-W123 PolarHBondContact OD1-NE1 3.26Å; D106-S136 PolarHBondContact N-O 3.32Å; D106-L137 HydrophobicContact CB-CD2 3.95Å; D106-L137 CarbonylContact O-C 3.5Å; D106-L137 WeakPolarHBondContact O-CA 3.38Å; D106-H138 PolarHBondContact O-N 2.75Å
107H98.6Very high96.5Very high0 Ų022.7 Ų22.70%015%0.15CC..EExtended strand (participates in β ladder)trans-90.4114.9177-76.6-96.8000112H73 T74 R75 F109 W123 H138 D140 Q196H73-H107 AromaticContact CD2-CD2 3.52Å; H73-H107 AromaticContact CD2-NE2 3.5Å; H73-H107 AromaticContact CE1-NE2 3.78Å; H73-H107 AromaticContact CG-NE2 3.71Å; H73-H107 AromaticContact ND1-NE2 3.9Å; H73-H107 AromaticContact NE2-CD2 3.76Å; H73-H107 AromaticContact NE2-NE2 3.58Å; T74-H107 PolarHBondContact O-N 3.22Å; R75-H107 HydrophobicContact CG-CB 4.24Å; R75-H107 PolarHBondContact NH2-ND1 2.9Å; H107-F109 PolarHBondContact O-N 2.8Å; H107-W123 WeakPolarHBondContact O-CZ2 3.32Å; H107-W123 PolarHBondContact O-NE1 3.37Å; H107-W123 VanDerWaalsContact O-NE1 3.15Å; H107-H138 AromaticContact CE1-CD2 3.84Å; H107-H138 AromaticContact NE2-CD2 3.59Å; H107-D140 IonicContact CE1-OD1 3.29Å; H107-D140 IonicContact CG-OD1 3.82Å; H107-D140 IonicContact ND1-OD1 3.33Å; H107-D140 PolarHBondContact ND1-OD1 2.86Å; H107-D140 IonicContact ND1-OD2 3.53Å; H107-Q196 PolarHBondContact CE1-OE1 2.99Å
108V98.5Very high96.4Very high0 Ų025.6 Ų25.60%017%0.17CC..EExtended strand (participates in β ladder)trans-71.6110166.8-179.80000108.4P110 A119 W123 L137 H138 V139 D140V108-P110 WeakPolarHBondContact O-CD 3.39Å; V108-A119 VanDerWaalsContact CG1-C 3.49Å; V108-A119 HydrophobicContact CG1-CB 3.7Å; V108-W123 HydrophobicContact CB-CD2 4.27Å; V108-W123 HydrophobicContact CB-CG 4.27Å; V108-W123 HydrophobicContact CG1-CD2 4.08Å; V108-W123 HydrophobicContact CG1-CE3 3.99Å; V108-W123 HydrophobicContact CG1-CG 4.34Å; V108-W123 HydrophobicContact CG2-CB 3.78Å; V108-W123 HydrophobicContact CG2-CD2 4.25Å; V108-W123 HydrophobicContact CG2-CG 3.73Å; V108-L137 HydrophobicContact CG2-CB 3.87Å; V108-L137 HydrophobicContact CG2-CD1 3.86Å; V108-L137 HydrophobicContact CG2-CD2 4Å; V108-L137 HydrophobicContact CG2-CG 4.12Å; V108-H138 WeakPolarHBondContact CB-O 3.19Å; V108-H138 WeakPolarHBondContact CG2-O 3.19Å; V108-H138 PolarHBondContact N-O 3.48Å; V108-V139 HydrophobicContact CB-CG2 4.11Å; V108-V139 HydrophobicContact CG2-CG2 4.23Å; V108-D140 WeakPolarHBondContact O-CB 3.38Å; V108-D140 PolarHBondContact O-N 3.08Å
109F96.1Very high96.4Very high34 Ų3425.4 Ų25.415%0.14917%0.169CC..  trans-105.8104.8179.7-169.1-87.6000110.4M78 H107 D111 W123 D140 T142 F167M78-F109 HydrophobicContact CG-CB 3.91Å; M78-F109 HydrophobicContact CG-CD1 4.42Å; M78-F109 HydrophobicContact CG-CD2 4.47Å; M78-F109 HydrophobicContact CG-CG 4.02Å; M78-F109 HydrophobicContact SD-CB 4.39Å; M78-F109 HydrophobicContact SD-CD2 4.06Å; M78-F109 HydrophobicContact SD-CG 4.21Å; H107-F109 PolarHBondContact O-N 2.8Å; F109-D111 PolarHBondContact O-N 2.82Å; F109-W123 HydrophobicContact CB-CH2 4.02Å; F109-W123 HydrophobicContact CB-CZ2 4.16Å; F109-W123 WeakPolarHBondContact O-CH2 3.44Å; F109-W123 WeakPolarHBondContact O-CZ3 3.41Å; F109-D140 HydrophobicContact CD2-CB 4.16Å; F109-T142 HydrophobicContact CD2-CG2 4Å; F109-T142 HydrophobicContact CE1-CG2 4.19Å; F109-T142 HydrophobicContact CE2-CG2 3.56Å; F109-T142 HydrophobicContact CZ-CG2 3.66Å; F109-F167 HydrophobicContact CD2-CZ 4.26Å; F109-F167 HydrophobicContact CE2-CE2 4.32Å; F109-F167 AromaticContact CE2-CZ 3.9Å; F109-F167 HydrophobicContact CE2-CZ 3.9Å
110P94.1Very high96.4Very high3 Ų325.5 Ų25.52%0.01917%0.168CC..PPolyproline II helixtrans-72.1125.6-178.829.4-35.8000111.9V108 L116 A119 D140 T142V108-P110 WeakPolarHBondContact O-CD 3.39Å; P110-L116 HydrophobicContact CB-CD2 4.18Å; P110-L116 HydrophobicContact CG-CD2 3.69Å; P110-A119 HydrophobicContact CB-CB 3.8Å; P110-D140 WeakPolarHBondContact CD-O 3.32Å; P110-D140 VanDerWaalsContact CG-O 3.29Å; P110-D140 WeakPolarHBondContact CG-O 3.4Å; P110-T142 HydrophobicContact CG-CG2 3.96Å
111D90.1Very high96.4Very high79 Ų7929.3 Ų29.342%0.42219%0.186SC..PPolyproline II helixtrans-61.3155.8169.3-78.7-45.6000111.8F109 G113 V114F109-D111 PolarHBondContact O-N 2.82Å; D111-G113 PolarHBondContact O-N 3.38Å; D111-G113 VanDerWaalsContact O-N 3.12Å; D111-V114 HydrophobicContact CB-CB 4.44Å; D111-V114 HydrophobicContact CB-CG2 3.85Å; D111-V114 WeakPolarHBondContact O-CB 3.37Å; D111-V114 PolarHBondContact O-N 3.09Å
112T86.6Confident96.3Very high119 Ų11932.6 Ų32.673%0.7320%0.202SC*.THydrogen-bonded Turntrans-61.3118.6-178.7-66.90000111.2
113G87.7Confident96.3Very high83 Ų8332.7 Ų32.786%0.85620%0.202SC*.THydrogen-bonded Turntrans91.9-2.9-178.300000114.7D111D111-G113 PolarHBondContact O-N 3.38Å; D111-G113 VanDerWaalsContact O-N 3.12Å
114V94.1Very high96.2Very high52 Ų5235 Ų3532%0.31521%0.211SC..  trans-91.7137.4172.2-175.80000109.4D111 A119D111-V114 HydrophobicContact CB-CB 4.44Å; D111-V114 HydrophobicContact CB-CG2 3.85Å; D111-V114 WeakPolarHBondContact O-CB 3.37Å; D111-V114 PolarHBondContact O-N 3.09Å; V114-A119 HydrophobicContact CG1-CB 4.25Å
115S96.4Very high96.2Very high42 Ų4241.9 Ų41.929%0.29424%0.243SC..  trans-73.1154.1176.7700000111.8L117 S118 A119 E151S115-L117 VanDerWaalsContact C-N 3.26Å; S115-L117 PolarHBondContact O-N 3.09Å; S115-S118 PolarHBondContact O-N 2.76Å; S115-S118 VanDerWaalsContact OG-CB 3.29Å; S115-S118 WeakPolarHBondContact OG-CB 3.32Å; S115-S118 PolarHBondContact OG-N 3.36Å; S115-S118 PolarHBondContact OG-OG 2.59Å; S115-A119 PolarHBondContact O-N 3.3Å; S115-E151 WeakPolarHBondContact CB-OE1 3.44Å; S115-E151 VanDerWaalsContact CB-OE2 3.27Å; S115-E151 WeakPolarHBondContact CB-OE2 3.4Å
116L97.8Very high96.1Very high9 Ų947 Ų475%0.04726%0.262CS..Hα-helixtrans-59.8-39.5179.9-57-169.9000111.5P110 A119 Y120 V139 I148 E151 L152 L155P110-L116 HydrophobicContact CB-CD2 4.18Å; P110-L116 HydrophobicContact CG-CD2 3.69Å; L116-A119 PolarHBondContact O-N 3.03Å; L116-Y120 WeakPolarHBondContact O-CB 3.38Å; L116-Y120 PolarHBondContact O-N 3.4Å; L116-V139 HydrophobicContact CB-CG1 4.16Å; L116-V139 HydrophobicContact CD1-CG1 4.3Å; L116-V139 HydrophobicContact CD2-CG1 4.3Å; L116-I148 HydrophobicContact CD1-CG2 3.5Å; L116-I148 VanDerWaalsContact CD1-CG2 3.5Å; L116-I148 HydrophobicContact CG-CG2 4.19Å; L116-E151 WeakPolarHBondContact CA-OE2 3.46Å; L116-E151 HydrophobicContact CB-CB 4.3Å; L116-E151 PolarHBondContact N-OE2 3.25Å; L116-L152 HydrophobicContact CD1-CD2 3.76Å; L116-L155 HydrophobicContact CB-CD1 3.83Å; L116-L155 HydrophobicContact CD1-CD1 4.31Å
117L97.7Very high96.1Very high47 Ų4747 Ų4725%0.24626%0.262CS..Hα-helixtrans-63.9-45175.7-75168.2000112.1S115 A119 Y120 E121 E151 A154 L155 K159S115-L117 VanDerWaalsContact C-N 3.26Å; S115-L117 PolarHBondContact O-N 3.09Å; L117-A119 VanDerWaalsContact C-N 3.35Å; L117-A119 PolarHBondContact O-N 3.11Å; L117-Y120 PolarHBondContact O-N 2.99Å; L117-E121 WeakPolarHBondContact O-CG 3.33Å; L117-E121 PolarHBondContact O-N 2.86Å; L117-E151 HydrophobicContact CD1-CB 4.3Å; L117-E151 HydrophobicContact CD1-CG 4.15Å; L117-E151 HydrophobicContact CG-CB 4.24Å; L117-E151 HydrophobicContact CG-CG 4.41Å; L117-E151 PolarHBondContact N-OE2 3.28Å; L117-A154 HydrophobicContact CD1-CB 3.98Å; L117-A154 HydrophobicContact CD2-CB 3.95Å; L117-A154 HydrophobicContact CG-CB 4.49Å; L117-L155 HydrophobicContact CD2-CD2 3.87Å; L117-L155 HydrophobicContact CD2-CG 3.85Å; L117-L155 HydrophobicContact CG-CG 4.47Å; L117-K159 HydrophobicContact CD2-CG 4.27Å
118S97.8Very high96.1Very high61 Ų6150 Ų5043%0.42728%0.278SS..Hα-helixtrans-69-32.8179.1-67.40000112.5S115 Q122S115-S118 PolarHBondContact O-N 2.76Å; S115-S118 VanDerWaalsContact OG-CB 3.29Å; S115-S118 WeakPolarHBondContact OG-CB 3.32Å; S115-S118 PolarHBondContact OG-N 3.36Å; S115-S118 PolarHBondContact OG-OG 2.59Å; S118-Q122 WeakPolarHBondContact O-CG 3.44Å; S118-Q122 PolarHBondContact O-N 3.13Å; S118-Q122 PolarHBondContact O-NE2 2.97Å
119A97.9Very high96Very high1 Ų153.9 Ų53.91%0.00831%0.305CS..Hα-helixtrans-67.8-43.4171.600000111.1V108 P110 V114 S115 L116 L117 E121 Q122 W123V108-A119 VanDerWaalsContact CG1-C 3.49Å; V108-A119 HydrophobicContact CG1-CB 3.7Å; P110-A119 HydrophobicContact CB-CB 3.8Å; V114-A119 HydrophobicContact CG1-CB 4.25Å; S115-A119 PolarHBondContact O-N 3.3Å; L116-A119 PolarHBondContact O-N 3.03Å; L117-A119 VanDerWaalsContact C-N 3.35Å; L117-A119 PolarHBondContact O-N 3.11Å; A119-E121 PolarHBondContact O-N 3.46Å; A119-Q122 PolarHBondContact O-N 3.47Å; A119-W123 PolarHBondContact O-N 3.1Å
120Y98.6Very high96.1Very high3 Ų353 Ų531%0.01230%0.304CS..Hα-helixtrans-58.9-46.7177.2166.5-87.5000112.3L116 L117 Q122 W123 R124 L137 V139 L155 K159 V161 F468L116-Y120 WeakPolarHBondContact O-CB 3.38Å; L116-Y120 PolarHBondContact O-N 3.4Å; L117-Y120 PolarHBondContact O-N 2.99Å; Y120-Q122 VanDerWaalsContact C-N 3.35Å; Y120-Q122 PolarHBondContact O-N 2.9Å; Y120-W123 PolarHBondContact O-N 3.08Å; Y120-R124 HydrophobicContact CD1-CG 4.16Å; Y120-R124 HydrophobicContact CD2-CG 4.38Å; Y120-R124 HydrophobicContact CE1-CG 3.56Å; Y120-R124 HydrophobicContact CE2-CG 3.84Å; Y120-R124 WeakPolarHBondContact O-CG 3.22Å; Y120-R124 PolarHBondContact O-N 3.04Å; Y120-R124 PolarHBondContact OH-NH1 2.97Å; Y120-L137 HydrophobicContact CD2-CD1 3.89Å; Y120-L137 HydrophobicContact CE2-CB 4.43Å; Y120-L137 HydrophobicContact CE2-CD1 3.77Å; Y120-V139 HydrophobicContact CD2-CG2 4.5Å; Y120-L155 HydrophobicContact CD1-CD2 4.27Å; Y120-L155 HydrophobicContact CD2-CD2 4.01Å; Y120-L155 HydrophobicContact CG-CD2 3.74Å; Y120-K159 HydrophobicContact CD1-CB 4.34Å; Y120-K159 HydrophobicContact CD1-CD 4.34Å; Y120-K159 HydrophobicContact CD1-CG 4.19Å; Y120-K159 HydrophobicContact CE1-CB 3.75Å; Y120-K159 HydrophobicContact CE1-CD 3.78Å; Y120-K159 HydrophobicContact CE1-CG 3.86Å; Y120-K159 HydrophobicContact CE2-CB 4.16Å; Y120-K159 PolarHBondContact OH-O 2.75Å; Y120-V161 HydrophobicContact CD2-CG2 4.01Å; Y120-V161 HydrophobicContact CE2-CG2 3.82Å; Y120-F468 HydrophobicContact CE2-CE2 4.45Å; Y120-F468 HydrophobicContact CE2-CZ 4.26Å; Y120-F468 WeakPolarHBondContact OH-CZ 3.49Å
121E98.4Very high96.3Very high80 Ų8052.9 Ų52.937%0.37430%0.303SS..Hα-helixtrans-64.9-37.6179.2-62.4-58.4164.300112.2L117 A119 W123 R124 E125 K159L117-E121 WeakPolarHBondContact O-CG 3.33Å; L117-E121 PolarHBondContact O-N 2.86Å; A119-E121 PolarHBondContact O-N 3.46Å; E121-W123 VanDerWaalsContact C-N 3.33Å; E121-W123 PolarHBondContact O-N 2.9Å; E121-R124 PolarHBondContact O-N 2.71Å; E121-E125 PolarHBondContact O-N 2.62Å; E121-K159 VanDerWaalsContact OE1-CE 3.31Å; E121-K159 WeakPolarHBondContact OE1-CE 3.43Å; E121-K159 IonicContact OE1-NZ 2.72Å; E121-K159 PolarHBondContact OE1-NZ 2.81Å
122Q97.3Very high96.7Very high69 Ų6949.3 Ų49.332%0.32229%0.285SS..Hα-helixtrans-64.1-34.1174.7-78175.572.600113.7S118 A119 Y120 R126S118-Q122 WeakPolarHBondContact O-CG 3.44Å; S118-Q122 PolarHBondContact O-N 3.13Å; S118-Q122 PolarHBondContact O-NE2 2.97Å; A119-Q122 PolarHBondContact O-N 3.47Å; Y120-Q122 VanDerWaalsContact C-N 3.35Å; Y120-Q122 PolarHBondContact O-N 2.9Å; Q122-R126 PolarHBondContact O-N 3.43Å; Q122-R126 PolarHBondContact O-NE 2.95Å
123W98.4Very high97.3Very high5 Ų543.7 Ų43.72%0.01925%0.25CC..Hα-helixtrans-72-41.7172.7-107-107.4000111Q77 F89 D106 H107 V108 F109 A119 Y120 E121 R126 A127 L137Q77-W123 VanDerWaalsContact NE2-CE3 3.31Å; Q77-W123 VanDerWaalsContact NE2-CH2 3.34Å; Q77-W123 VanDerWaalsContact NE2-CZ3 3.29Å; F89-W123 AromaticContact CZ-CD1 3.85Å; D106-W123 PolarHBondContact OD1-NE1 3.26Å; H107-W123 WeakPolarHBondContact O-CZ2 3.32Å; H107-W123 PolarHBondContact O-NE1 3.37Å; H107-W123 VanDerWaalsContact O-NE1 3.15Å; V108-W123 HydrophobicContact CB-CD2 4.27Å; V108-W123 HydrophobicContact CB-CG 4.27Å; V108-W123 HydrophobicContact CG1-CD2 4.08Å; V108-W123 HydrophobicContact CG1-CE3 3.99Å; V108-W123 HydrophobicContact CG1-CG 4.34Å; V108-W123 HydrophobicContact CG2-CB 3.78Å; V108-W123 HydrophobicContact CG2-CD2 4.25Å; V108-W123 HydrophobicContact CG2-CG 3.73Å; F109-W123 HydrophobicContact CB-CH2 4.02Å; F109-W123 HydrophobicContact CB-CZ2 4.16Å; F109-W123 WeakPolarHBondContact O-CH2 3.44Å; F109-W123 WeakPolarHBondContact O-CZ3 3.41Å; A119-W123 PolarHBondContact O-N 3.1Å; Y120-W123 PolarHBondContact O-N 3.08Å; E121-W123 VanDerWaalsContact C-N 3.33Å; E121-W123 PolarHBondContact O-N 2.9Å; W123-R126 PolarHBondContact O-N 3.4Å; W123-A127 VanDerWaalsContact O-CB 3.22Å; W123-A127 WeakPolarHBondContact O-CB 3.5Å; W123-A127 PolarHBondContact O-N 2.69Å; W123-L137 HydrophobicContact CB-CD1 4.03Å; W123-L137 HydrophobicContact CB-CD2 4.41Å
124R98.3Very high97.8Very high49 Ų4939.7 Ų39.719%0.18521%0.209CC..Hα-helixtrans-60.5-46.2176.4-76.5-60.5-49.8-74.7-10.6112.4Y120 E121 R126 A127 D128 Y135 L137 F468Y120-R124 HydrophobicContact CD1-CG 4.16Å; Y120-R124 HydrophobicContact CD2-CG 4.38Å; Y120-R124 HydrophobicContact CE1-CG 3.56Å; Y120-R124 HydrophobicContact CE2-CG 3.84Å; Y120-R124 WeakPolarHBondContact O-CG 3.22Å; Y120-R124 PolarHBondContact O-N 3.04Å; Y120-R124 PolarHBondContact OH-NH1 2.97Å; E121-R124 PolarHBondContact O-N 2.71Å; R124-R126 VanDerWaalsContact C-N 3.34Å; R124-R126 PolarHBondContact O-N 2.77Å; R124-A127 PolarHBondContact O-N 3.36Å; R124-D128 IonicContact CZ-OD1 3.52Å; R124-D128 IonicContact CZ-OD2 3.2Å; R124-D128 IonicContact NE-OD1 3.21Å; R124-D128 IonicContact NE-OD2 2.71Å; R124-D128 PolarHBondContact NE-OD2 3.4Å; R124-D128 VanDerWaalsContact NH2-CG 3.33Å; R124-D128 IonicContact NH2-OD1 2.58Å; R124-D128 PolarHBondContact NH2-OD1 3.14Å; R124-D128 IonicContact NH2-OD2 3.69Å; R124-D128 PolarHBondContact NH2-OD2 3.17Å; R124-D128 VanDerWaalsContact O-CB 3.23Å; R124-D128 WeakPolarHBondContact O-CB 3.31Å; R124-D128 VanDerWaalsContact O-CG 3.27Å; R124-D128 PolarHBondContact O-N 2.92Å; R124-Y135 WeakPolarHBondContact CD-OH 3.38Å; R124-Y135 PolarHBondContact NE-OH 3.42Å; R124-L137 HydrophobicContact CG-CD1 3.83Å; R124-F468 VanDerWaalsContact CZ-CG 3.47Å; R124-F468 VanDerWaalsContact NH1-CD1 3.3Å
125E97.8Very high98.1Very high143 Ų14337.2 Ų37.267%0.66819%0.194SC*.Hα-helixtrans-57.1-46.1177.8-177.2179-171.600112E121 S129E121-E125 PolarHBondContact O-N 2.62Å; E125-S129 WeakPolarHBondContact O-CB 3.37Å; E125-S129 PolarHBondContact O-N 2.88Å; E125-S129 PolarHBondContact O-OG 3.43Å
126R97.1Very high98.2Very high109 Ų10935.2 Ų35.241%0.41118%0.18SC..Hα-helixtrans-73.4-38179.9-76.1-177.1-86.8-145.7-0.9112.9Q77 F89 Q122 W123 R124 S129 A130Q77-R126 VanDerWaalsContact CD-NE 3.25Å; F89-R126 HydrophobicContact CD2-CB 4.39Å; Q122-R126 PolarHBondContact O-N 3.43Å; Q122-R126 PolarHBondContact O-NE 2.95Å; W123-R126 PolarHBondContact O-N 3.4Å; R124-R126 VanDerWaalsContact C-N 3.34Å; R124-R126 PolarHBondContact O-N 2.77Å; R126-S129 PolarHBondContact O-OG 3.03Å; R126-A130 VanDerWaalsContact O-CB 3.24Å; R126-A130 WeakPolarHBondContact O-CB 3.45Å; R126-A130 PolarHBondContact O-N 3.15Å
127A98.1Very high98.2Very high0 Ų034.8 Ų34.80%018%0.178CC..Hα-helixtrans-74.5-43.8178.900000112.7F89 W123 R124 S129 A130 A131 Y135F89-A127 HydrophobicContact CD1-CB 3.88Å; F89-A127 HydrophobicContact CD2-CB 3.9Å; F89-A127 HydrophobicContact CE1-CB 3.8Å; F89-A127 HydrophobicContact CE2-CB 3.79Å; F89-A127 HydrophobicContact CG-CB 3.95Å; F89-A127 HydrophobicContact CZ-CB 3.77Å; W123-A127 VanDerWaalsContact O-CB 3.22Å; W123-A127 WeakPolarHBondContact O-CB 3.5Å; W123-A127 PolarHBondContact O-N 2.69Å; R124-A127 PolarHBondContact O-N 3.36Å; A127-S129 PolarHBondContact O-N 2.99Å; A127-A130 PolarHBondContact O-N 3.27Å; A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 2.86Å; A127-Y135 HydrophobicContact CB-CD1 4.35Å; A127-Y135 HydrophobicContact CB-CD2 3.92Å; A127-Y135 HydrophobicContact CB-CE1 3.82Å; A127-Y135 HydrophobicContact CB-CE2 3.31Å; A127-Y135 HydrophobicContact CB-CG 4.4Å; A127-Y135 WeakPolarHBondContact CB-OH 3.25Å
128D98.4Very high98.3Very high63 Ų6332.6 Ų32.634%0.33717%0.166SC..Hα-helixtrans-62.7-27.6177.6-72.9-27.2000112.4R124 Y135 G464R124-D128 IonicContact CZ-OD1 3.52Å; R124-D128 IonicContact CZ-OD2 3.2Å; R124-D128 IonicContact NE-OD1 3.21Å; R124-D128 IonicContact NE-OD2 2.71Å; R124-D128 PolarHBondContact NE-OD2 3.4Å; R124-D128 VanDerWaalsContact NH2-CG 3.33Å; R124-D128 IonicContact NH2-OD1 2.58Å; R124-D128 PolarHBondContact NH2-OD1 3.14Å; R124-D128 IonicContact NH2-OD2 3.69Å; R124-D128 PolarHBondContact NH2-OD2 3.17Å; R124-D128 VanDerWaalsContact O-CB 3.23Å; R124-D128 WeakPolarHBondContact O-CB 3.31Å; R124-D128 VanDerWaalsContact O-CG 3.27Å; R124-D128 PolarHBondContact O-N 2.92Å; D128-Y135 PolarHBondContact N-OH 2.57Å; D128-Y135 PolarHBondContact OD1-OH 2.87Å; D128-G464 WeakPolarHBondContact O-CA 3.44Å
129S97.7Very high98.3Very high80 Ų8029.7 Ų29.756%0.55915%0.146SC*.Hα-helixtrans-88.4-20.2178.554.60000114.6E125 R126 A127 G464E125-S129 WeakPolarHBondContact O-CB 3.37Å; E125-S129 PolarHBondContact O-N 2.88Å; E125-S129 PolarHBondContact O-OG 3.43Å; R126-S129 PolarHBondContact O-OG 3.03Å; A127-S129 PolarHBondContact O-N 2.99Å; S129-G464 PolarHBondContact O-N 2.94Å
130A98.1Very high98.4Very high17 Ų1729.6 Ų29.614%0.1415%0.145CC..Hα-helixtrans-121.9-29.7-170.100000115.2F89 C90 R126 A127 C132 P463 G464F89-A130 HydrophobicContact CB-CB 3.8Å; C90-A130 WeakPolarHBondContact CA-O 3.12Å; C90-A130 HydrophobicContact CB-CB 4.14Å; R126-A130 VanDerWaalsContact O-CB 3.24Å; R126-A130 WeakPolarHBondContact O-CB 3.45Å; R126-A130 PolarHBondContact O-N 3.15Å; A127-A130 PolarHBondContact O-N 3.27Å; A130-C132 PolarHBondContact O-N 3.09Å; A130-P463 WeakPolarHBondContact O-CA 3.16Å; A130-G464 PolarHBondContact O-N 3.01Å
131A98.5Very high98.3Very high0 Ų029.5 Ų29.50%015%0.145CC..  trans-62.6132.5-173.100000112.7T93 A127 Y135 G464 A465 G466T93-A131 HydrophobicContact CG2-CB 4.14Å; A127-A131 WeakPolarHBondContact O-CB 3.38Å; A127-A131 PolarHBondContact O-N 2.86Å; A131-Y135 HydrophobicContact CB-CD1 4.01Å; A131-Y135 HydrophobicContact CB-CE1 4.44Å; A131-G464 CarbonylContact O-C 3.11Å; A131-G464 WeakPolarHBondContact O-CA 3.04Å; A131-G464 PolarHBondContact O-N 2.98Å; A131-A465 PolarHBondContact O-N 3.25Å; A131-A465 VanDerWaalsContact O-N 3.14Å; A131-G466 WeakPolarHBondContact O-CA 3.43Å; A131-G466 PolarHBondContact O-N 2.94Å
132C98.5Very high98.1Very high4 Ų426.5 Ų26.53%0.02713%0.132CC..SBendtrans-90.8-17.7177-64.50000113.1T93 L97 A130 V461T93-C132 WeakPolarHBondContact OG1-CB 3.44Å; T93-C132 PolarHBondContact OG1-N 2.87Å; L97-C132 HydrophobicContact CD1-CB 3.95Å; A130-C132 PolarHBondContact O-N 3.09Å; C132-V461 HydrophobicContact CB-CB 4.04Å; C132-V461 HydrophobicContact CB-CG1 4.23Å
133C98.6Very high97.9Very high0 Ų028.5 Ų28.50%014%0.137CC..SBendtrans-129.1165.6176.374.80000110.7L97 T102 G466L97-C133 HydrophobicContact CD1-CB 4.01Å; L97-C133 HydrophobicContact CD2-CB 3.78Å; L97-C133 HydrophobicContact CG-CB 3.86Å; T102-C133 WeakPolarHBondContact O-CB 3.27Å; C133-G466 VanDerWaalsContact C-CA 3.42Å; C133-G466 WeakPolarHBondContact O-CA 3.45Å
134D98.9Very high97.7Very high0 Ų029.1 Ų29.10%014%0.139CC..EExtended strand (participates in β ladder)trans-60.7151.4178.5-78.3-5.7000111.7M103 I104 K398 Q449 R467 I469M103-D134 VanDerWaalsContact CA-O 3.24Å; M103-D134 WeakPolarHBondContact CA-O 3.33Å; M103-D134 WeakPolarHBondContact CG-O 3.38Å; I104-D134 PolarHBondContact N-O 3.36Å; D134-K398 VanDerWaalsContact CB-NZ 3.33Å; D134-K398 IonicContact OD2-NZ 2.68Å; D134-K398 PolarHBondContact OD2-NZ 3.12Å; D134-Q449 PolarHBondContact OD1-NE2 2.65Å; D134-R467 WeakPolarHBondContact CA-O 3.19Å; D134-R467 WeakPolarHBondContact OD1-CB 3.41Å; D134-R467 IonicContact OD1-CZ 2.76Å; D134-R467 PolarHBondContact OD1-N 2.89Å; D134-R467 IonicContact OD1-NE 2.62Å; D134-R467 PolarHBondContact OD1-NE 2.86Å; D134-R467 IonicContact OD1-NH2 2.59Å; D134-R467 IonicContact OD2-CZ 3.24Å; D134-R467 IonicContact OD2-NE 2.72Å; D134-R467 PolarHBondContact OD2-NE 3.19Å; D134-R467 IonicContact OD2-NH2 3.79Å; D134-R467 PolarHBondContact OD2-NH2 2.81Å; D134-I469 HydrophobicContact CB-CD1 4.17Å; D134-I469 HydrophobicContact CB-CG1 3.97Å
135Y98.9Very high97.4Very high0 Ų032.4 Ų32.40%016%0.156CC..EExtended strand (participates in β ladder)trans-145.8164.3-177.677.1-80.8000112.8I104 R124 A127 D128 A131 L137 R467 F468 I469I104-Y135 CarbonylContact O-C 3.49Å; I104-Y135 WeakPolarHBondContact O-CA 3.36Å; R124-Y135 WeakPolarHBondContact CD-OH 3.38Å; R124-Y135 PolarHBondContact NE-OH 3.42Å; A127-Y135 HydrophobicContact CB-CD1 4.35Å; A127-Y135 HydrophobicContact CB-CD2 3.92Å; A127-Y135 HydrophobicContact CB-CE1 3.82Å; A127-Y135 HydrophobicContact CB-CE2 3.31Å; A127-Y135 HydrophobicContact CB-CG 4.4Å; A127-Y135 WeakPolarHBondContact CB-OH 3.25Å; D128-Y135 PolarHBondContact N-OH 2.57Å; D128-Y135 PolarHBondContact OD1-OH 2.87Å; A131-Y135 HydrophobicContact CB-CD1 4.01Å; A131-Y135 HydrophobicContact CB-CE1 4.44Å; Y135-L137 HydrophobicContact CD2-CD2 4.2Å; Y135-L137 HydrophobicContact CD2-CG 4.26Å; Y135-L137 HydrophobicContact CE2-CD1 4.27Å; Y135-L137 HydrophobicContact CE2-CD2 4.2Å; Y135-L137 HydrophobicContact CE2-CG 4.04Å; Y135-R467 PolarHBondContact N-O 3.36Å; Y135-F468 HydrophobicContact CD2-CD2 4.23Å; Y135-F468 HydrophobicContact CE1-CB 4.03Å; Y135-F468 HydrophobicContact CE2-CB 4.39Å; Y135-F468 AromaticContact CE2-CD2 3.71Å; Y135-F468 HydrophobicContact CE2-CD2 3.71Å; Y135-F468 AromaticContact CZ-CD2 4Å; Y135-F468 CarbonylContact O-C 3.53Å; Y135-F468 WeakPolarHBondContact O-CA 3.3Å; Y135-I469 PolarHBondContact O-N 2.94Å
136S98.9Very high97Very high0 Ų030.7 Ų30.70%015%0.148CC..EExtended strand (participates in β ladder)trans-143.5-178.8162.8-155.30000110.1I104 L105 D106 I469 R471I104-S136 PolarHBondContact O-N 2.9Å; L105-S136 WeakPolarHBondContact CA-O 3.45Å; D106-S136 PolarHBondContact N-O 3.32Å; S136-I469 WeakPolarHBondContact CB-O 3.28Å; S136-I469 PolarHBondContact OG-O 2.79Å; S136-R471 PolarHBondContact OG-NE 3.42Å; S136-R471 PolarHBondContact OG-NH2 2.94Å
137L98.9Very high96.7Very high0 Ų029.4 Ų29.40%016%0.156CC..EExtended strand (participates in β ladder)trans-134117.8-166-68.8178.9000113.5D106 V108 Y120 W123 R124 Y135 F468 R471D106-L137 HydrophobicContact CB-CD2 3.95Å; D106-L137 CarbonylContact O-C 3.5Å; D106-L137 WeakPolarHBondContact O-CA 3.38Å; V108-L137 HydrophobicContact CG2-CB 3.87Å; V108-L137 HydrophobicContact CG2-CD1 3.86Å; V108-L137 HydrophobicContact CG2-CD2 4Å; V108-L137 HydrophobicContact CG2-CG 4.12Å; Y120-L137 HydrophobicContact CD2-CD1 3.89Å; Y120-L137 HydrophobicContact CE2-CB 4.43Å; Y120-L137 HydrophobicContact CE2-CD1 3.77Å; W123-L137 HydrophobicContact CB-CD1 4.03Å; W123-L137 HydrophobicContact CB-CD2 4.41Å; R124-L137 HydrophobicContact CG-CD1 3.83Å; Y135-L137 HydrophobicContact CD2-CD2 4.2Å; Y135-L137 HydrophobicContact CD2-CG 4.26Å; Y135-L137 HydrophobicContact CE2-CD1 4.27Å; Y135-L137 HydrophobicContact CE2-CD2 4.2Å; Y135-L137 HydrophobicContact CE2-CG 4.04Å; L137-F468 HydrophobicContact CB-CE2 4.34Å; L137-F468 HydrophobicContact CD1-CE2 4.34Å; L137-F468 HydrophobicContact CG-CE2 4.17Å; L137-R471 PolarHBondContact O-NH2 3.03Å
138H98.9Very high96.6Very high0 Ų030.1 Ų30.10%016%0.16CC..EExtended strand (participates in β ladder)trans-73.7154.7160.3-61.3-49.1000109.5V72 L105 D106 H107 V108 S163 Q196 F392V72-H138 PolarHBondContact O-CD2 2.97Å; V72-H138 PolarHBondContact O-NE2 2.84Å; V72-H138 VanDerWaalsContact O-NE2 3.14Å; L105-H138 WeakPolarHBondContact CB-NE2 3.35Å; L105-H138 VanDerWaalsContact CD2-CE1 3.46Å; L105-H138 WeakPolarHBondContact CD2-CE1 3.49Å; L105-H138 WeakPolarHBondContact CD2-NE2 3.4Å; D106-H138 PolarHBondContact O-N 2.75Å; H107-H138 AromaticContact CE1-CD2 3.84Å; H107-H138 AromaticContact NE2-CD2 3.59Å; V108-H138 WeakPolarHBondContact CB-O 3.19Å; V108-H138 WeakPolarHBondContact CG2-O 3.19Å; V108-H138 PolarHBondContact N-O 3.48Å; H138-S163 PolarHBondContact CE1-OG 3.2Å; H138-S163 VanDerWaalsContact CE1-OG 3.24Å; H138-S163 WeakPolarHBondContact ND1-CB 3.13Å; H138-S163 PolarHBondContact ND1-OG 3.08Å; H138-Q196 PolarHBondContact CE1-NE2 3Å; H138-Q196 PolarHBondContact ND1-NE2 3.2Å; H138-Q196 PolarHBondContact NE2-NE2 3.05Å; H138-F392 AromaticContact CE1-CD1 3.76Å; H138-F392 AromaticContact CE1-CE1 3.36Å; H138-F392 WeakPolarHBondContact CE1-CE1 3.41Å; H138-F392 AromaticContact CE1-CZ 3.76Å
139V98.8Very high96.5Very high0 Ų030.5 Ų30.50%016%0.158CC..EExtended strand (participates in β ladder)trans-123.2122.8175.2178.80000109.7V108 L116 Y120 L155 V161 S163 F164 L165V108-V139 HydrophobicContact CB-CG2 4.11Å; V108-V139 HydrophobicContact CG2-CG2 4.23Å; L116-V139 HydrophobicContact CB-CG1 4.16Å; L116-V139 HydrophobicContact CD1-CG1 4.3Å; L116-V139 HydrophobicContact CD2-CG1 4.3Å; Y120-V139 HydrophobicContact CD2-CG2 4.5Å; V139-L155 HydrophobicContact CB-CD1 4.49Å; V139-L155 HydrophobicContact CG1-CD1 4.06Å; V139-L155 HydrophobicContact CG2-CD1 4.31Å; V139-L155 HydrophobicContact CG2-CD2 4.34Å; V139-V161 HydrophobicContact CG2-CG1 3.96Å; V139-V161 HydrophobicContact CG2-CG2 4.2Å; V139-S163 PolarHBondContact N-O 2.84Å; V139-F164 HydrophobicContact CB-CD1 3.87Å; V139-F164 HydrophobicContact CB-CE1 4.1Å; V139-F164 HydrophobicContact CG1-CD1 4.43Å; V139-F164 VanDerWaalsContact O-CA 3.23Å; V139-F164 WeakPolarHBondContact O-CA 3.49Å; V139-L165 PolarHBondContact O-N 2.94Å; V139-L165 VanDerWaalsContact O-N 3.09Å
140D98.3Very high96.5Very high0 Ų033.9 Ų33.90%017%0.165CC..EExtended strand (participates in β ladder)trans-87.6124.6-174.8-69.510.2000109.8R75 H107 V108 F109 P110 T142 L165 F167R75-D140 IonicContact CZ-OD2 2.67Å; R75-D140 IonicContact NH1-OD2 2.75Å; R75-D140 PolarHBondContact NH1-OD2 2.65Å; R75-D140 IonicContact NH2-OD2 2.76Å; R75-D140 PolarHBondContact NH2-OD2 2.77Å; H107-D140 IonicContact CE1-OD1 3.29Å; H107-D140 IonicContact CG-OD1 3.82Å; H107-D140 IonicContact ND1-OD1 3.33Å; H107-D140 PolarHBondContact ND1-OD1 2.86Å; H107-D140 IonicContact ND1-OD2 3.53Å; V108-D140 WeakPolarHBondContact O-CB 3.38Å; V108-D140 PolarHBondContact O-N 3.08Å; F109-D140 HydrophobicContact CD2-CB 4.16Å; P110-D140 WeakPolarHBondContact CD-O 3.32Å; P110-D140 VanDerWaalsContact CG-O 3.29Å; P110-D140 WeakPolarHBondContact CG-O 3.4Å; D140-T142 HydrophobicContact CB-CG2 4.45Å; D140-T142 PolarHBondContact O-N 3.13Å; D140-L165 HydrophobicContact CB-CB 4.45Å; D140-L165 VanDerWaalsContact OD1-CB 3.3Å; D140-L165 WeakPolarHBondContact OD1-CB 3.42Å; D140-F167 HydrophobicContact CB-CE2 3.95Å; D140-F167 HydrophobicContact CB-CZ 4.07Å; D140-F167 WeakPolarHBondContact OD2-CZ 3.48Å
141I97.6Very high96.5Very high0 Ų034.8 Ų34.80%017%0.167CC..  trans-90.789.2176.9-56.9173.2000107.4R143 W144 L152 F164 L165 V166 I184 I188I141-R143 WeakPolarHBondContact CG2-O 3.32Å; I141-W144 HydrophobicContact CG2-CE3 4.09Å; I141-L152 HydrophobicContact CD1-CD1 4.26Å; I141-L152 HydrophobicContact CD1-CD2 3.97Å; I141-L152 HydrophobicContact CG1-CD2 4.35Å; I141-F164 HydrophobicContact CD1-CB 3.95Å; I141-F164 HydrophobicContact CD1-CG 4.45Å; I141-F164 HydrophobicContact CG1-CB 4.36Å; I141-L165 PolarHBondContact N-O 3.27Å; I141-V166 HydrophobicContact CB-CG1 4.27Å; I141-V166 HydrophobicContact CD1-CG1 4.35Å; I141-I184 HydrophobicContact CD1-CG2 3.75Å; I141-I184 HydrophobicContact CG2-CD1 4.21Å; I141-I188 HydrophobicContact CD1-CD1 4.49Å
142T94.8Very high96.5Very high17 Ų1734.8 Ų34.810%0.10417%0.167CC..  trans-81.6-21.4-176.960.60000113.3F109 P110 D140 F167 C174F109-T142 HydrophobicContact CD2-CG2 4Å; F109-T142 HydrophobicContact CE1-CG2 4.19Å; F109-T142 HydrophobicContact CE2-CG2 3.56Å; F109-T142 HydrophobicContact CZ-CG2 3.66Å; P110-T142 HydrophobicContact CG-CG2 3.96Å; D140-T142 HydrophobicContact CB-CG2 4.45Å; D140-T142 PolarHBondContact O-N 3.13Å; T142-F167 HydrophobicContact CG2-CE2 4.21Å; T142-C174 WeakPolarHBondContact O-CA 3.27Å
143R93.1Very high96.4Very high112 Ų11237.7 Ų37.742%0.42318%0.18SC..SBendtrans-142.3156172.7-64.7-171.2179.4-80.7-8.7109.6I141 I148 D172 R173I141-R143 WeakPolarHBondContact CG2-O 3.32Å; R143-I148 WeakPolarHBondContact O-CD1 3.26Å; R143-D172 PolarHBondContact NH2-O 3.21Å; R143-R173 PolarHBondContact NH2-O 3.05Å
144W93.9Very high96.4Very high17 Ų1738.5 Ų38.56%0.06419%0.187CC..  trans-122.8127.3-179.4-174.6-108.6000114.1I141 I148 L152 Q180 E183 I184 I187I141-W144 HydrophobicContact CG2-CE3 4.09Å; W144-I148 HydrophobicContact CE3-CB 4.24Å; W144-I148 HydrophobicContact CE3-CD1 4.49Å; W144-I148 HydrophobicContact CE3-CG2 4.27Å; W144-I148 HydrophobicContact CZ3-CB 3.9Å; W144-I148 HydrophobicContact CZ3-CG2 3.83Å; W144-L152 HydrophobicContact CH2-CD1 4.25Å; W144-L152 HydrophobicContact CZ3-CD1 3.99Å; W144-Q180 HydrophobicContact CB-CB 4.33Å; W144-Q180 HydrophobicContact CB-CG 4.26Å; W144-Q180 HydrophobicContact CG-CB 4.34Å; W144-Q180 HydrophobicContact CG-CG 4.37Å; W144-E183 HydrophobicContact CZ2-CG 4.25Å; W144-E183 WeakPolarHBondContact CZ2-OE1 3.44Å; W144-E183 PolarHBondContact NE1-OE1 2.96Å; W144-E183 PolarHBondContact NE1-OE2 3.44Å; W144-I184 HydrophobicContact CB-CD1 4.15Å; W144-I184 HydrophobicContact CD2-CD1 3.83Å; W144-I184 HydrophobicContact CD2-CG1 3.5Å; W144-I184 VanDerWaalsContact CD2-CG1 3.5Å; W144-I184 HydrophobicContact CE3-CD1 3.83Å; W144-I184 HydrophobicContact CE3-CG1 3.45Å; W144-I184 VanDerWaalsContact CE3-CG1 3.45Å; W144-I184 HydrophobicContact CG-CD1 3.97Å; W144-I184 HydrophobicContact CG-CG1 4.08Å; W144-I184 HydrophobicContact CH2-CG1 4.16Å; W144-I184 HydrophobicContact CZ2-CG1 4.2Å; W144-I184 HydrophobicContact CZ3-CG1 3.8Å; W144-I187 HydrophobicContact CH2-CD1 3.56Å; W144-I187 HydrophobicContact CZ2-CD1 3.56Å
145H91.9Very high96.4Very high119 Ų11938.5 Ų38.555%0.55119%0.187SC*.  trans-147.1144.4169.5-55.7-64.2000107.8S147 I148H145-S147 PolarHBondContact O-N 2.59Å; H145-I148 HydrophobicContact CB-CD1 4.47Å; H145-I148 HydrophobicContact CB-CG1 4.48Å; H145-I148 VanDerWaalsContact O-CB 3.29Å; H145-I148 WeakPolarHBondContact O-CB 3.43Å; H145-I148 WeakPolarHBondContact O-CG1 3.38Å; H145-I148 PolarHBondContact O-N 3.25Å
146E89.7Confident96.4Very high107 Ų10739.3 Ų39.350%0.519%0.191SC..THydrogen-bonded Turntrans-53.2-31.8-178176.583.1-137.300112.8I148 K149E146-I148 PolarHBondContact O-N 3.21Å; E146-I148 VanDerWaalsContact O-N 3.16Å; E146-K149 WeakPolarHBondContact O-CB 3.29Å; E146-K149 PolarHBondContact O-N 3.04Å; E146-K149 VanDerWaalsContact O-N 3.08Å; E146-K149 WeakPolarHBondContact OE1-CD 3.21Å; E146-K149 IonicContact OE1-NZ 2.85Å; E146-K149 PolarHBondContact OE1-NZ 3.41Å
147S91Very high96.3Very high81 Ų8145.8 Ų45.857%0.56622%0.219SC*.THydrogen-bonded Turntrans-59.3-25.2176.757.40000114.2H145 K149 E150H145-S147 PolarHBondContact O-N 2.59Å; S147-K149 PolarHBondContact O-N 3.05Å; S147-E150 PolarHBondContact O-N 3.31Å
148I95.3Very high96.2Very high16 Ų1652.7 Ų52.78%0.08225%0.252CS..Hα-helixtrans-64.9-23.2178.3-64.8178.7000111.4L116 R143 W144 H145 E146 E150 E151 L152L116-I148 HydrophobicContact CD1-CG2 3.5Å; L116-I148 VanDerWaalsContact CD1-CG2 3.5Å; L116-I148 HydrophobicContact CG-CG2 4.19Å; R143-I148 WeakPolarHBondContact O-CD1 3.26Å; W144-I148 HydrophobicContact CE3-CB 4.24Å; W144-I148 HydrophobicContact CE3-CD1 4.49Å; W144-I148 HydrophobicContact CE3-CG2 4.27Å; W144-I148 HydrophobicContact CZ3-CB 3.9Å; W144-I148 HydrophobicContact CZ3-CG2 3.83Å; H145-I148 HydrophobicContact CB-CD1 4.47Å; H145-I148 HydrophobicContact CB-CG1 4.48Å; H145-I148 VanDerWaalsContact O-CB 3.29Å; H145-I148 WeakPolarHBondContact O-CB 3.43Å; H145-I148 WeakPolarHBondContact O-CG1 3.38Å; H145-I148 PolarHBondContact O-N 3.25Å; E146-I148 PolarHBondContact O-N 3.21Å; E146-I148 VanDerWaalsContact O-N 3.16Å; I148-E150 VanDerWaalsContact C-N 3.26Å; I148-E150 PolarHBondContact O-N 3.42Å; I148-E151 WeakPolarHBondContact O-CA 3.39Å; I148-E151 WeakPolarHBondContact O-CB 3.5Å; I148-E151 PolarHBondContact O-N 3.14Å; I148-L152 HydrophobicContact CG2-CG 4.2Å; I148-L152 WeakPolarHBondContact O-CG 3.39Å; I148-L152 PolarHBondContact O-N 2.98Å
149K96.6Very high96.2Very high71 Ų7155.3 Ų55.331%0.30926%0.263SS..Hα-helixtrans-54.9-38.5175.7-177.2-179.7-177.21800113.6E146 S147 E151 L152 E153 I187E146-K149 WeakPolarHBondContact O-CB 3.29Å; E146-K149 PolarHBondContact O-N 3.04Å; E146-K149 VanDerWaalsContact O-N 3.08Å; E146-K149 WeakPolarHBondContact OE1-CD 3.21Å; E146-K149 IonicContact OE1-NZ 2.85Å; E146-K149 PolarHBondContact OE1-NZ 3.41Å; S147-K149 PolarHBondContact O-N 3.05Å; K149-E151 VanDerWaalsContact C-N 3.31Å; K149-E151 PolarHBondContact O-N 2.97Å; K149-L152 PolarHBondContact O-N 2.84Å; K149-E153 PolarHBondContact O-N 2.86Å; K149-I187 HydrophobicContact CB-CD1 4.37Å; K149-I187 HydrophobicContact CD-CD1 4.08Å; K149-I187 HydrophobicContact CG-CD1 4.16Å; K149-I187 HydrophobicContact CG-CG2 4.14Å
150E96.9Very high96.1Very high151 Ų15155.7 Ų55.771%0.70627%0.267SS*.Hα-helixtrans-65.9-36.4177.1-63.1-176.9175.500111.1S147 I148 E153 A154S147-E150 PolarHBondContact O-N 3.31Å; I148-E150 VanDerWaalsContact C-N 3.26Å; I148-E150 PolarHBondContact O-N 3.42Å; E150-E153 PolarHBondContact O-N 3.4Å; E150-A154 PolarHBondContact O-N 3.3Å
151E97.9Very high96.1Very high36 Ų3655.7 Ų55.717%0.16827%0.267CS..Hα-helixtrans-69.4-41.8173.9-57.9-162.2-119.400112.4S115 L116 L117 I148 K149 E153 A154 L155S115-E151 WeakPolarHBondContact CB-OE1 3.44Å; S115-E151 VanDerWaalsContact CB-OE2 3.27Å; S115-E151 WeakPolarHBondContact CB-OE2 3.4Å; L116-E151 WeakPolarHBondContact CA-OE2 3.46Å; L116-E151 HydrophobicContact CB-CB 4.3Å; L116-E151 PolarHBondContact N-OE2 3.25Å; L117-E151 HydrophobicContact CD1-CB 4.3Å; L117-E151 HydrophobicContact CD1-CG 4.15Å; L117-E151 HydrophobicContact CG-CB 4.24Å; L117-E151 HydrophobicContact CG-CG 4.41Å; L117-E151 PolarHBondContact N-OE2 3.28Å; I148-E151 WeakPolarHBondContact O-CA 3.39Å; I148-E151 WeakPolarHBondContact O-CB 3.5Å; I148-E151 PolarHBondContact O-N 3.14Å; K149-E151 VanDerWaalsContact C-N 3.31Å; K149-E151 PolarHBondContact O-N 2.97Å; E151-E153 VanDerWaalsContact C-N 3.29Å; E151-E153 PolarHBondContact O-N 3.44Å; E151-A154 PolarHBondContact O-N 2.89Å; E151-L155 WeakPolarHBondContact O-CB 3.33Å; E151-L155 VanDerWaalsContact O-CG 3.24Å; E151-L155 WeakPolarHBondContact O-CG 3.23Å; E151-L155 PolarHBondContact O-N 2.92Å
152L98.4Very high96.2Very high0 Ų055.8 Ų55.80%027%0.268CS..Hα-helixtrans-60.4-40.3173.9-62.3179.3000111.2L116 I141 W144 I148 K149 V156 F164 I187 L191L116-L152 HydrophobicContact CD1-CD2 3.76Å; I141-L152 HydrophobicContact CD1-CD1 4.26Å; I141-L152 HydrophobicContact CD1-CD2 3.97Å; I141-L152 HydrophobicContact CG1-CD2 4.35Å; W144-L152 HydrophobicContact CH2-CD1 4.25Å; W144-L152 HydrophobicContact CZ3-CD1 3.99Å; I148-L152 HydrophobicContact CG2-CG 4.2Å; I148-L152 WeakPolarHBondContact O-CG 3.39Å; I148-L152 PolarHBondContact O-N 2.98Å; K149-L152 PolarHBondContact O-N 2.84Å; L152-V156 WeakPolarHBondContact O-CB 3.34Å; L152-V156 WeakPolarHBondContact O-CG2 3.4Å; L152-V156 PolarHBondContact O-N 3.08Å; L152-F164 HydrophobicContact CB-CZ 4.42Å; L152-F164 HydrophobicContact CD2-CD1 3.57Å; L152-F164 HydrophobicContact CD2-CE1 3.4Å; L152-F164 VanDerWaalsContact CD2-CE1 3.4Å; L152-F164 HydrophobicContact CD2-CE2 4.35Å; L152-F164 HydrophobicContact CD2-CG 4.14Å; L152-F164 HydrophobicContact CD2-CZ 3.82Å; L152-I187 HydrophobicContact CD1-CG2 4.03Å; L152-L191 HydrophobicContact CB-CD1 3.73Å
153E98Very high96.4Very high65 Ų6555 Ų5530%0.30426%0.263SS..Hα-helixtrans-61.7-46.2173.8-83-172.3-14900112.3K149 E150 E151 V156 K157 L191K149-E153 PolarHBondContact O-N 2.86Å; E150-E153 PolarHBondContact O-N 3.4Å; E151-E153 VanDerWaalsContact C-N 3.29Å; E151-E153 PolarHBondContact O-N 3.44Å; E153-V156 PolarHBondContact O-N 2.62Å; E153-K157 HydrophobicContact CB-CD 4.43Å; E153-K157 VanDerWaalsContact O-CB 3.28Å; E153-K157 WeakPolarHBondContact O-CB 3.4Å; E153-K157 WeakPolarHBondContact O-CD 3.43Å; E153-K157 WeakPolarHBondContact O-CG 3.35Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 IonicContact OE2-NZ 3.79Å; E153-K157 PolarHBondContact OE2-NZ 3.47Å; E153-L191 HydrophobicContact CG-CD2 3.5Å; E153-L191 VanDerWaalsContact CG-CD2 3.5Å
154A98.3Very high96.7Very high17 Ų1749.6 Ų49.614%0.1424%0.243CC..Hα-helixtrans-65.2-44.1177.900000112.2L117 E150 E151 V156 K157 E158 K159L117-A154 HydrophobicContact CD1-CB 3.98Å; L117-A154 HydrophobicContact CD2-CB 3.95Å; L117-A154 HydrophobicContact CG-CB 4.49Å; E150-A154 PolarHBondContact O-N 3.3Å; E151-A154 PolarHBondContact O-N 2.89Å; A154-V156 VanDerWaalsContact C-N 3.27Å; A154-V156 PolarHBondContact O-N 2.98Å; A154-K157 PolarHBondContact O-N 3.29Å; A154-E158 WeakPolarHBondContact O-CB 3.48Å; A154-E158 PolarHBondContact O-N 2.84Å; A154-K159 PolarHBondContact O-N 3.44Å
155L98.6Very high96.9Very high0 Ų048.8 Ų48.80%024%0.24CC..Hα-helixtrans-58.2-40176.2-74.2166000111.9L116 L117 Y120 V139 E151 K159 G160 V161 F164L116-L155 HydrophobicContact CB-CD1 3.83Å; L116-L155 HydrophobicContact CD1-CD1 4.31Å; L117-L155 HydrophobicContact CD2-CD2 3.87Å; L117-L155 HydrophobicContact CD2-CG 3.85Å; L117-L155 HydrophobicContact CG-CG 4.47Å; Y120-L155 HydrophobicContact CD1-CD2 4.27Å; Y120-L155 HydrophobicContact CD2-CD2 4.01Å; Y120-L155 HydrophobicContact CG-CD2 3.74Å; V139-L155 HydrophobicContact CB-CD1 4.49Å; V139-L155 HydrophobicContact CG1-CD1 4.06Å; V139-L155 HydrophobicContact CG2-CD1 4.31Å; V139-L155 HydrophobicContact CG2-CD2 4.34Å; E151-L155 WeakPolarHBondContact O-CB 3.33Å; E151-L155 VanDerWaalsContact O-CG 3.24Å; E151-L155 WeakPolarHBondContact O-CG 3.23Å; E151-L155 PolarHBondContact O-N 2.92Å; L155-K159 HydrophobicContact CD2-CB 4.26Å; L155-K159 HydrophobicContact CD2-CG 4.17Å; L155-K159 CarbonylContact O-C 3.52Å; L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 PolarHBondContact O-N 3.29Å; L155-G160 PolarHBondContact O-N 3.13Å; L155-V161 HydrophobicContact CB-CB 4.17Å; L155-V161 HydrophobicContact CB-CG2 4.46Å; L155-V161 HydrophobicContact CD2-CG2 4.26Å; L155-V161 PolarHBondContact O-N 2.89Å; L155-F164 HydrophobicContact CB-CE1 4.26Å; L155-F164 HydrophobicContact CB-CZ 4.24Å; L155-F164 HydrophobicContact CD1-CE1 4Å
156V98.2Very high97.2Very high16 Ų1643.1 Ų43.110%0.09721%0.213CC..Hα-helixtrans-70.8-50.8175.4156.30000113L152 E153 A154 V161 F164 L191 A193 T473L152-V156 WeakPolarHBondContact O-CB 3.34Å; L152-V156 WeakPolarHBondContact O-CG2 3.4Å; L152-V156 PolarHBondContact O-N 3.08Å; E153-V156 PolarHBondContact O-N 2.62Å; A154-V156 VanDerWaalsContact C-N 3.27Å; A154-V156 PolarHBondContact O-N 2.98Å; V156-V161 WeakPolarHBondContact CA-O 3.5Å; V156-V161 WeakPolarHBondContact CG2-O 3.37Å; V156-F164 HydrophobicContact CG2-CE2 3.96Å; V156-F164 HydrophobicContact CG2-CZ 4Å; V156-L191 HydrophobicContact CG1-CB 4.48Å; V156-L191 HydrophobicContact CG2-CB 4.18Å; V156-L191 HydrophobicContact CG2-CD1 4.28Å; V156-A193 HydrophobicContact CG2-CB 4.37Å; V156-T473 HydrophobicContact CB-CG2 4.23Å; V156-T473 HydrophobicContact CG1-CG2 3.49Å; V156-T473 VanDerWaalsContact CG1-CG2 3.49Å; V156-T473 HydrophobicContact CG2-CG2 3.88Å
157K96.9Very high97.6Very high136 Ų13638.1 Ų38.159%0.59119%0.19SC*.Hα-helixtrans-77.2-36.3-169.9-68.9167.2-175173.60112.8E153 A154E153-K157 HydrophobicContact CB-CD 4.43Å; E153-K157 VanDerWaalsContact O-CB 3.28Å; E153-K157 WeakPolarHBondContact O-CB 3.4Å; E153-K157 WeakPolarHBondContact O-CD 3.43Å; E153-K157 WeakPolarHBondContact O-CG 3.35Å; E153-K157 PolarHBondContact O-N 3.32Å; E153-K157 IonicContact OE2-NZ 3.79Å; E153-K157 PolarHBondContact OE2-NZ 3.47Å; A154-K157 PolarHBondContact O-N 3.29Å
158E97.4Very high98Very high146 Ų14634.3 Ų34.368%0.68216%0.163SC*.THydrogen-bonded Turntrans-115.6-31.9-167.1-56.7178.3-169.400113.1A154A154-E158 WeakPolarHBondContact O-CB 3.48Å; A154-E158 PolarHBondContact O-N 2.84Å
159K98.1Very high98.1Very high54 Ų5433.6 Ų33.624%0.23516%0.16CC..SBendtrans-101.4-9.1-171.3-48.8-57.8179.5165.20114.2L117 Y120 E121 A154 L155 V161 F468L117-K159 HydrophobicContact CD2-CG 4.27Å; Y120-K159 HydrophobicContact CD1-CB 4.34Å; Y120-K159 HydrophobicContact CD1-CD 4.34Å; Y120-K159 HydrophobicContact CD1-CG 4.19Å; Y120-K159 HydrophobicContact CE1-CB 3.75Å; Y120-K159 HydrophobicContact CE1-CD 3.78Å; Y120-K159 HydrophobicContact CE1-CG 3.86Å; Y120-K159 HydrophobicContact CE2-CB 4.16Å; Y120-K159 PolarHBondContact OH-O 2.75Å; E121-K159 VanDerWaalsContact OE1-CE 3.31Å; E121-K159 WeakPolarHBondContact OE1-CE 3.43Å; E121-K159 IonicContact OE1-NZ 2.72Å; E121-K159 PolarHBondContact OE1-NZ 2.81Å; A154-K159 PolarHBondContact O-N 3.44Å; L155-K159 HydrophobicContact CD2-CB 4.26Å; L155-K159 HydrophobicContact CD2-CG 4.17Å; L155-K159 CarbonylContact O-C 3.52Å; L155-K159 WeakPolarHBondContact O-CB 3.48Å; L155-K159 PolarHBondContact O-N 3.29Å; K159-V161 HydrophobicContact CB-CG2 4.47Å; K159-F468 WeakPolarHBondContact O-CE1 3.4Å; K159-F468 WeakPolarHBondContact O-CZ 3.45Å
160G97.8Very high98Very high9 Ų932.3 Ų32.39%0.09315%0.153CC..  trans71.730.9178.200000113.6L155 R471L155-G160 PolarHBondContact O-N 3.13Å; G160-R471 CarbonylContact C-O 3.54Å; G160-R471 WeakPolarHBondContact CA-O 3.39Å; G160-R471 PolarHBondContact O-N 3.05Å
161V98.7Very high97.9Very high0 Ų027.8 Ų27.80%013%0.131CC..  trans-93132.7170.8179.70000109.4Y120 V139 L155 V156 K159 F164Y120-V161 HydrophobicContact CD2-CG2 4.01Å; Y120-V161 HydrophobicContact CE2-CG2 3.82Å; V139-V161 HydrophobicContact CG2-CG1 3.96Å; V139-V161 HydrophobicContact CG2-CG2 4.2Å; L155-V161 HydrophobicContact CB-CB 4.17Å; L155-V161 HydrophobicContact CB-CG2 4.46Å; L155-V161 HydrophobicContact CD2-CG2 4.26Å; L155-V161 PolarHBondContact O-N 2.89Å; V156-V161 WeakPolarHBondContact CA-O 3.5Å; V156-V161 WeakPolarHBondContact CG2-O 3.37Å; K159-V161 HydrophobicContact CB-CG2 4.47Å; V161-F164 HydrophobicContact CG1-CD1 4.41Å; V161-F164 HydrophobicContact CG1-CE1 3.82Å; V161-F164 HydrophobicContact CG1-CZ 3.93Å
162N98.4Very high97.5Very high1 Ų132.2 Ų32.21%0.00516%0.156CC..  trans-134.118.8179.871.5-5.8000113.1A193 L194 F392 R471 K472 T473N162-A193 CarbonylContact O-C 3.49Å; N162-A193 VanDerWaalsContact O-CA 3.28Å; N162-A193 WeakPolarHBondContact O-CA 3.48Å; N162-A193 WeakPolarHBondContact O-CB 3.48Å; N162-L194 PolarHBondContact O-N 2.65Å; N162-F392 PolarHBondContact ND2-O 3.39Å; N162-R471 HydrophobicContact CB-CB 4.42Å; N162-R471 WeakPolarHBondContact ND2-CB 3.33Å; N162-K472 PolarHBondContact ND2-O 3.36Å; N162-T473 HydrophobicContact CB-CG2 3.89Å
163S98.8Very high97.2Very high0 Ų038.7 Ų38.70%018%0.181CC..EExtended strand (participates in β ladder)trans-156.2132-173.928.50000110.6H138 V139 L194 R471H138-S163 PolarHBondContact CE1-OG 3.2Å; H138-S163 VanDerWaalsContact CE1-OG 3.24Å; H138-S163 WeakPolarHBondContact ND1-CB 3.13Å; H138-S163 PolarHBondContact ND1-OG 3.08Å; V139-S163 PolarHBondContact N-O 2.84Å; S163-L194 WeakPolarHBondContact CA-O 3.09Å; S163-R471 PolarHBondContact OG-NH1 3.28Å; S163-R471 VanDerWaalsContact OG-NH1 3.15Å
164F98.9Very high97Very high0 Ų036.1 Ų36.10%017%0.17CC..EExtended strand (participates in β ladder)trans-136.2135.6-173-58.3-82.5000110.7V139 I141 L152 L155 V156 V161 I188 A193 L194 Q196V139-F164 HydrophobicContact CB-CD1 3.87Å; V139-F164 HydrophobicContact CB-CE1 4.1Å; V139-F164 HydrophobicContact CG1-CD1 4.43Å; V139-F164 VanDerWaalsContact O-CA 3.23Å; V139-F164 WeakPolarHBondContact O-CA 3.49Å; I141-F164 HydrophobicContact CD1-CB 3.95Å; I141-F164 HydrophobicContact CD1-CG 4.45Å; I141-F164 HydrophobicContact CG1-CB 4.36Å; L152-F164 HydrophobicContact CB-CZ 4.42Å; L152-F164 HydrophobicContact CD2-CD1 3.57Å; L152-F164 HydrophobicContact CD2-CE1 3.4Å; L152-F164 VanDerWaalsContact CD2-CE1 3.4Å; L152-F164 HydrophobicContact CD2-CE2 4.35Å; L152-F164 HydrophobicContact CD2-CG 4.14Å; L152-F164 HydrophobicContact CD2-CZ 3.82Å; L155-F164 HydrophobicContact CB-CE1 4.26Å; L155-F164 HydrophobicContact CB-CZ 4.24Å; L155-F164 HydrophobicContact CD1-CE1 4Å; V156-F164 HydrophobicContact CG2-CE2 3.96Å; V156-F164 HydrophobicContact CG2-CZ 4Å; V161-F164 HydrophobicContact CG1-CD1 4.41Å; V161-F164 HydrophobicContact CG1-CE1 3.82Å; V161-F164 HydrophobicContact CG1-CZ 3.93Å; F164-I188 HydrophobicContact CB-CD1 3.89Å; F164-I188 HydrophobicContact CD2-CD1 4.22Å; F164-I188 HydrophobicContact CD2-CG1 4.04Å; F164-I188 HydrophobicContact CG-CD1 4.44Å; F164-A193 HydrophobicContact CD2-CB 3.93Å; F164-A193 HydrophobicContact CE2-CB 3.7Å; F164-L194 PolarHBondContact N-O 2.85Å; F164-L194 VanDerWaalsContact N-O 3.07Å; F164-Q196 WeakPolarHBondContact O-CB 3.3Å; F164-Q196 PolarHBondContact O-N 3.22Å
165L98.8Very high96.9Very high0 Ų037.5 Ų37.50%017%0.173CC..EExtended strand (participates in β ladder)trans-96.1134.9179.1-176.167.1000111.3V139 D140 I141 F167 Q196 H198 T253V139-L165 PolarHBondContact O-N 2.94Å; V139-L165 VanDerWaalsContact O-N 3.09Å; D140-L165 HydrophobicContact CB-CB 4.45Å; D140-L165 VanDerWaalsContact OD1-CB 3.3Å; D140-L165 WeakPolarHBondContact OD1-CB 3.42Å; I141-L165 PolarHBondContact N-O 3.27Å; L165-F167 HydrophobicContact CD2-CE1 3.77Å; L165-F167 HydrophobicContact CD2-CE2 4.32Å; L165-F167 HydrophobicContact CD2-CZ 3.64Å; L165-F167 HydrophobicContact CG-CE1 4.45Å; L165-F167 HydrophobicContact CG-CE2 4.44Å; L165-F167 HydrophobicContact CG-CZ 4.22Å; L165-Q196 WeakPolarHBondContact CA-O 3.39Å; L165-Q196 HydrophobicContact CB-CB 4.22Å; L165-Q196 HydrophobicContact CD1-CB 3.66Å; L165-H198 HydrophobicContact CD1-CB 4.29Å; L165-T253 HydrophobicContact CD1-CG2 3.96Å
166V98.6Very high96.9Very high0 Ų037.7 Ų37.70%017%0.174CC..EExtended strand (participates in β ladder)trans-115.4155163.4-59.90000110.5I141 M181 I184 F185 Q196 V197 H198I141-V166 HydrophobicContact CB-CG1 4.27Å; I141-V166 HydrophobicContact CD1-CG1 4.35Å; V166-M181 HydrophobicContact CG2-CE 4.21Å; V166-I184 HydrophobicContact CG1-CD1 3.99Å; V166-I184 HydrophobicContact CG1-CG2 3.82Å; V166-F185 HydrophobicContact CG2-CE1 3.72Å; V166-F185 HydrophobicContact CG2-CZ 4.09Å; V166-Q196 PolarHBondContact N-O 3.47Å; V166-V197 HydrophobicContact CG2-CB 4.48Å; V166-V197 HydrophobicContact CG2-CG1 4.42Å; V166-V197 HydrophobicContact CG2-CG2 3.81Å; V166-V197 WeakPolarHBondContact O-CA 3.04Å; V166-H198 PolarHBondContact O-N 2.82Å
167F98.6Very high96.9Very high2 Ų239.3 Ų39.31%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-112.2134.4-178.8-55-96.4000110.7F109 D140 T142 L165 Y170 C174 C176 H198F109-F167 HydrophobicContact CD2-CZ 4.26Å; F109-F167 HydrophobicContact CE2-CE2 4.32Å; F109-F167 AromaticContact CE2-CZ 3.9Å; F109-F167 HydrophobicContact CE2-CZ 3.9Å; D140-F167 HydrophobicContact CB-CE2 3.95Å; D140-F167 HydrophobicContact CB-CZ 4.07Å; D140-F167 WeakPolarHBondContact OD2-CZ 3.48Å; T142-F167 HydrophobicContact CG2-CE2 4.21Å; L165-F167 HydrophobicContact CD2-CE1 3.77Å; L165-F167 HydrophobicContact CD2-CE2 4.32Å; L165-F167 HydrophobicContact CD2-CZ 3.64Å; L165-F167 HydrophobicContact CG-CE1 4.45Å; L165-F167 HydrophobicContact CG-CE2 4.44Å; L165-F167 HydrophobicContact CG-CZ 4.22Å; F167-Y170 HydrophobicContact CB-CD2 4.45Å; F167-Y170 AromaticContact CD1-CD2 3.69Å; F167-Y170 HydrophobicContact CD1-CD2 3.69Å; F167-Y170 AromaticContact CD1-CE2 3.7Å; F167-Y170 HydrophobicContact CD1-CE2 3.7Å; F167-Y170 HydrophobicContact CE1-CD2 4.28Å; F167-Y170 HydrophobicContact CE1-CE2 4.03Å; F167-Y170 HydrophobicContact CG-CD2 4.3Å; F167-C174 HydrophobicContact CB-CB 3.98Å; F167-C174 HydrophobicContact CD2-CB 3.67Å; F167-C174 HydrophobicContact CE2-CB 4.28Å; F167-C174 HydrophobicContact CG-CB 3.83Å; F167-C176 PolarHBondContact O-N 3.12Å; F167-H198 HydrophobicContact CD1-CB 3.84Å; F167-H198 AromaticContact CD1-CD2 3.71Å; F167-H198 HydrophobicContact CE1-CB 4.35Å
168M98.7Very high97Very high0 Ų036.3 Ų36.30%018%0.177CC..SBendtrans-96.2-9.9166.7-60179.472.300112Q175 M181 V197 H198 A199 E200 G202 A235 R238 A239M168-Q175 WeakPolarHBondContact O-CG 3.07Å; M168-M181 HydrophobicContact CE-CE 4.36Å; M168-M181 HydrophobicContact CE-SD 4.23Å; M168-M181 HydrophobicContact CG-CE 3.8Å; M168-M181 HydrophobicContact CG-SD 3.74Å; M168-M181 HydrophobicContact SD-CE 3.74Å; M168-M181 HydrophobicContact SD-SD 4.17Å; M168-V197 HydrophobicContact CG-CG1 3.84Å; M168-V197 HydrophobicContact SD-CG1 3.71Å; M168-H198 PolarHBondContact N-O 3.24Å; M168-A199 HydrophobicContact SD-CB 4.19Å; M168-E200 CarbonylContact C-O 3.5Å; M168-E200 VanDerWaalsContact CB-O 3.24Å; M168-E200 WeakPolarHBondContact CB-O 3.44Å; M168-G202 PolarHBondContact O-N 3.25Å; M168-A235 HydrophobicContact CB-CB 4.48Å; M168-A235 HydrophobicContact CE-CB 3.83Å; M168-A235 WeakPolarHBondContact CE-O 3.48Å; M168-A235 HydrophobicContact SD-CB 3.92Å; M168-A235 VanDerWaalsContact SD-O 3.38Å; M168-R238 HydrophobicContact CE-CB 4.1Å; M168-R238 HydrophobicContact CE-CG 4.01Å; M168-A239 HydrophobicContact SD-CB 3.82Å
169A96.9Very high97Very high2 Ų233.3 Ų33.32%0.01717%0.172CC..SBendtrans-107.7-176.7177.200000111.9Q175 H198 E200A169-Q175 WeakPolarHBondContact O-CA 3.25Å; A169-Q175 WeakPolarHBondContact O-CB 3.43Å; A169-Q175 PolarHBondContact O-N 3.46Å; A169-H198 WeakPolarHBondContact CB-NE2 3.14Å; A169-E200 HydrophobicContact CB-CB 4.07Å; A169-E200 PolarHBondContact N-O 2.93Å
170Y95.2Very high97Very high43 Ų4333.4 Ų33.417%0.16917%0.173CC..SBendtrans60.561.5-178.7-44.2-60.8000112.7F167 R173 C174 Q175 H198 E353F167-Y170 HydrophobicContact CB-CD2 4.45Å; F167-Y170 AromaticContact CD1-CD2 3.69Å; F167-Y170 HydrophobicContact CD1-CD2 3.69Å; F167-Y170 AromaticContact CD1-CE2 3.7Å; F167-Y170 HydrophobicContact CD1-CE2 3.7Å; F167-Y170 HydrophobicContact CE1-CD2 4.28Å; F167-Y170 HydrophobicContact CE1-CE2 4.03Å; F167-Y170 HydrophobicContact CG-CD2 4.3Å; Y170-R173 PolarHBondContact O-N 2.67Å; Y170-R173 VanDerWaalsContact O-N 3.17Å; Y170-C174 PolarHBondContact O-N 3.23Å; Y170-Q175 PolarHBondContact O-N 3.29Å; Y170-H198 AromaticContact CE2-CD2 3.58Å; Y170-H198 AromaticContact CE2-NE2 3.45Å; Y170-H198 WeakPolarHBondContact CE2-NE2 3.36Å; Y170-H198 AromaticContact CZ-NE2 3.65Å; Y170-E353 WeakPolarHBondContact CE1-OE2 3.29Å; Y170-E353 VanDerWaalsContact CZ-OE2 3.3Å; Y170-E353 PolarHBondContact OH-OE2 3.36Å
171K93.9Very high97Very high57 Ų5733 Ų3325%0.24817%0.169CC..THydrogen-bonded Turntrans-47.9143.5176.3-171.2150.3155.2-158.90113.2R173 Q175 D203 E206K171-R173 PolarHBondContact O-N 3.44Å; K171-Q175 VanDerWaalsContact CA-OE1 3.31Å; K171-Q175 VanDerWaalsContact CB-OE1 3.28Å; K171-D203 VanDerWaalsContact CD-OD1 3.24Å; K171-D203 WeakPolarHBondContact CD-OD1 3.37Å; K171-D203 WeakPolarHBondContact CE-OD1 3.22Å; K171-D203 IonicContact NZ-OD1 3.34Å; K171-D203 PolarHBondContact NZ-OD1 3.42Å; K171-E206 HydrophobicContact CD-CB 4.48Å; K171-E206 WeakPolarHBondContact CD-OE2 3.25Å; K171-E206 WeakPolarHBondContact CE-OE2 3.45Å; K171-E206 IonicContact NZ-OE2 2.66Å; K171-E206 PolarHBondContact NZ-OE2 3.41Å
172D91.1Very high97Very high128 Ų12838.4 Ų38.468%0.68419%0.19SC*.THydrogen-bonded Turntrans56.7-10.9-173.2-59.7-31.7000117R143R143-D172 PolarHBondContact NH2-O 3.21Å
173R91.3Very high97Very high137 Ų13741.5 Ų41.552%0.51721%0.205SC..THydrogen-bonded Turntrans-97.3-62.6176.9-61.5-170.4-69.9-170.9-0.1112.1R143 Y170 K171R143-R173 PolarHBondContact NH2-O 3.05Å; Y170-R173 PolarHBondContact O-N 2.67Å; Y170-R173 VanDerWaalsContact O-N 3.17Å; K171-R173 PolarHBondContact O-N 3.44Å
174C93.8Very high97Very high11 Ų1141.5 Ų41.57%0.07421%0.205CC..THydrogen-bonded Turntrans-130.5-14-172.3-55.30000115.2T142 F167 Y170 C176T142-C174 WeakPolarHBondContact O-CA 3.27Å; F167-C174 HydrophobicContact CB-CB 3.98Å; F167-C174 HydrophobicContact CD2-CB 3.67Å; F167-C174 HydrophobicContact CE2-CB 4.28Å; F167-C174 HydrophobicContact CG-CB 3.83Å; Y170-C174 PolarHBondContact O-N 3.23Å; C174-C176 PolarHBondContact O-N 3.47Å
175Q97.4Very high97Very high46 Ų4641.5 Ų41.522%0.21521%0.205CC..BIsolated β-bridgetrans-60122.5-173.9-176.2172.4-15.700112.2M168 A169 Y170 K171 D203M168-Q175 WeakPolarHBondContact O-CG 3.07Å; A169-Q175 WeakPolarHBondContact O-CA 3.25Å; A169-Q175 WeakPolarHBondContact O-CB 3.43Å; A169-Q175 PolarHBondContact O-N 3.46Å; Y170-Q175 PolarHBondContact O-N 3.29Å; K171-Q175 VanDerWaalsContact CA-OE1 3.31Å; K171-Q175 VanDerWaalsContact CB-OE1 3.28Å; Q175-D203 PolarHBondContact NE2-OD2 3.18Å
176C97.3Very high96.9Very high4 Ų442.5 Ų42.53%0.02721%0.212CC..PPolyproline II helixtrans-86.6142.1169.8-67.60000110.5F167 C174 Q180 M181F167-C176 PolarHBondContact O-N 3.12Å; C174-C176 PolarHBondContact O-N 3.47Å; C176-Q180 HydrophobicContact CB-CB 4.37Å; C176-M181 HydrophobicContact CB-CG 3.77Å
177S97.9Very high96.9Very high50 Ų5043.3 Ų43.335%0.3522%0.216SC..PPolyproline II helixtrans-75.2158.5166.477.50000111.4S179 Q180 M181S177-S179 PolarHBondContact O-N 2.89Å; S177-S179 VanDerWaalsContact O-N 3.13Å; S177-S179 PolarHBondContact OG-OG 3.1Å; S177-Q180 WeakPolarHBondContact O-CB 3.49Å; S177-Q180 PolarHBondContact O-N 3.49Å; S177-Q180 WeakPolarHBondContact OG-CG 3.34Å; S177-Q180 PolarHBondContact OG-N 3.32Å; S177-Q180 PolarHBondContact OG-OE1 2.86Å; S177-M181 WeakPolarHBondContact O-CG 3.27Å; S177-M181 PolarHBondContact O-N 3.46Å
178D98.6Very high96.9Very high72 Ų7243.2 Ų43.239%0.38522%0.215SC..Hα-helixtrans-53.9-34.8176.7-70.11.7000113Y182 R238 I242D178-Y182 PolarHBondContact O-N 3.39Å; D178-R238 WeakPolarHBondContact OD1-CD 3.31Å; D178-R238 IonicContact OD1-CZ 2.65Å; D178-R238 IonicContact OD1-NH1 3.89Å; D178-R238 PolarHBondContact OD1-NH1 2.86Å; D178-R238 WeakPolarHBondContact OD2-CD 3.37Å; D178-I242 HydrophobicContact CB-CD1 3.91Å
179S98Very high96.8Very high84 Ų8445.5 Ų45.559%0.58722%0.224SC*.Hα-helixtrans-70.2-41.1177.362.70000112.2S177 Y182 E183S177-S179 PolarHBondContact O-N 2.89Å; S177-S179 VanDerWaalsContact O-N 3.13Å; S177-S179 PolarHBondContact OG-OG 3.1Å; S179-Y182 PolarHBondContact O-N 2.95Å; S179-E183 PolarHBondContact O-N 2.99Å; S179-E183 VanDerWaalsContact O-N 3.16Å
180Q97.9Very high96.8Very high56 Ų5650.2 Ų50.226%0.26225%0.249SC..Hα-helixtrans-65.2-43.3174.2-66.9171.3-41.500110.5W144 C176 S177 Y182 E183 I184W144-Q180 HydrophobicContact CB-CB 4.33Å; W144-Q180 HydrophobicContact CB-CG 4.26Å; W144-Q180 HydrophobicContact CG-CB 4.34Å; W144-Q180 HydrophobicContact CG-CG 4.37Å; C176-Q180 HydrophobicContact CB-CB 4.37Å; S177-Q180 WeakPolarHBondContact O-CB 3.49Å; S177-Q180 PolarHBondContact O-N 3.49Å; S177-Q180 WeakPolarHBondContact OG-CG 3.34Å; S177-Q180 PolarHBondContact OG-N 3.32Å; S177-Q180 PolarHBondContact OG-OE1 2.86Å; Q180-Y182 VanDerWaalsContact C-N 3.34Å; Q180-Y182 PolarHBondContact O-N 2.74Å; Q180-E183 PolarHBondContact O-N 2.7Å; Q180-I184 HydrophobicContact CB-CD1 4.45Å; Q180-I184 WeakPolarHBondContact O-CB 3.43Å; Q180-I184 WeakPolarHBondContact O-CD1 3.36Å; Q180-I184 WeakPolarHBondContact O-CG1 3.36Å; Q180-I184 PolarHBondContact O-N 3.05Å
181M98.5Very high97Very high0 Ų049.2 Ų49.20%025%0.247CC..Hα-helixtrans-58.3-43.9175.3-69.3-178.971.300112.1V166 M168 C176 S177 E183 F185 V197 A239 I242V166-M181 HydrophobicContact CG2-CE 4.21Å; M168-M181 HydrophobicContact CE-CE 4.36Å; M168-M181 HydrophobicContact CE-SD 4.23Å; M168-M181 HydrophobicContact CG-CE 3.8Å; M168-M181 HydrophobicContact CG-SD 3.74Å; M168-M181 HydrophobicContact SD-CE 3.74Å; M168-M181 HydrophobicContact SD-SD 4.17Å; C176-M181 HydrophobicContact CB-CG 3.77Å; S177-M181 WeakPolarHBondContact O-CG 3.27Å; S177-M181 PolarHBondContact O-N 3.46Å; M181-E183 PolarHBondContact O-N 3.3Å; M181-F185 HydrophobicContact CB-CE2 4.45Å; M181-F185 HydrophobicContact CB-CZ 4.43Å; M181-F185 HydrophobicContact CE-CE1 4.49Å; M181-F185 HydrophobicContact CE-CE2 3.98Å; M181-F185 HydrophobicContact CE-CZ 3.56Å; M181-F185 WeakPolarHBondContact O-CB 3.37Å; M181-F185 WeakPolarHBondContact O-CD1 3.22Å; M181-F185 WeakPolarHBondContact O-CG 3.42Å; M181-F185 PolarHBondContact O-N 2.86Å; M181-V197 HydrophobicContact CE-CG1 4.29Å; M181-V197 HydrophobicContact CE-CG2 4.35Å; M181-A239 HydrophobicContact CE-CB 4.25Å; M181-I242 HydrophobicContact CB-CD1 4.31Å; M181-I242 HydrophobicContact CB-CG2 4.13Å; M181-I242 HydrophobicContact CE-CD1 4.37Å; M181-I242 HydrophobicContact SD-CD1 4.1Å
182Y98.6Very high97.2Very high113 Ų11346.5 Ų46.544%0.44324%0.235SC..Hα-helixtrans-62.4-40.7177.9-179.2-92.7000112.9D178 S179 Q180 S186 I242 Q245 A246D178-Y182 PolarHBondContact O-N 3.39Å; S179-Y182 PolarHBondContact O-N 2.95Å; Q180-Y182 VanDerWaalsContact C-N 3.34Å; Q180-Y182 PolarHBondContact O-N 2.74Å; Y182-S186 WeakPolarHBondContact O-CB 3.45Å; Y182-S186 PolarHBondContact O-N 2.95Å; Y182-S186 PolarHBondContact O-OG 2.91Å; Y182-I242 HydrophobicContact CD2-CG2 4.36Å; Y182-Q245 HydrophobicContact CD2-CB 4.36Å; Y182-Q245 HydrophobicContact CE2-CB 3.92Å; Y182-A246 HydrophobicContact CD2-CB 4.09Å; Y182-A246 HydrophobicContact CE2-CB 4.08Å
183E98.3Very high97.5Very high66 Ų6640.4 Ų40.431%0.30820%0.202SC..Hα-helixtrans-66.3-51.9177-167.8-174.6141.800111.2W144 S179 Q180 M181 F185 S186 I187W144-E183 HydrophobicContact CZ2-CG 4.25Å; W144-E183 WeakPolarHBondContact CZ2-OE1 3.44Å; W144-E183 PolarHBondContact NE1-OE1 2.96Å; W144-E183 PolarHBondContact NE1-OE2 3.44Å; S179-E183 PolarHBondContact O-N 2.99Å; S179-E183 VanDerWaalsContact O-N 3.16Å; Q180-E183 PolarHBondContact O-N 2.7Å; M181-E183 PolarHBondContact O-N 3.3Å; E183-F185 PolarHBondContact O-N 2.83Å; E183-S186 WeakPolarHBondContact O-CB 3.43Å; E183-S186 PolarHBondContact O-N 3.15Å; E183-S186 VanDerWaalsContact O-N 3.14Å; E183-I187 HydrophobicContact CG-CD1 4.46Å; E183-I187 PolarHBondContact O-N 3.19Å
184I98.4Very high97.9Very high0 Ų034 Ų340%018%0.178CC..Hα-helixtrans-57-47.7176.4-67.5162.8000110.8I141 W144 V166 Q180 S186 I187 I188I141-I184 HydrophobicContact CD1-CG2 3.75Å; I141-I184 HydrophobicContact CG2-CD1 4.21Å; W144-I184 HydrophobicContact CB-CD1 4.15Å; W144-I184 HydrophobicContact CD2-CD1 3.83Å; W144-I184 HydrophobicContact CD2-CG1 3.5Å; W144-I184 VanDerWaalsContact CD2-CG1 3.5Å; W144-I184 HydrophobicContact CE3-CD1 3.83Å; W144-I184 HydrophobicContact CE3-CG1 3.45Å; W144-I184 VanDerWaalsContact CE3-CG1 3.45Å; W144-I184 HydrophobicContact CG-CD1 3.97Å; W144-I184 HydrophobicContact CG-CG1 4.08Å; W144-I184 HydrophobicContact CH2-CG1 4.16Å; W144-I184 HydrophobicContact CZ2-CG1 4.2Å; W144-I184 HydrophobicContact CZ3-CG1 3.8Å; V166-I184 HydrophobicContact CG1-CD1 3.99Å; V166-I184 HydrophobicContact CG1-CG2 3.82Å; Q180-I184 HydrophobicContact CB-CD1 4.45Å; Q180-I184 WeakPolarHBondContact O-CB 3.43Å; Q180-I184 WeakPolarHBondContact O-CD1 3.36Å; Q180-I184 WeakPolarHBondContact O-CG1 3.36Å; Q180-I184 PolarHBondContact O-N 3.05Å; I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 PolarHBondContact O-N 2.86Å; I184-I187 PolarHBondContact O-N 2.84Å; I184-I188 HydrophobicContact CG2-CD1 3.54Å; I184-I188 HydrophobicContact CG2-CG1 4.16Å; I184-I188 WeakPolarHBondContact O-CB 3.5Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.4Å; I184-I188 PolarHBondContact O-N 3.49Å
185F98.7Very high98.1Very high0 Ų033.4 Ų33.40%017%0.174CC..Hα-helixtrans-64.1-34.7179.1-69.8-3.4000112.3V166 M181 E183 R189 A195 V197 I242 A243 A246 C248 L250V166-F185 HydrophobicContact CG2-CE1 3.72Å; V166-F185 HydrophobicContact CG2-CZ 4.09Å; M181-F185 HydrophobicContact CB-CE2 4.45Å; M181-F185 HydrophobicContact CB-CZ 4.43Å; M181-F185 HydrophobicContact CE-CE1 4.49Å; M181-F185 HydrophobicContact CE-CE2 3.98Å; M181-F185 HydrophobicContact CE-CZ 3.56Å; M181-F185 WeakPolarHBondContact O-CB 3.37Å; M181-F185 WeakPolarHBondContact O-CD1 3.22Å; M181-F185 WeakPolarHBondContact O-CG 3.42Å; M181-F185 PolarHBondContact O-N 2.86Å; E183-F185 PolarHBondContact O-N 2.83Å; F185-R189 VanDerWaalsContact O-CB 3.27Å; F185-R189 WeakPolarHBondContact O-CB 3.43Å; F185-R189 PolarHBondContact O-N 2.95Å; F185-A195 HydrophobicContact CD1-CB 3.58Å; F185-A195 HydrophobicContact CE1-CB 3.65Å; F185-A195 HydrophobicContact CG-CB 4.35Å; F185-A195 HydrophobicContact CZ-CB 4.46Å; F185-V197 HydrophobicContact CE1-CG2 4.17Å; F185-V197 HydrophobicContact CZ-CG2 3.65Å; F185-I242 HydrophobicContact CD2-CB 4.44Å; F185-I242 HydrophobicContact CD2-CG2 3.82Å; F185-I242 HydrophobicContact CE2-CB 4.28Å; F185-I242 HydrophobicContact CE2-CG2 4.01Å; F185-A243 HydrophobicContact CD2-CB 3.87Å; F185-A243 HydrophobicContact CE2-CB 3.9Å; F185-A246 HydrophobicContact CB-CB 3.8Å; F185-C248 HydrophobicContact CB-CB 3.8Å; F185-C248 HydrophobicContact CG-CB 4.45Å; F185-C248 WeakPolarHBondContact O-CB 3.19Å; F185-C248 PolarHBondContact O-SG 3.36Å; F185-L250 HydrophobicContact CE2-CD1 4.39Å; F185-L250 HydrophobicContact CZ-CD1 4.14Å
186S97.8Very high98.2Very high21 Ų2131.2 Ų31.215%0.14716%0.164CC..Hα-helixtrans-65.5-42174.2-64.80000111.7Y182 E183 I184 R189 D190Y182-S186 WeakPolarHBondContact O-CB 3.45Å; Y182-S186 PolarHBondContact O-N 2.95Å; Y182-S186 PolarHBondContact O-OG 2.91Å; E183-S186 WeakPolarHBondContact O-CB 3.43Å; E183-S186 PolarHBondContact O-N 3.15Å; E183-S186 VanDerWaalsContact O-N 3.14Å; I184-S186 VanDerWaalsContact C-N 3.29Å; I184-S186 PolarHBondContact O-N 2.86Å; S186-R189 PolarHBondContact O-NH2 2.87Å; S186-D190 VanDerWaalsContact O-CG 3.32Å; S186-D190 PolarHBondContact O-N 3.44Å
187I98.3Very high98.3Very high18 Ų1831 Ų319%0.09216%0.163CC..Hα-helixtrans-66.6-50.2176.1-67.5165.4000110.7W144 K149 L152 E183 I184 R189 D190 L191W144-I187 HydrophobicContact CH2-CD1 3.56Å; W144-I187 HydrophobicContact CZ2-CD1 3.56Å; K149-I187 HydrophobicContact CB-CD1 4.37Å; K149-I187 HydrophobicContact CD-CD1 4.08Å; K149-I187 HydrophobicContact CG-CD1 4.16Å; K149-I187 HydrophobicContact CG-CG2 4.14Å; L152-I187 HydrophobicContact CD1-CG2 4.03Å; E183-I187 HydrophobicContact CG-CD1 4.46Å; E183-I187 PolarHBondContact O-N 3.19Å; I184-I187 PolarHBondContact O-N 2.84Å; I187-R189 VanDerWaalsContact C-N 3.28Å; I187-R189 PolarHBondContact O-N 2.85Å; I187-D190 PolarHBondContact O-N 3.02Å; I187-L191 HydrophobicContact CG2-CD1 3.89Å; I187-L191 HydrophobicContact CG2-CG 4.27Å; I187-L191 WeakPolarHBondContact O-CG 3.22Å; I187-L191 PolarHBondContact O-N 3.34Å
188I98.3Very high98.3Very high0 Ų028.7 Ų28.70%015%0.146CC..Hα-helixtrans-55.6-42.6178.1-72.6175.6000111.6I141 F164 I184 L191 G192 A193 A195 Y479I141-I188 HydrophobicContact CD1-CD1 4.49Å; F164-I188 HydrophobicContact CB-CD1 3.89Å; F164-I188 HydrophobicContact CD2-CD1 4.22Å; F164-I188 HydrophobicContact CD2-CG1 4.04Å; F164-I188 HydrophobicContact CG-CD1 4.44Å; I184-I188 HydrophobicContact CG2-CD1 3.54Å; I184-I188 HydrophobicContact CG2-CG1 4.16Å; I184-I188 WeakPolarHBondContact O-CB 3.5Å; I184-I188 VanDerWaalsContact O-CG1 3.32Å; I184-I188 WeakPolarHBondContact O-CG1 3.4Å; I184-I188 PolarHBondContact O-N 3.49Å; I188-L191 PolarHBondContact O-N 3.49Å; I188-G192 PolarHBondContact O-N 2.93Å; I188-A193 HydrophobicContact CG2-CB 3.91Å; I188-A193 WeakPolarHBondContact CG2-O 3.43Å; I188-A193 PolarHBondContact O-N 2.82Å; I188-A195 HydrophobicContact CD1-CB 4.07Å; I188-A195 HydrophobicContact CG2-CB 4.08Å; I188-Y479 PolarHBondContact O-OH 3.32Å
189R97.3Very high98.3Very high47 Ų4725.3 Ų25.318%0.17713%0.129CC..Hα-helixtrans-56.2-49.6174.1176.2-159.867.1-131.8-5.7111.7F185 S186 I187 G192 A246 N247 C248 Y479F185-R189 VanDerWaalsContact O-CB 3.27Å; F185-R189 WeakPolarHBondContact O-CB 3.43Å; F185-R189 PolarHBondContact O-N 2.95Å; S186-R189 PolarHBondContact O-NH2 2.87Å; I187-R189 VanDerWaalsContact C-N 3.28Å; I187-R189 PolarHBondContact O-N 2.85Å; R189-G192 PolarHBondContact O-N 2.9Å; R189-G192 VanDerWaalsContact O-N 3.11Å; R189-A246 VanDerWaalsContact CD-O 3.31Å; R189-A246 WeakPolarHBondContact CD-O 3.24Å; R189-A246 PolarHBondContact NH1-O 3.23Å; R189-N247 WeakPolarHBondContact CD-O 3.45Å; R189-C248 HydrophobicContact CB-CB 4.16Å; R189-Y479 WeakPolarHBondContact CA-OH 3.32Å; R189-Y479 PolarHBondContact O-OH 2.85Å
190D97Very high98.3Very high102 Ų10221.4 Ų21.455%0.54510%0.101SC..Hα-helixtrans-72.7-30.1-174-67.7-16.4000112.3S186 I187 G192S186-D190 VanDerWaalsContact O-CG 3.32Å; S186-D190 PolarHBondContact O-N 3.44Å; I187-D190 PolarHBondContact O-N 3.02Å; D190-G192 PolarHBondContact O-N 3.07Å
191L98.2Very high98.4Very high22 Ų2219.7 Ų19.712%0.1159%0.094CC..Hα-helixtrans-71.7-14.7170-62.4179.9000113.6L152 E153 V156 I187 I188 T473L152-L191 HydrophobicContact CB-CD1 3.73Å; E153-L191 HydrophobicContact CG-CD2 3.5Å; E153-L191 VanDerWaalsContact CG-CD2 3.5Å; V156-L191 HydrophobicContact CG1-CB 4.48Å; V156-L191 HydrophobicContact CG2-CB 4.18Å; V156-L191 HydrophobicContact CG2-CD1 4.28Å; I187-L191 HydrophobicContact CG2-CD1 3.89Å; I187-L191 HydrophobicContact CG2-CG 4.27Å; I187-L191 WeakPolarHBondContact O-CG 3.22Å; I187-L191 PolarHBondContact O-N 3.34Å; I188-L191 PolarHBondContact O-N 3.49Å; L191-T473 VanDerWaalsContact O-CB 3.28Å; L191-T473 WeakPolarHBondContact O-CB 3.11Å; L191-T473 WeakPolarHBondContact O-CG2 3.45Å; L191-T473 PolarHBondContact O-OG1 3.2Å
192G98.1Very high98.4Very high0 Ų019.8 Ų19.80%010%0.095CC..THydrogen-bonded Turntrans77.721.3-175.400000113.9I188 R189 D190 T473 F474 Y479I188-G192 PolarHBondContact O-N 2.93Å; R189-G192 PolarHBondContact O-N 2.9Å; R189-G192 VanDerWaalsContact O-N 3.11Å; D190-G192 PolarHBondContact O-N 3.07Å; G192-T473 WeakPolarHBondContact O-CB 3.24Å; G192-F474 PolarHBondContact O-N 3.5Å; G192-Y479 VanDerWaalsContact C-CE2 3.47Å; G192-Y479 VanDerWaalsContact C-CZ 3.49Å; G192-Y479 VanDerWaalsContact C-OH 3.32Å; G192-Y479 VanDerWaalsContact CA-CZ 3.46Å; G192-Y479 WeakPolarHBondContact CA-OH 3.37Å; G192-Y479 VanDerWaalsContact O-CE2 3.3Å; G192-Y479 WeakPolarHBondContact O-CE2 3.34Å
193A98.6Very high98.4Very high0 Ų017.7 Ų17.70%09%0.091CC..  trans-94.9174.9179.600000111.9V156 N162 F164 I188 Y479V156-A193 HydrophobicContact CG2-CB 4.37Å; N162-A193 CarbonylContact O-C 3.49Å; N162-A193 VanDerWaalsContact O-CA 3.28Å; N162-A193 WeakPolarHBondContact O-CA 3.48Å; N162-A193 WeakPolarHBondContact O-CB 3.48Å; F164-A193 HydrophobicContact CD2-CB 3.93Å; F164-A193 HydrophobicContact CE2-CB 3.7Å; I188-A193 HydrophobicContact CG2-CB 3.91Å; I188-A193 WeakPolarHBondContact CG2-O 3.43Å; I188-A193 PolarHBondContact O-N 2.82Å; A193-Y479 PolarHBondContact N-OH 3.47Å; A193-Y479 WeakPolarHBondContact O-CE2 3.49Å; A193-Y479 PolarHBondContact O-OH 3.01Å
194L98.7Very high98.4Very high1 Ų118.3 Ų18.31%0.00510%0.095CC..EExtended strand (participates in β ladder)trans-107.2128.8178.6-177.364.1000110.5N162 S163 F164 Q196 P249 Y251 F275 I391 F392 V478N162-L194 PolarHBondContact O-N 2.65Å; S163-L194 WeakPolarHBondContact CA-O 3.09Å; F164-L194 PolarHBondContact N-O 2.85Å; F164-L194 VanDerWaalsContact N-O 3.07Å; L194-Q196 PolarHBondContact O-N 3.15Å; L194-P249 HydrophobicContact CD1-CB 3.86Å; L194-P249 HydrophobicContact CD1-CG 4.15Å; L194-Y251 HydrophobicContact CD2-CD2 3.87Å; L194-Y251 HydrophobicContact CD2-CG 4.15Å; L194-F275 HydrophobicContact CD1-CD2 4.4Å; L194-F275 HydrophobicContact CD1-CE2 4.5Å; L194-I391 HydrophobicContact CD2-CG2 3.46Å; L194-I391 VanDerWaalsContact CD2-CG2 3.46Å; L194-F392 HydrophobicContact CD2-CD1 4.31Å; L194-F392 HydrophobicContact CD2-CE1 3.69Å; L194-F392 HydrophobicContact CD2-CZ 4.23Å; L194-V478 HydrophobicContact CD1-CG1 4.26Å
195A98.8Very high98.4Very high0 Ų018.7 Ų18.70%010%0.098CC..EExtended strand (participates in β ladder)trans-83.2115.4173.100000109.3F185 I188 P249 L250 Y251F185-A195 HydrophobicContact CD1-CB 3.58Å; F185-A195 HydrophobicContact CE1-CB 3.65Å; F185-A195 HydrophobicContact CG-CB 4.35Å; F185-A195 HydrophobicContact CZ-CB 4.46Å; I188-A195 HydrophobicContact CD1-CB 4.07Å; I188-A195 HydrophobicContact CG2-CB 4.08Å; A195-P249 PolarHBondContact N-O 3.1Å; A195-L250 CarbonylContact O-C 3.09Å; A195-Y251 PolarHBondContact O-N 2.68Å
196Q98.9Very high98.3Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-92.8147.7167.8-67.5174.4-27.900109.5H107 H138 F164 L165 V166 L194 Y251 T253H107-Q196 PolarHBondContact CE1-OE1 2.99Å; H138-Q196 PolarHBondContact CE1-NE2 3Å; H138-Q196 PolarHBondContact ND1-NE2 3.2Å; H138-Q196 PolarHBondContact NE2-NE2 3.05Å; F164-Q196 WeakPolarHBondContact O-CB 3.3Å; F164-Q196 PolarHBondContact O-N 3.22Å; L165-Q196 WeakPolarHBondContact CA-O 3.39Å; L165-Q196 HydrophobicContact CB-CB 4.22Å; L165-Q196 HydrophobicContact CD1-CB 3.66Å; V166-Q196 PolarHBondContact N-O 3.47Å; L194-Q196 PolarHBondContact O-N 3.15Å; Q196-Y251 CarbonylContact C-O 3.57Å; Q196-Y251 VanDerWaalsContact CA-O 3.24Å; Q196-Y251 WeakPolarHBondContact CA-O 3.36Å; Q196-Y251 HydrophobicContact CG-CD1 3.86Å; Q196-Y251 HydrophobicContact CG-CG 4.16Å; Q196-T253 HydrophobicContact CB-CG2 3.98Å; Q196-T253 HydrophobicContact CG-CG2 4.29Å
197V98.9Very high98.4Very high0 Ų024.7 Ų24.70%012%0.124CC..EExtended strand (participates in β ladder)trans-132.7135.9175.2-173.80000110.8V166 M168 M181 F185 A199 A239 L250 Y251 I252 T253V166-V197 HydrophobicContact CG2-CB 4.48Å; V166-V197 HydrophobicContact CG2-CG1 4.42Å; V166-V197 HydrophobicContact CG2-CG2 3.81Å; V166-V197 WeakPolarHBondContact O-CA 3.04Å; M168-V197 HydrophobicContact CG-CG1 3.84Å; M168-V197 HydrophobicContact SD-CG1 3.71Å; M181-V197 HydrophobicContact CE-CG1 4.29Å; M181-V197 HydrophobicContact CE-CG2 4.35Å; F185-V197 HydrophobicContact CE1-CG2 4.17Å; F185-V197 HydrophobicContact CZ-CG2 3.65Å; V197-A199 HydrophobicContact CG1-CB 3.92Å; V197-A239 HydrophobicContact CG1-CB 4.22Å; V197-A239 HydrophobicContact CG2-CB 4.33Å; V197-L250 HydrophobicContact CB-CD1 4.46Å; V197-L250 HydrophobicContact CG2-CD1 3.47Å; V197-L250 VanDerWaalsContact CG2-CD1 3.47Å; V197-Y251 PolarHBondContact N-O 3.17Å; V197-I252 HydrophobicContact CB-CD1 4.35Å; V197-T253 PolarHBondContact O-N 3.11Å; V197-T253 PolarHBondContact O-OG1 3.06Å
198H98.7Very high98.4Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-95.1107.6158.3168.866.6000107.7L165 V166 F167 M168 A169 Y170 E200 K254 S304L165-H198 HydrophobicContact CD1-CB 4.29Å; V166-H198 PolarHBondContact O-N 2.82Å; F167-H198 HydrophobicContact CD1-CB 3.84Å; F167-H198 AromaticContact CD1-CD2 3.71Å; F167-H198 HydrophobicContact CE1-CB 4.35Å; M168-H198 PolarHBondContact N-O 3.24Å; A169-H198 WeakPolarHBondContact CB-NE2 3.14Å; Y170-H198 AromaticContact CE2-CD2 3.58Å; Y170-H198 AromaticContact CE2-NE2 3.45Å; Y170-H198 WeakPolarHBondContact CE2-NE2 3.36Å; Y170-H198 AromaticContact CZ-NE2 3.65Å; H198-E200 IonicContact CE1-OE2 3.69Å; H198-E200 PolarHBondContact CE1-OE2 2.83Å; H198-E200 IonicContact NE2-OE2 3.45Å; H198-E200 PolarHBondContact NE2-OE2 3.3Å; H198-K254 WeakPolarHBondContact ND1-CE 3.44Å; H198-K254 PolarHBondContact ND1-NZ 2.9Å; H198-S304 PolarHBondContact CE1-O 3.38Å
199A98.6Very high98.4Very high2 Ų227.7 Ų27.72%0.01714%0.137CC..  trans-111.386.9-161.100000111.4M168 V197 E232 A235 V236M168-A199 HydrophobicContact SD-CB 4.19Å; V197-A199 HydrophobicContact CG1-CB 3.92Å; A199-E232 WeakPolarHBondContact O-CA 3.31Å; A199-E232 WeakPolarHBondContact O-CG 3.49Å; A199-A235 VanDerWaalsContact C-CB 3.4Å; A199-A235 HydrophobicContact CB-CB 4Å; A199-V236 HydrophobicContact CB-CG2 3.57Å
200E98.7Very high98.4Very high1 Ų129.3 Ų29.31%0.00515%0.146CC..  trans-132.2153.8163-58.5177.276.600108.3M168 A169 H198 G202 H227 V231 A235 S304 P305M168-E200 CarbonylContact C-O 3.5Å; M168-E200 VanDerWaalsContact CB-O 3.24Å; M168-E200 WeakPolarHBondContact CB-O 3.44Å; A169-E200 HydrophobicContact CB-CB 4.07Å; A169-E200 PolarHBondContact N-O 2.93Å; H198-E200 IonicContact CE1-OE2 3.69Å; H198-E200 PolarHBondContact CE1-OE2 2.83Å; H198-E200 IonicContact NE2-OE2 3.45Å; H198-E200 PolarHBondContact NE2-OE2 3.3Å; E200-G202 PolarHBondContact O-N 2.94Å; E200-G202 VanDerWaalsContact O-N 3.11Å; E200-H227 IonicContact OE1-CE1 3.77Å; E200-H227 IonicContact OE1-CG 2.81Å; E200-H227 IonicContact OE1-ND1 3.89Å; E200-H227 PolarHBondContact OE1-ND1 3.13Å; E200-H227 IonicContact OE2-ND1 3.79Å; E200-V231 WeakPolarHBondContact CA-O 3.49Å; E200-V231 HydrophobicContact CB-CG2 4.29Å; E200-A235 VanDerWaalsContact C-CB 3.49Å; E200-S304 WeakPolarHBondContact OE2-CB 3.48Å; E200-P305 VanDerWaalsContact CD-CA 3.48Å; E200-P305 HydrophobicContact CG-CB 4Å; E200-P305 HydrophobicContact CG-CG 3.77Å; E200-P305 VanDerWaalsContact OE2-CA 3.23Å; E200-P305 WeakPolarHBondContact OE2-CA 3.34Å; E200-P305 VanDerWaalsContact OE2-N 3.1Å
201N98.7Very high98.5Very high21 Ų2129.5 Ų29.511%0.11214%0.139CC..  trans-77.595.9176.2-170.2-53.4000110.6D203 I204 V205 V231 E234 R238N201-D203 VanDerWaalsContact C-N 3.26Å; N201-D203 PolarHBondContact O-N 2.61Å; N201-D203 PolarHBondContact OD1-N 3Å; N201-I204 HydrophobicContact CB-CB 4.36Å; N201-I204 HydrophobicContact CB-CD1 4.17Å; N201-I204 HydrophobicContact CB-CG1 4.41Å; N201-I204 PolarHBondContact O-N 3.42Å; N201-I204 PolarHBondContact OD1-N 3.36Å; N201-I204 VanDerWaalsContact OD1-N 3.14Å; N201-V205 WeakPolarHBondContact O-CG2 3.3Å; N201-V205 PolarHBondContact O-N 3.11Å; N201-V231 HydrophobicContact CB-CB 3.99Å; N201-V231 HydrophobicContact CB-CG1 4.49Å; N201-V231 PolarHBondContact N-O 3.29Å; N201-E234 PolarHBondContact ND2-OE2 3.49Å; N201-R238 PolarHBondContact ND2-NH2 3.26Å
202G98.3Very high98.5Very high2 Ų228.7 Ų28.72%0.02113%0.134CC..Hα-helixtrans-59.2-29.5-175.400000115.7M168 E200 E206M168-G202 PolarHBondContact O-N 3.25Å; E200-G202 PolarHBondContact O-N 2.94Å; E200-G202 VanDerWaalsContact O-N 3.11Å; G202-E206 WeakPolarHBondContact O-CB 3.46Å; G202-E206 PolarHBondContact O-N 3.34Å; G202-E206 VanDerWaalsContact O-N 3.1Å
203D98.4Very high98.6Very high69 Ų6931.2 Ų31.237%0.36915%0.148SC..Hα-helixtrans-71-45.8176.8-74.8-81000112.1K171 Q175 N201 E206 E207K171-D203 VanDerWaalsContact CD-OD1 3.24Å; K171-D203 WeakPolarHBondContact CD-OD1 3.37Å; K171-D203 WeakPolarHBondContact CE-OD1 3.22Å; K171-D203 IonicContact NZ-OD1 3.34Å; K171-D203 PolarHBondContact NZ-OD1 3.42Å; Q175-D203 PolarHBondContact NE2-OD2 3.18Å; N201-D203 VanDerWaalsContact C-N 3.26Å; N201-D203 PolarHBondContact O-N 2.61Å; N201-D203 PolarHBondContact OD1-N 3Å; D203-E206 PolarHBondContact O-N 3.45Å; D203-E207 WeakPolarHBondContact O-CG 3.38Å; D203-E207 PolarHBondContact O-N 3.07Å
204I98.4Very high98.6Very high78 Ų7839.3 Ų39.340%0.419%0.186SC..Hα-helixtrans-67-42.9178.1-63.2172.1000110.4N201 E206 E207 E208 V231N201-I204 HydrophobicContact CB-CB 4.36Å; N201-I204 HydrophobicContact CB-CD1 4.17Å; N201-I204 HydrophobicContact CB-CG1 4.41Å; N201-I204 PolarHBondContact O-N 3.42Å; N201-I204 PolarHBondContact OD1-N 3.36Å; N201-I204 VanDerWaalsContact OD1-N 3.14Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 3.16Å; I204-E207 PolarHBondContact O-N 3.13Å; I204-E208 HydrophobicContact CG2-CG 4.28Å; I204-E208 WeakPolarHBondContact O-CB 3.44Å; I204-E208 WeakPolarHBondContact O-CG 3.46Å; I204-E208 PolarHBondContact O-N 3.14Å; I204-V231 HydrophobicContact CB-CG1 4.02Å; I204-V231 HydrophobicContact CD1-CG1 4.42Å; I204-V231 HydrophobicContact CG2-CG1 3.63Å
205V98.4Very high98.5Very high9 Ų944.6 Ų44.66%0.05521%0.213CC..Hα-helixtrans-56.1-48176165.90000111.1N201 E207 E208 Q209 H227 V231N201-V205 WeakPolarHBondContact O-CG2 3.3Å; N201-V205 PolarHBondContact O-N 3.11Å; V205-E207 PolarHBondContact O-N 3.05Å; V205-E208 PolarHBondContact O-N 3.24Å; V205-Q209 HydrophobicContact CG1-CG 4.37Å; V205-Q209 WeakPolarHBondContact O-CB 3.18Å; V205-Q209 VanDerWaalsContact O-CG 3.22Å; V205-Q209 WeakPolarHBondContact O-CG 3.4Å; V205-Q209 PolarHBondContact O-N 3.08Å; V205-H227 VanDerWaalsContact CG1-CE1 3.44Å; V205-H227 WeakPolarHBondContact CG1-CE1 3.41Å; V205-H227 VanDerWaalsContact CG1-NE2 3.35Å; V205-H227 WeakPolarHBondContact CG1-NE2 3.45Å; V205-V231 HydrophobicContact CG2-CG2 3.87Å
206E98.1Very high98.5Very high47 Ų4747.1 Ų47.122%0.2224%0.239CC..Hα-helixtrans-64.3-40.2-178-160.9-144.616600112.6K171 G202 D203 I204 K210K171-E206 HydrophobicContact CD-CB 4.48Å; K171-E206 WeakPolarHBondContact CD-OE2 3.25Å; K171-E206 WeakPolarHBondContact CE-OE2 3.45Å; K171-E206 IonicContact NZ-OE2 2.66Å; K171-E206 PolarHBondContact NZ-OE2 3.41Å; G202-E206 WeakPolarHBondContact O-CB 3.46Å; G202-E206 PolarHBondContact O-N 3.34Å; G202-E206 VanDerWaalsContact O-N 3.1Å; D203-E206 PolarHBondContact O-N 3.45Å; I204-E206 VanDerWaalsContact C-N 3.34Å; I204-E206 PolarHBondContact O-N 3.16Å; E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 3.33Å; E206-K210 WeakPolarHBondContact OE1-CE 3.39Å; E206-K210 IonicContact OE1-NZ 2.75Å; E206-K210 PolarHBondContact OE1-NZ 3.33Å; E206-K210 IonicContact OE2-NZ 2.72Å; E206-K210 PolarHBondContact OE2-NZ 2.95Å
207E98.3Very high98.5Very high100 Ų10049.4 Ų49.447%0.46725%0.251SS..Hα-helixtrans-70.7-40.1177.9-65.9-58.7117.300112.2D203 I204 V205 K210 R211D203-E207 WeakPolarHBondContact O-CG 3.38Å; D203-E207 PolarHBondContact O-N 3.07Å; I204-E207 PolarHBondContact O-N 3.13Å; V205-E207 PolarHBondContact O-N 3.05Å; E207-K210 PolarHBondContact O-N 3Å; E207-K210 IonicContact OE1-NZ 2.56Å; E207-K210 PolarHBondContact OE1-NZ 3.34Å; E207-R211 WeakPolarHBondContact O-CB 3.33Å; E207-R211 PolarHBondContact O-N 3.25Å
208E98.4Very high98.5Very high47 Ų4752.1 Ų52.122%0.2227%0.267CS..Hα-helixtrans-68.3-35.8175.5-74.6-64.7113.700112.3I204 V205 K210 R211 L212I204-E208 HydrophobicContact CG2-CG 4.28Å; I204-E208 WeakPolarHBondContact O-CB 3.44Å; I204-E208 WeakPolarHBondContact O-CG 3.46Å; I204-E208 PolarHBondContact O-N 3.14Å; V205-E208 PolarHBondContact O-N 3.24Å; E208-K210 PolarHBondContact O-N 2.85Å; E208-R211 VanDerWaalsContact CD-NE 3.27Å; E208-R211 PolarHBondContact O-N 3.32Å; E208-R211 WeakPolarHBondContact OE1-CD 3.49Å; E208-R211 IonicContact OE1-CZ 3.56Å; E208-R211 IonicContact OE1-NE 3.56Å; E208-R211 PolarHBondContact OE1-NE 3.36Å; E208-R211 IonicContact OE1-NH2 3.64Å; E208-R211 IonicContact OE2-CZ 3.72Å; E208-R211 VanDerWaalsContact OE2-CZ 3.23Å; E208-R211 IonicContact OE2-NE 2.65Å; E208-R211 PolarHBondContact OE2-NE 3.12Å; E208-R211 IonicContact OE2-NH2 3.89Å; E208-R211 PolarHBondContact OE2-NH2 3.05Å; E208-L212 WeakPolarHBondContact O-CB 3.5Å; E208-L212 VanDerWaalsContact O-CG 3.31Å; E208-L212 WeakPolarHBondContact O-CG 3.48Å; E208-L212 PolarHBondContact O-N 3.27Å
209Q98.5Very high98.5Very high34 Ų3452.6 Ų52.616%0.15927%0.272CS..Hα-helixtrans-58.6-46.5172-78-179-0.200111.5V205 L213 S226 H227 F348 T349V205-Q209 HydrophobicContact CG1-CG 4.37Å; V205-Q209 WeakPolarHBondContact O-CB 3.18Å; V205-Q209 VanDerWaalsContact O-CG 3.22Å; V205-Q209 WeakPolarHBondContact O-CG 3.4Å; V205-Q209 PolarHBondContact O-N 3.08Å; Q209-L213 WeakPolarHBondContact O-CG 3.22Å; Q209-L213 PolarHBondContact O-N 3.37Å; Q209-S226 WeakPolarHBondContact CG-OG 3.4Å; Q209-H227 PolarHBondContact NE2-NE2 3.05Å; Q209-F348 HydrophobicContact CB-CZ 4.48Å; Q209-F348 HydrophobicContact CG-CE2 4Å; Q209-F348 HydrophobicContact CG-CZ 4.27Å; Q209-T349 HydrophobicContact CB-CG2 3.99Å; Q209-T349 HydrophobicContact CG-CG2 3.97Å
210K98.4Very high98.5Very high80 Ų8052.6 Ų52.635%0.34827%0.273SS..Hα-helixtrans-59.9-50.8174.2-66.2163-165.1168.20111E206 E207 E208 L212 L213 E214E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 3.33Å; E206-K210 WeakPolarHBondContact OE1-CE 3.39Å; E206-K210 IonicContact OE1-NZ 2.75Å; E206-K210 PolarHBondContact OE1-NZ 3.33Å; E206-K210 IonicContact OE2-NZ 2.72Å; E206-K210 PolarHBondContact OE2-NZ 2.95Å; E207-K210 PolarHBondContact O-N 3Å; E207-K210 IonicContact OE1-NZ 2.56Å; E207-K210 PolarHBondContact OE1-NZ 3.34Å; E208-K210 PolarHBondContact O-N 2.85Å; K210-L212 PolarHBondContact O-N 2.91Å; K210-L213 PolarHBondContact O-N 2.74Å; K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 2.92Å
211R98.6Very high98.5Very high106 Ų10655.1 Ų55.140%0.428%0.284SS..Hα-helixtrans-58.1-42.4-177.4-168.6-175.37072.21.3112.8E207 E208 E214 L215E207-R211 WeakPolarHBondContact O-CB 3.33Å; E207-R211 PolarHBondContact O-N 3.25Å; E208-R211 VanDerWaalsContact CD-NE 3.27Å; E208-R211 PolarHBondContact O-N 3.32Å; E208-R211 WeakPolarHBondContact OE1-CD 3.49Å; E208-R211 IonicContact OE1-CZ 3.56Å; E208-R211 IonicContact OE1-NE 3.56Å; E208-R211 PolarHBondContact OE1-NE 3.36Å; E208-R211 IonicContact OE1-NH2 3.64Å; E208-R211 IonicContact OE2-CZ 3.72Å; E208-R211 VanDerWaalsContact OE2-CZ 3.23Å; E208-R211 IonicContact OE2-NE 2.65Å; E208-R211 PolarHBondContact OE2-NE 3.12Å; E208-R211 IonicContact OE2-NH2 3.89Å; E208-R211 PolarHBondContact OE2-NH2 3.05Å; R211-E214 PolarHBondContact O-N 2.82Å; R211-L215 VanDerWaalsContact NH1-CD1 3.27Å; R211-L215 VanDerWaalsContact O-CG 3.32Å; R211-L215 WeakPolarHBondContact O-CG 3.25Å; R211-L215 PolarHBondContact O-N 2.82Å; R211-L215 VanDerWaalsContact O-N 3.13Å
212L98.7Very high98.5Very high5 Ų554.1 Ų54.13%0.02628%0.279CS..Hα-helixtrans-70.1-38.6179.7-68.6175.5000112.3E208 K210 L215 G216 I217 G222 L225 F348E208-L212 WeakPolarHBondContact O-CB 3.5Å; E208-L212 VanDerWaalsContact O-CG 3.31Å; E208-L212 WeakPolarHBondContact O-CG 3.48Å; E208-L212 PolarHBondContact O-N 3.27Å; K210-L212 PolarHBondContact O-N 2.91Å; L212-L215 CarbonylContact O-C 3.36Å; L212-L215 PolarHBondContact O-N 3.36Å; L212-G216 PolarHBondContact O-N 2.82Å; L212-I217 HydrophobicContact CB-CB 4.33Å; L212-I217 HydrophobicContact CD2-CD1 3.78Å; L212-I217 WeakPolarHBondContact O-CB 3.45Å; L212-I217 PolarHBondContact O-N 3.47Å; L212-G222 WeakPolarHBondContact CD1-O 3.5Å; L212-L225 HydrophobicContact CD1-CB 3.6Å; L212-L225 HydrophobicContact CD2-CB 4.41Å; L212-F348 HydrophobicContact CB-CE1 4.24Å; L212-F348 HydrophobicContact CB-CZ 4.31Å; L212-F348 HydrophobicContact CD1-CZ 4.42Å
213L98.6Very high98.5Very high54 Ų5454.1 Ų54.128%0.28328%0.278SS..Hα-helixtrans-66-39174.6-67.9172.3000111.9Q209 K210 L215 G216 T218 N347 F348 T349Q209-L213 WeakPolarHBondContact O-CG 3.22Å; Q209-L213 PolarHBondContact O-N 3.37Å; K210-L213 PolarHBondContact O-N 2.74Å; L213-L215 VanDerWaalsContact C-N 3.27Å; L213-L215 PolarHBondContact O-N 3.07Å; L213-G216 PolarHBondContact O-N 3.17Å; L213-T218 HydrophobicContact CD2-CG2 4.09Å; L213-N347 WeakPolarHBondContact CD2-OD1 3.44Å; L213-F348 HydrophobicContact CD2-CD1 3.98Å; L213-F348 HydrophobicContact CD2-CE1 3.75Å; L213-F348 HydrophobicContact CG-CE1 3.95Å; L213-F348 HydrophobicContact CG-CZ 4.49Å; L213-T349 HydrophobicContact CD1-CG2 4Å
214E98.5Very high98.5Very high170 Ų17051.2 Ų51.279%0.79426%0.263SS*.Hα-helixtrans-62.9-31.8172.8-73.4179.617700112.9K210 R211 G216K210-E214 WeakPolarHBondContact O-CG 3.49Å; K210-E214 PolarHBondContact O-N 2.92Å; R211-E214 PolarHBondContact O-N 2.82Å; E214-G216 PolarHBondContact O-N 2.73Å
215L98.4Very high98.5Very high111 Ų11151.1 Ų51.158%0.58126%0.263SS*.THydrogen-bonded Turntrans-78-0.3171.9-68.8172.9000113.7R211 L212 L213 I217R211-L215 VanDerWaalsContact NH1-CD1 3.27Å; R211-L215 VanDerWaalsContact O-CG 3.32Å; R211-L215 WeakPolarHBondContact O-CG 3.25Å; R211-L215 PolarHBondContact O-N 2.82Å; R211-L215 VanDerWaalsContact O-N 3.13Å; L212-L215 CarbonylContact O-C 3.36Å; L212-L215 PolarHBondContact O-N 3.36Å; L213-L215 VanDerWaalsContact C-N 3.27Å; L213-L215 PolarHBondContact O-N 3.07Å; L215-I217 VanDerWaalsContact C-N 3.33Å; L215-I217 HydrophobicContact CB-CD1 4.43Å
216G98.4Very high98.5Very high53 Ų5350.7 Ų50.755%0.54626%0.26SS..THydrogen-bonded Turntrans77.213.2-178.900000114.7L212 L213 E214 T218L212-G216 PolarHBondContact O-N 2.82Å; L213-G216 PolarHBondContact O-N 3.17Å; E214-G216 PolarHBondContact O-N 2.73Å; G216-T218 PolarHBondContact O-N 3.2Å
217I98.7Very high98.5Very high49 Ų4948.8 Ų48.825%0.25125%0.251SS..  trans-84.197.5174.9-60.2168.5000107.7L212 L215 E221 F348L212-I217 HydrophobicContact CB-CB 4.33Å; L212-I217 HydrophobicContact CD2-CD1 3.78Å; L212-I217 WeakPolarHBondContact O-CB 3.45Å; L212-I217 PolarHBondContact O-N 3.47Å; L215-I217 VanDerWaalsContact C-N 3.33Å; L215-I217 HydrophobicContact CB-CD1 4.43Å; I217-E221 HydrophobicContact CG2-CG 4.22Å; I217-F348 WeakPolarHBondContact O-CE1 3.39Å
218T98.6Very high98.3Very high56 Ų5646.3 Ų46.334%0.34424%0.244SC..  trans-110.9-10.1-175.356.50000114.2L213 G216 D346 F348L213-T218 HydrophobicContact CD2-CG2 4.09Å; G216-T218 PolarHBondContact O-N 3.2Å; T218-D346 VanDerWaalsContact CB-O 3.31Å; T218-D346 WeakPolarHBondContact CB-O 3.03Å; T218-D346 WeakPolarHBondContact CG2-O 3.38Å; T218-F348 PolarHBondContact O-N 3.22Å
219G98.6Very high98.3Very high10 Ų1047.2 Ų47.210%0.10325%0.248CC..SBendtrans-79.5170.6179.600000113.7E221 G222 F348G219-E221 WeakPolarHBondContact CA-OE1 3.44Å; G219-E221 VanDerWaalsContact CA-OE2 3.31Å; G219-E221 WeakPolarHBondContact CA-OE2 3.39Å; G219-E221 PolarHBondContact N-OE1 2.89Å; G219-E221 PolarHBondContact O-N 3.5Å; G219-E221 VanDerWaalsContact O-N 3.07Å; G219-G222 PolarHBondContact O-N 3.3Å; G219-F348 WeakPolarHBondContact O-CB 3.25Å
220P98.7Very high98.3Very high3 Ų351.7 Ų51.72%0.01927%0.269CS..THydrogen-bonded Turntrans-58.1-22.2-176.5-2536.4000114.6G222 H223 Y290 A298 A299 V302 I351P220-G222 PolarHBondContact O-N 3.07Å; P220-H223 VanDerWaalsContact O-CB 3.23Å; P220-H223 WeakPolarHBondContact O-CB 3.3Å; P220-H223 PolarHBondContact O-N 3Å; P220-H223 VanDerWaalsContact O-N 3.08Å; P220-Y290 HydrophobicContact CB-CD1 4.47Å; P220-A298 HydrophobicContact CB-CB 3.9Å; P220-A298 HydrophobicContact CG-CB 3.79Å; P220-A299 HydrophobicContact CG-CB 4.1Å; P220-V302 HydrophobicContact CB-CG2 3.9Å; P220-I351 HydrophobicContact CB-CD1 4.3Å; P220-I351 HydrophobicContact CG-CD1 3.95Å
221E98.6Very high98.3Very high53 Ų5348.2 Ų48.225%0.24825%0.254CS..Hα-helixtrans-61-28.6170.671.6-68.6165.500113.2I217 G219 H223 V224 L225 W291I217-E221 HydrophobicContact CG2-CG 4.22Å; G219-E221 WeakPolarHBondContact CA-OE1 3.44Å; G219-E221 VanDerWaalsContact CA-OE2 3.31Å; G219-E221 WeakPolarHBondContact CA-OE2 3.39Å; G219-E221 PolarHBondContact N-OE1 2.89Å; G219-E221 PolarHBondContact O-N 3.5Å; G219-E221 VanDerWaalsContact O-N 3.07Å; E221-H223 PolarHBondContact O-N 2.68Å; E221-V224 VanDerWaalsContact O-CG1 3.31Å; E221-V224 WeakPolarHBondContact O-CG1 3.49Å; E221-L225 WeakPolarHBondContact O-CB 3.42Å; E221-L225 WeakPolarHBondContact O-CD1 3.21Å; E221-L225 WeakPolarHBondContact O-CG 3.27Å; E221-L225 PolarHBondContact O-N 2.85Å; E221-L225 VanDerWaalsContact O-N 3.11Å; E221-W291 HydrophobicContact CB-CD2 4.46Å
222G98.6Very high98.3Very high0 Ų043.4 Ų43.40%024%0.237CC..Hα-helixtrans-63.1-26.9172.200000113.3L212 G219 P220 S226 F348L212-G222 WeakPolarHBondContact CD1-O 3.5Å; G219-G222 PolarHBondContact O-N 3.3Å; P220-G222 PolarHBondContact O-N 3.07Å; G222-S226 PolarHBondContact O-N 3.14Å; G222-S226 VanDerWaalsContact O-N 3.08Å; G222-S226 PolarHBondContact O-OG 2.65Å; G222-F348 VanDerWaalsContact C-CE2 3.42Å; G222-F348 VanDerWaalsContact O-CE2 3.32Å; G222-F348 WeakPolarHBondContact O-CE2 3.22Å; G222-F348 WeakPolarHBondContact O-CZ 3.35Å
223H98.5Very high98.3Very high2 Ų244.2 Ų44.21%0.00924%0.244CC..Hα-helixtrans-67.1-55.6177.6-170.279.9000111.3P220 E221 L225 S226 H227 V302 T303 S304 F348 E353P220-H223 VanDerWaalsContact O-CB 3.23Å; P220-H223 WeakPolarHBondContact O-CB 3.3Å; P220-H223 PolarHBondContact O-N 3Å; P220-H223 VanDerWaalsContact O-N 3.08Å; E221-H223 PolarHBondContact O-N 2.68Å; H223-L225 VanDerWaalsContact C-N 3.28Å; H223-L225 PolarHBondContact O-N 3.28Å; H223-S226 PolarHBondContact O-N 3.33Å; H223-S226 PolarHBondContact O-OG 2.98Å; H223-H227 AromaticContact CE1-NE2 3.7Å; H223-H227 PolarHBondContact O-CD2 3.21Å; H223-H227 PolarHBondContact O-N 2.96Å; H223-V302 HydrophobicContact CB-CG1 4.45Å; H223-V302 HydrophobicContact CB-CG2 4.41Å; H223-T303 PolarHBondContact CD2-O 3.19Å; H223-T303 PolarHBondContact NE2-O 3.46Å; H223-S304 PolarHBondContact CE1-OG 2.99Å; H223-S304 PolarHBondContact NE2-OG 3.19Å; H223-S304 VanDerWaalsContact NE2-OG 3.09Å; H223-F348 VanDerWaalsContact CA-CD2 3.5Å; H223-F348 HydrophobicContact CB-CD2 3.83Å; H223-F348 HydrophobicContact CB-CE2 4.46Å; H223-F348 VanDerWaalsContact N-CD2 3.35Å; H223-E353 IonicContact CE1-OE1 2.62Å
224V97.9Very high98.3Very high9 Ų944.9 Ų44.96%0.05525%0.246CC..Hα-helixtrans-65.5-32178.461.50000112.3E221 H227 Y290 W291 P306 P309E221-V224 VanDerWaalsContact O-CG1 3.31Å; E221-V224 WeakPolarHBondContact O-CG1 3.49Å; V224-H227 CarbonylContact O-C 3.51Å; V224-H227 PolarHBondContact O-N 3.16Å; V224-Y290 HydrophobicContact CB-CD2 3.54Å; V224-Y290 HydrophobicContact CB-CE2 3.68Å; V224-Y290 HydrophobicContact CB-CG 4.19Å; V224-Y290 HydrophobicContact CG1-CD2 3.49Å; V224-Y290 VanDerWaalsContact CG1-CD2 3.49Å; V224-Y290 HydrophobicContact CG1-CE2 4.18Å; V224-Y290 HydrophobicContact CG1-CG 3.82Å; V224-Y290 HydrophobicContact CG2-CD2 3.95Å; V224-Y290 HydrophobicContact CG2-CE2 3.96Å; V224-W291 HydrophobicContact CG1-CH2 3.57Å; V224-W291 HydrophobicContact CG1-CZ2 4.18Å; V224-W291 HydrophobicContact CG1-CZ3 4Å; V224-P306 HydrophobicContact CB-CB 4.04Å; V224-P306 HydrophobicContact CB-CG 4.48Å; V224-P306 HydrophobicContact CG2-CB 3.95Å; V224-P306 HydrophobicContact CG2-CG 4.1Å; V224-P309 HydrophobicContact CG2-CG 4.21Å
225L98.4Very high98.3Very high75 Ų7536.8 Ų36.839%0.39321%0.208SC..Hα-helixtrans-72.2-24177.5-72.3171.9000113.9L212 E221 H223 W291L212-L225 HydrophobicContact CD1-CB 3.6Å; L212-L225 HydrophobicContact CD2-CB 4.41Å; E221-L225 WeakPolarHBondContact O-CB 3.42Å; E221-L225 WeakPolarHBondContact O-CD1 3.21Å; E221-L225 WeakPolarHBondContact O-CG 3.27Å; E221-L225 PolarHBondContact O-N 2.85Å; E221-L225 VanDerWaalsContact O-N 3.11Å; H223-L225 VanDerWaalsContact C-N 3.28Å; H223-L225 PolarHBondContact O-N 3.28Å; L225-W291 HydrophobicContact CD2-CZ2 4.38Å; L225-W291 HydrophobicContact CG-CZ2 4.4Å
226S98.3Very high98.3Very high0 Ų031.5 Ų31.50%018%0.18CC..Hα-helixtrans-90.9-6.5175.141.50000113.8Q209 G222 H223 P228 F348Q209-S226 WeakPolarHBondContact CG-OG 3.4Å; G222-S226 PolarHBondContact O-N 3.14Å; G222-S226 VanDerWaalsContact O-N 3.08Å; G222-S226 PolarHBondContact O-OG 2.65Å; H223-S226 PolarHBondContact O-N 3.33Å; H223-S226 PolarHBondContact O-OG 2.98Å; S226-P228 WeakPolarHBondContact O-CD 3.36Å; S226-F348 WeakPolarHBondContact OG-CE2 3.42Å
227H98Very high98.4Very high7 Ų735.2 Ų35.23%0.03218%0.179CC..SBendtrans-123.658.9177.4-66.2-122.7000111E200 V205 Q209 H223 V224 P306E200-H227 IonicContact OE1-CE1 3.77Å; E200-H227 IonicContact OE1-CG 2.81Å; E200-H227 IonicContact OE1-ND1 3.89Å; E200-H227 PolarHBondContact OE1-ND1 3.13Å; E200-H227 IonicContact OE2-ND1 3.79Å; V205-H227 VanDerWaalsContact CG1-CE1 3.44Å; V205-H227 WeakPolarHBondContact CG1-CE1 3.41Å; V205-H227 VanDerWaalsContact CG1-NE2 3.35Å; V205-H227 WeakPolarHBondContact CG1-NE2 3.45Å; Q209-H227 PolarHBondContact NE2-NE2 3.05Å; H223-H227 AromaticContact CE1-NE2 3.7Å; H223-H227 PolarHBondContact O-CD2 3.21Å; H223-H227 PolarHBondContact O-N 2.96Å; V224-H227 CarbonylContact O-C 3.51Å; V224-H227 PolarHBondContact O-N 3.16Å; H227-P306 HydrophobicContact CB-CG 3.71Å; H227-P306 WeakPolarHBondContact O-CG 3.41Å
228P95.9Very high98.4Very high48 Ų4835.1 Ų35.131%0.31218%0.175SC..  trans-66.8148.218031.1-36.1000111.1S226 E230 V231S226-P228 WeakPolarHBondContact O-CD 3.36Å; P228-E230 PolarHBondContact O-N 2.86Å; P228-V231 HydrophobicContact CG-CG1 4.14Å; P228-V231 VanDerWaalsContact O-CG2 3.32Å; P228-V231 WeakPolarHBondContact O-CG2 3.37Å; P228-V231 PolarHBondContact O-N 2.87Å
229E97.1Very high98.4Very high66 Ų6632.5 Ų32.531%0.30816%0.159SC..Hα-helixtrans-58.7-23-166.761.1165.7-149.400115.4V231 E232 A233 S257 N308E229-V231 VanDerWaalsContact C-N 3.25Å; E229-V231 PolarHBondContact O-N 3.1Å; E229-E232 PolarHBondContact O-N 2.86Å; E229-A233 PolarHBondContact O-N 3.35Å; E229-S257 VanDerWaalsContact CB-CB 3.48Å; E229-S257 WeakPolarHBondContact OE2-CB 3.35Å; E229-N308 PolarHBondContact OE2-ND2 2.69Å
230E98.4Very high98.4Very high129 Ų12932.2 Ų32.260%0.60316%0.155SC*.Hα-helixtrans-60.8-29.9174.1-62.488.4162.400113.1P228 A233 E234P228-E230 PolarHBondContact O-N 2.86Å; E230-A233 PolarHBondContact O-N 3.49Å; E230-E234 WeakPolarHBondContact O-CB 3.42Å; E230-E234 PolarHBondContact O-N 2.88Å
231V98.4Very high98.4Very high6 Ų634.7 Ų34.74%0.03617%0.17CC..Hα-helixtrans-74.1-28.3176.9-52.30000112.6E200 N201 I204 V205 P228 E229 A235E200-V231 WeakPolarHBondContact CA-O 3.49Å; E200-V231 HydrophobicContact CB-CG2 4.29Å; N201-V231 HydrophobicContact CB-CB 3.99Å; N201-V231 HydrophobicContact CB-CG1 4.49Å; N201-V231 PolarHBondContact N-O 3.29Å; I204-V231 HydrophobicContact CB-CG1 4.02Å; I204-V231 HydrophobicContact CD1-CG1 4.42Å; I204-V231 HydrophobicContact CG2-CG1 3.63Å; V205-V231 HydrophobicContact CG2-CG2 3.87Å; P228-V231 HydrophobicContact CG-CG1 4.14Å; P228-V231 VanDerWaalsContact O-CG2 3.32Å; P228-V231 WeakPolarHBondContact O-CG2 3.37Å; P228-V231 PolarHBondContact O-N 2.87Å; E229-V231 VanDerWaalsContact C-N 3.25Å; E229-V231 PolarHBondContact O-N 3.1Å; V231-A235 WeakPolarHBondContact O-CB 3.1Å; V231-A235 PolarHBondContact O-N 3.19Å
232E98.8Very high98.4Very high6 Ų633 Ų333%0.02816%0.163CC..Hα-helixtrans-72.5-48.8170.6-166.9-161.9167.500109.7A199 E229 E234 A235 V236 V255 M256 S257 A260 P305A199-E232 WeakPolarHBondContact O-CA 3.31Å; A199-E232 WeakPolarHBondContact O-CG 3.49Å; E229-E232 PolarHBondContact O-N 2.86Å; E232-E234 PolarHBondContact O-N 3.21Å; E232-A235 PolarHBondContact O-N 3.32Å; E232-V236 WeakPolarHBondContact O-CB 3.39Å; E232-V236 WeakPolarHBondContact O-CG2 3.25Å; E232-V236 PolarHBondContact O-N 2.57Å; E232-V255 WeakPolarHBondContact OE1-CA 3.32Å; E232-M256 PolarHBondContact OE1-N 3.28Å; E232-S257 WeakPolarHBondContact OE2-CB 3.47Å; E232-S257 PolarHBondContact OE2-N 2.85Å; E232-S257 PolarHBondContact OE2-OG 3.46Å; E232-A260 HydrophobicContact CB-CB 4.47Å; E232-A260 HydrophobicContact CG-CB 3.78Å; E232-A260 WeakPolarHBondContact OE1-CB 3.49Å; E232-P305 HydrophobicContact CG-CB 4.39Å; E232-P305 HydrophobicContact CG-CG 4.08Å
233A98.8Very high98.4Very high22 Ų2233 Ų3318%0.18216%0.163CC..Hα-helixtrans-61.7-41.5-177.800000113.3E229 E230 Y237E229-A233 PolarHBondContact O-N 3.35Å; E230-A233 PolarHBondContact O-N 3.49Å; A233-Y237 WeakPolarHBondContact O-CB 3.37Å; A233-Y237 PolarHBondContact O-N 2.98Å
234E98.8Very high98.3Very high67 Ų6738.5 Ų38.531%0.31319%0.187SC..Hα-helixtrans-61-52.7174.1-173.5-75.8126.600111N201 E230 E232 V236 Y237 R238N201-E234 PolarHBondContact ND2-OE2 3.49Å; E230-E234 WeakPolarHBondContact O-CB 3.42Å; E230-E234 PolarHBondContact O-N 2.88Å; E232-E234 PolarHBondContact O-N 3.21Å; E234-V236 VanDerWaalsContact C-N 3.33Å; E234-V236 PolarHBondContact O-N 3.04Å; E234-Y237 WeakPolarHBondContact O-CB 3.5Å; E234-Y237 PolarHBondContact O-N 2.94Å; E234-Y237 VanDerWaalsContact O-N 3.11Å; E234-R238 WeakPolarHBondContact O-CB 3.44Å; E234-R238 PolarHBondContact O-N 3Å; E234-R238 WeakPolarHBondContact OE1-CB 3.43Å; E234-R238 IonicContact OE1-CZ 3.09Å; E234-R238 IonicContact OE1-NE 3.76Å; E234-R238 PolarHBondContact OE1-NE 2.85Å; E234-R238 IonicContact OE1-NH2 2.65Å; E234-R238 IonicContact OE2-CZ 2.82Å; E234-R238 IonicContact OE2-NE 3.78Å; E234-R238 PolarHBondContact OE2-NE 3.27Å; E234-R238 IonicContact OE2-NH2 3.65Å; E234-R238 PolarHBondContact OE2-NH2 3.2Å
235A98.8Very high98.2Very high0 Ų044.5 Ų44.50%021%0.214CC..Hα-helixtrans-62-40.3-177.600000111.8M168 A199 E200 V231 E232 R238 A239M168-A235 HydrophobicContact CB-CB 4.48Å; M168-A235 HydrophobicContact CE-CB 3.83Å; M168-A235 WeakPolarHBondContact CE-O 3.48Å; M168-A235 HydrophobicContact SD-CB 3.92Å; M168-A235 VanDerWaalsContact SD-O 3.38Å; A199-A235 VanDerWaalsContact C-CB 3.4Å; A199-A235 HydrophobicContact CB-CB 4Å; E200-A235 VanDerWaalsContact C-CB 3.49Å; V231-A235 WeakPolarHBondContact O-CB 3.1Å; V231-A235 PolarHBondContact O-N 3.19Å; E232-A235 PolarHBondContact O-N 3.32Å; A235-R238 PolarHBondContact O-N 3.03Å; A235-A239 VanDerWaalsContact O-CB 3.3Å; A235-A239 WeakPolarHBondContact O-CB 3.1Å; A235-A239 PolarHBondContact O-N 3.25Å
236V98.9Very high98.1Very high0 Ų041 Ų410%020%0.196CC..Hα-helixtrans-61.6-44.7173.4168.50000111.6A199 E232 E234 R238 A239 V240 I252 A260 A263 I264A199-V236 HydrophobicContact CB-CG2 3.57Å; E232-V236 WeakPolarHBondContact O-CB 3.39Å; E232-V236 WeakPolarHBondContact O-CG2 3.25Å; E232-V236 PolarHBondContact O-N 2.57Å; E234-V236 VanDerWaalsContact C-N 3.33Å; E234-V236 PolarHBondContact O-N 3.04Å; V236-R238 PolarHBondContact O-N 3.11Å; V236-A239 PolarHBondContact O-N 2.86Å; V236-V240 WeakPolarHBondContact O-CB 3.5Å; V236-V240 VanDerWaalsContact O-CG2 3.28Å; V236-V240 WeakPolarHBondContact O-CG2 3.17Å; V236-V240 PolarHBondContact O-N 2.84Å; V236-I252 HydrophobicContact CG1-CD1 4.42Å; V236-I252 HydrophobicContact CG1-CG1 4.23Å; V236-I252 HydrophobicContact CG2-CD1 4.41Å; V236-I252 HydrophobicContact CG2-CG1 4.48Å; V236-I252 HydrophobicContact CG2-CG2 3.75Å; V236-A260 HydrophobicContact CG2-CB 4Å; V236-A263 HydrophobicContact CG1-CB 3.9Å; V236-I264 HydrophobicContact CG1-CD1 4.39Å; V236-I264 HydrophobicContact CG1-CG1 3.81Å
237Y98.8Very high98Very high132 Ų13242.6 Ų42.652%0.51820%0.204SC..Hα-helixtrans-62.6-41.2176.9-179.8-91.1000112.4A233 E234 T241A233-Y237 WeakPolarHBondContact O-CB 3.37Å; A233-Y237 PolarHBondContact O-N 2.98Å; E234-Y237 WeakPolarHBondContact O-CB 3.5Å; E234-Y237 PolarHBondContact O-N 2.94Å; E234-Y237 VanDerWaalsContact O-N 3.11Å; Y237-T241 WeakPolarHBondContact O-CB 3.31Å; Y237-T241 PolarHBondContact O-N 2.58Å; Y237-T241 PolarHBondContact O-OG1 3.11Å
238R98.8Very high98Very high47 Ų4742.5 Ų42.518%0.17720%0.204CC..Hα-helixtrans-68.4-45.8176.7177.2156.950.399.9-0.8112.1M168 D178 N201 E234 A235 V236 V240 T241 I242M168-R238 HydrophobicContact CE-CB 4.1Å; M168-R238 HydrophobicContact CE-CG 4.01Å; D178-R238 WeakPolarHBondContact OD1-CD 3.31Å; D178-R238 IonicContact OD1-CZ 2.65Å; D178-R238 IonicContact OD1-NH1 3.89Å; D178-R238 PolarHBondContact OD1-NH1 2.86Å; D178-R238 WeakPolarHBondContact OD2-CD 3.37Å; N201-R238 PolarHBondContact ND2-NH2 3.26Å; E234-R238 WeakPolarHBondContact O-CB 3.44Å; E234-R238 PolarHBondContact O-N 3Å; E234-R238 WeakPolarHBondContact OE1-CB 3.43Å; E234-R238 IonicContact OE1-CZ 3.09Å; E234-R238 IonicContact OE1-NE 3.76Å; E234-R238 PolarHBondContact OE1-NE 2.85Å; E234-R238 IonicContact OE1-NH2 2.65Å; E234-R238 IonicContact OE2-CZ 2.82Å; E234-R238 IonicContact OE2-NE 3.78Å; E234-R238 PolarHBondContact OE2-NE 3.27Å; E234-R238 IonicContact OE2-NH2 3.65Å; E234-R238 PolarHBondContact OE2-NH2 3.2Å; A235-R238 PolarHBondContact O-N 3.03Å; V236-R238 PolarHBondContact O-N 3.11Å; R238-V240 PolarHBondContact O-N 2.88Å; R238-T241 WeakPolarHBondContact O-CA 3.27Å; R238-T241 WeakPolarHBondContact O-CB 3.07Å; R238-T241 PolarHBondContact O-N 2.81Å; R238-I242 HydrophobicContact CG-CD1 3.88Å; R238-I242 WeakPolarHBondContact O-CG1 3.27Å; R238-I242 PolarHBondContact O-N 3.35Å
239A98.9Very high98.1Very high0 Ų040.2 Ų40.20%019%0.19CC..Hα-helixtrans-56.9-46.8173.600000112.2M168 M181 V197 A235 V236 T241 I242 A243 L250 I252M168-A239 HydrophobicContact SD-CB 3.82Å; M181-A239 HydrophobicContact CE-CB 4.25Å; V197-A239 HydrophobicContact CG1-CB 4.22Å; V197-A239 HydrophobicContact CG2-CB 4.33Å; A235-A239 VanDerWaalsContact O-CB 3.3Å; A235-A239 WeakPolarHBondContact O-CB 3.1Å; A235-A239 PolarHBondContact O-N 3.25Å; V236-A239 PolarHBondContact O-N 2.86Å; A239-T241 VanDerWaalsContact C-N 3.26Å; A239-T241 PolarHBondContact O-N 2.71Å; A239-I242 PolarHBondContact O-N 3.39Å; A239-A243 VanDerWaalsContact O-CB 3.29Å; A239-A243 WeakPolarHBondContact O-CB 3.07Å; A239-A243 PolarHBondContact O-N 3.03Å; A239-L250 HydrophobicContact CB-CD2 4.21Å; A239-I252 HydrophobicContact CB-CD1 4.31Å
240V98.8Very high98.2Very high4 Ų437 Ų372%0.02418%0.175CC..Hα-helixtrans-56.1-41.5173.2159.90000111.6V236 R238 K244 L250 A267 V272 V274V236-V240 WeakPolarHBondContact O-CB 3.5Å; V236-V240 VanDerWaalsContact O-CG2 3.28Å; V236-V240 WeakPolarHBondContact O-CG2 3.17Å; V236-V240 PolarHBondContact O-N 2.84Å; R238-V240 PolarHBondContact O-N 2.88Å; V240-K244 VanDerWaalsContact O-CB 3.26Å; V240-K244 WeakPolarHBondContact O-CB 3.26Å; V240-K244 PolarHBondContact O-N 3.22Å; V240-L250 HydrophobicContact CB-CD2 4.33Å; V240-L250 HydrophobicContact CG2-CD2 3.8Å; V240-A267 HydrophobicContact CB-CB 4.49Å; V240-A267 HydrophobicContact CG1-CB 3.57Å; V240-A267 HydrophobicContact CG2-CB 4.06Å; V240-V272 HydrophobicContact CG1-CG1 4.46Å; V240-V272 HydrophobicContact CG1-CG2 4.44Å; V240-V274 HydrophobicContact CG2-CG2 4.16Å
241T98.7Very high98.2Very high55 Ų5530.9 Ų30.934%0.33715%0.146SC..Hα-helixtrans-67.9-48.4-179.6-61.40000111.2Y237 R238 A239 K244 Q245Y237-T241 WeakPolarHBondContact O-CB 3.31Å; Y237-T241 PolarHBondContact O-N 2.58Å; Y237-T241 PolarHBondContact O-OG1 3.11Å; R238-T241 WeakPolarHBondContact O-CA 3.27Å; R238-T241 WeakPolarHBondContact O-CB 3.07Å; R238-T241 PolarHBondContact O-N 2.81Å; A239-T241 VanDerWaalsContact C-N 3.26Å; A239-T241 PolarHBondContact O-N 2.71Å; T241-K244 PolarHBondContact O-N 2.72Å; T241-Q245 WeakPolarHBondContact O-CG 3.4Å; T241-Q245 PolarHBondContact O-N 2.75Å
242I98.8Very high98.2Very high17 Ų1730.7 Ų30.79%0.08715%0.145CC..Hα-helixtrans-62.2-48.1178.7-61.7164.1000110.6D178 M181 Y182 F185 R238 A239 K244 Q245 A246D178-I242 HydrophobicContact CB-CD1 3.91Å; M181-I242 HydrophobicContact CB-CD1 4.31Å; M181-I242 HydrophobicContact CB-CG2 4.13Å; M181-I242 HydrophobicContact CE-CD1 4.37Å; M181-I242 HydrophobicContact SD-CD1 4.1Å; Y182-I242 HydrophobicContact CD2-CG2 4.36Å; F185-I242 HydrophobicContact CD2-CB 4.44Å; F185-I242 HydrophobicContact CD2-CG2 3.82Å; F185-I242 HydrophobicContact CE2-CB 4.28Å; F185-I242 HydrophobicContact CE2-CG2 4.01Å; R238-I242 HydrophobicContact CG-CD1 3.88Å; R238-I242 WeakPolarHBondContact O-CG1 3.27Å; R238-I242 PolarHBondContact O-N 3.35Å; A239-I242 PolarHBondContact O-N 3.39Å; I242-K244 VanDerWaalsContact C-N 3.3Å; I242-K244 PolarHBondContact O-N 2.86Å; I242-Q245 PolarHBondContact O-N 3.47Å; I242-Q245 VanDerWaalsContact O-N 3.15Å; I242-A246 PolarHBondContact O-N 3.34Å
243A98.4Very high98.2Very high0 Ų030.5 Ų30.50%014%0.144CC..Hα-helixtrans-62.3-35.8178.300000112.7F185 A239 A246 N247 C248 L250F185-A243 HydrophobicContact CD2-CB 3.87Å; F185-A243 HydrophobicContact CE2-CB 3.9Å; A239-A243 VanDerWaalsContact O-CB 3.29Å; A239-A243 WeakPolarHBondContact O-CB 3.07Å; A239-A243 PolarHBondContact O-N 3.03Å; A243-A246 CarbonylContact O-C 3.58Å; A243-A246 PolarHBondContact O-N 2.92Å; A243-N247 WeakPolarHBondContact O-CA 3.4Å; A243-N247 PolarHBondContact O-N 3.31Å; A243-C248 PolarHBondContact O-N 3.39Å; A243-L250 HydrophobicContact CB-CB 3.85Å; A243-L250 HydrophobicContact CB-CD1 4.14Å; A243-L250 HydrophobicContact CB-CD2 3.88Å; A243-L250 HydrophobicContact CB-CG 4.19Å
244K96.5Very high98.1Very high119 Ų11930 Ų3052%0.51714%0.138SC..Hα-helixtrans-64.6-43.3173.5-173.7-172.4177.8-171.40111.8V240 T241 I242 N247 V272V240-K244 VanDerWaalsContact O-CB 3.26Å; V240-K244 WeakPolarHBondContact O-CB 3.26Å; V240-K244 PolarHBondContact O-N 3.22Å; T241-K244 PolarHBondContact O-N 2.72Å; I242-K244 VanDerWaalsContact C-N 3.3Å; I242-K244 PolarHBondContact O-N 2.86Å; K244-N247 PolarHBondContact O-N 2.55Å; K244-N247 VanDerWaalsContact O-N 3.14Å; K244-V272 HydrophobicContact CD-CG2 4.11Å; K244-V272 HydrophobicContact CG-CG2 4.39Å
245Q95.9Very high98.1Very high135 Ų13526.8 Ų26.863%0.63112%0.123SC*.Hα-helixtrans-66-40.7176.7-63-58.9-17.200111.6Y182 T241 I242 N247Y182-Q245 HydrophobicContact CD2-CB 4.36Å; Y182-Q245 HydrophobicContact CE2-CB 3.92Å; T241-Q245 WeakPolarHBondContact O-CG 3.4Å; T241-Q245 PolarHBondContact O-N 2.75Å; I242-Q245 PolarHBondContact O-N 3.47Å; I242-Q245 VanDerWaalsContact O-N 3.15Å; Q245-N247 PolarHBondContact O-N 3.47Å
246A96.1Very high98.1Very high1 Ų127 Ų271%0.00812%0.124CC..THydrogen-bonded Turntrans-72.5-5.3173.300000113.5Y182 F185 R189 I242 A243 C248Y182-A246 HydrophobicContact CD2-CB 4.09Å; Y182-A246 HydrophobicContact CE2-CB 4.08Å; F185-A246 HydrophobicContact CB-CB 3.8Å; R189-A246 VanDerWaalsContact CD-O 3.31Å; R189-A246 WeakPolarHBondContact CD-O 3.24Å; R189-A246 PolarHBondContact NH1-O 3.23Å; I242-A246 PolarHBondContact O-N 3.34Å; A243-A246 CarbonylContact O-C 3.58Å; A243-A246 PolarHBondContact O-N 2.92Å; A246-C248 HydrophobicContact CB-CB 4.26Å; A246-C248 PolarHBondContact O-N 3.08Å; A246-C248 VanDerWaalsContact O-N 3.12Å
247N95.8Very high98.1Very high33 Ų3327 Ų2718%0.17612%0.124CC..THydrogen-bonded Turntrans42.738.8-167.2-164.336.4000113.8R189 A243 K244 Q245 N486R189-N247 WeakPolarHBondContact CD-O 3.45Å; A243-N247 WeakPolarHBondContact O-CA 3.4Å; A243-N247 PolarHBondContact O-N 3.31Å; K244-N247 PolarHBondContact O-N 2.55Å; K244-N247 VanDerWaalsContact O-N 3.14Å; Q245-N247 PolarHBondContact O-N 3.47Å; N247-N486 PolarHBondContact ND2-OD1 3.32Å
248C98Very high98.1Very high5 Ų522.7 Ų22.73%0.03411%0.108CC..  trans-94138.7177.3-174.40000109.7F185 R189 A243 A246F185-C248 HydrophobicContact CB-CB 3.8Å; F185-C248 HydrophobicContact CG-CB 4.45Å; F185-C248 WeakPolarHBondContact O-CB 3.19Å; F185-C248 PolarHBondContact O-SG 3.36Å; R189-C248 HydrophobicContact CB-CB 4.16Å; A243-C248 PolarHBondContact O-N 3.39Å; A246-C248 HydrophobicContact CB-CB 4.26Å; A246-C248 PolarHBondContact O-N 3.08Å; A246-C248 VanDerWaalsContact O-N 3.12Å
249P98.4Very high98.1Very high0 Ų021.6 Ų21.60%011%0.111CC..  trans-66.9135.4167.629.9-34.5000110.3L194 A195 V273 V478 Y479L194-P249 HydrophobicContact CD1-CB 3.86Å; L194-P249 HydrophobicContact CD1-CG 4.15Å; A195-P249 PolarHBondContact N-O 3.1Å; P249-V273 HydrophobicContact CB-CG1 3.86Å; P249-V478 HydrophobicContact CB-CG1 3.24Å; P249-V478 HydrophobicContact CG-CG1 3.56Å; P249-Y479 HydrophobicContact CG-CE1 4.5Å; P249-Y479 HydrophobicContact CG-CE2 3.76Å
250L98.8Very high98.1Very high0 Ų021.6 Ų21.60%011%0.111CC..EExtended strand (participates in β ladder)trans-115.6145.4-173.8-176.163.7000111.7F185 A195 V197 A239 V240 A243 I252 V273 V274 F275F185-L250 HydrophobicContact CE2-CD1 4.39Å; F185-L250 HydrophobicContact CZ-CD1 4.14Å; A195-L250 CarbonylContact O-C 3.09Å; V197-L250 HydrophobicContact CB-CD1 4.46Å; V197-L250 HydrophobicContact CG2-CD1 3.47Å; V197-L250 VanDerWaalsContact CG2-CD1 3.47Å; A239-L250 HydrophobicContact CB-CD2 4.21Å; V240-L250 HydrophobicContact CB-CD2 4.33Å; V240-L250 HydrophobicContact CG2-CD2 3.8Å; A243-L250 HydrophobicContact CB-CB 3.85Å; A243-L250 HydrophobicContact CB-CD1 4.14Å; A243-L250 HydrophobicContact CB-CD2 3.88Å; A243-L250 HydrophobicContact CB-CG 4.19Å; L250-I252 HydrophobicContact CD1-CD1 4.37Å; L250-I252 HydrophobicContact CD2-CD1 3.86Å; L250-I252 HydrophobicContact CG-CD1 4.01Å; L250-V273 PolarHBondContact N-O 3.3Å; L250-V274 HydrophobicContact CB-CB 4.35Å; L250-V274 HydrophobicContact CB-CG2 4.16Å; L250-V274 HydrophobicContact CD2-CG2 4.01Å; L250-V274 HydrophobicContact CG-CG2 4.13Å; L250-V274 CarbonylContact O-C 3.47Å; L250-V274 VanDerWaalsContact O-CA 3.3Å; L250-V274 WeakPolarHBondContact O-CA 3.37Å; L250-F275 WeakPolarHBondContact O-CD2 3.43Å; L250-F275 PolarHBondContact O-N 3.36Å
251Y98.9Very high98.1Very high0 Ų021.4 Ų21.40%011%0.11CC..EExtended strand (participates in β ladder)trans-133.4115.8174.5-172.2-77.7000109.1V72 L194 A195 Q196 V197 T253 F275 E277 I391 F392V72-Y251 WeakPolarHBondContact CG2-OH 3.31Å; L194-Y251 HydrophobicContact CD2-CD2 3.87Å; L194-Y251 HydrophobicContact CD2-CG 4.15Å; A195-Y251 PolarHBondContact O-N 2.68Å; Q196-Y251 CarbonylContact C-O 3.57Å; Q196-Y251 VanDerWaalsContact CA-O 3.24Å; Q196-Y251 WeakPolarHBondContact CA-O 3.36Å; Q196-Y251 HydrophobicContact CG-CD1 3.86Å; Q196-Y251 HydrophobicContact CG-CG 4.16Å; V197-Y251 PolarHBondContact N-O 3.17Å; Y251-T253 HydrophobicContact CD1-CG2 3.88Å; Y251-T253 HydrophobicContact CE1-CG2 3.98Å; Y251-F275 HydrophobicContact CD2-CB 3.64Å; Y251-F275 HydrophobicContact CD2-CD2 4.46Å; Y251-F275 HydrophobicContact CD2-CG 4.34Å; Y251-F275 HydrophobicContact CE2-CB 4.2Å; Y251-F275 HydrophobicContact CG-CB 4.35Å; Y251-E277 HydrophobicContact CE1-CB 3.67Å; Y251-E277 HydrophobicContact CE1-CG 4.22Å; Y251-E277 WeakPolarHBondContact OH-CB 3.26Å; Y251-E277 WeakPolarHBondContact OH-CG 3.35Å; Y251-I391 HydrophobicContact CD2-CG2 4.24Å; Y251-I391 HydrophobicContact CE2-CD1 4.42Å; Y251-I391 HydrophobicContact CE2-CG2 4.31Å; Y251-F392 HydrophobicContact CD2-CZ 4.24Å; Y251-F392 HydrophobicContact CE2-CE2 4.17Å; Y251-F392 AromaticContact CE2-CZ 3.85Å; Y251-F392 HydrophobicContact CE2-CZ 3.85Å
252I98.9Very high98.1Very high1 Ų121.5 Ų21.51%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-87.9117.1175.7-54.4-57.1000108.3V197 V236 A239 L250 V255 I264 V274 F275 E277V197-I252 HydrophobicContact CB-CD1 4.35Å; V236-I252 HydrophobicContact CG1-CD1 4.42Å; V236-I252 HydrophobicContact CG1-CG1 4.23Å; V236-I252 HydrophobicContact CG2-CD1 4.41Å; V236-I252 HydrophobicContact CG2-CG1 4.48Å; V236-I252 HydrophobicContact CG2-CG2 3.75Å; A239-I252 HydrophobicContact CB-CD1 4.31Å; L250-I252 HydrophobicContact CD1-CD1 4.37Å; L250-I252 HydrophobicContact CD2-CD1 3.86Å; L250-I252 HydrophobicContact CG-CD1 4.01Å; I252-V255 HydrophobicContact CB-CG2 4.24Å; I252-V255 HydrophobicContact CG2-CG2 3.8Å; I252-I264 HydrophobicContact CB-CD1 3.81Å; I252-I264 HydrophobicContact CG1-CD1 3.88Å; I252-I264 HydrophobicContact CG1-CG1 4.03Å; I252-I264 HydrophobicContact CG2-CD1 4.1Å; I252-V274 HydrophobicContact CG1-CG2 4.18Å; I252-F275 PolarHBondContact N-O 3.22Å; I252-E277 WeakPolarHBondContact O-CB 3.48Å; I252-E277 PolarHBondContact O-N 2.87Å
253T98.3Very high98.1Very high2 Ų221.1 Ų21.11%0.01211%0.108CC..EExtended strand (participates in β ladder)trans-85151.2175.265.20000111L165 Q196 V197 Y251 E277L165-T253 HydrophobicContact CD1-CG2 3.96Å; Q196-T253 HydrophobicContact CB-CG2 3.98Å; Q196-T253 HydrophobicContact CG-CG2 4.29Å; V197-T253 PolarHBondContact O-N 3.11Å; V197-T253 PolarHBondContact O-OG1 3.06Å; Y251-T253 HydrophobicContact CD1-CG2 3.88Å; Y251-T253 HydrophobicContact CE1-CG2 3.98Å; T253-E277 WeakPolarHBondContact CA-OE2 3.23Å; T253-E277 WeakPolarHBondContact CB-OE2 3.37Å
254K97.9Very high98.1Very high12 Ų1221.1 Ų21.15%0.05211%0.108CC..EExtended strand (participates in β ladder)trans49.661.7174.1-58179.8-67.81770112.7H198 M256 E277 I279 S304 A332H198-K254 WeakPolarHBondContact ND1-CE 3.44Å; H198-K254 PolarHBondContact ND1-NZ 2.9Å; K254-M256 WeakPolarHBondContact O-CG 3.47Å; K254-M256 PolarHBondContact O-N 3.47Å; K254-E277 PolarHBondContact N-O 3.28Å; K254-I279 HydrophobicContact CG-CD1 4.41Å; K254-I279 HydrophobicContact CG-CG2 4.21Å; K254-S304 VanDerWaalsContact CE-O 3.32Å; K254-S304 WeakPolarHBondContact CE-O 3.48Å; K254-S304 PolarHBondContact NZ-O 3.43Å; K254-A332 HydrophobicContact CD-CB 3.82Å; K254-A332 HydrophobicContact CG-CB 3.82Å
255V98.8Very high98.2Very high0 Ų015.5 Ų15.50%08%0.083CC..EExtended strand (participates in β ladder)trans-73.4109.1172.9-177.90000108.5E232 I252 A260 A261 I264 E277 L317 L326E232-V255 WeakPolarHBondContact OE1-CA 3.32Å; I252-V255 HydrophobicContact CB-CG2 4.24Å; I252-V255 HydrophobicContact CG2-CG2 3.8Å; V255-A260 HydrophobicContact CG1-CB 4.22Å; V255-A261 HydrophobicContact CG1-CB 3.88Å; V255-I264 HydrophobicContact CG1-CD1 4.4Å; V255-I264 HydrophobicContact CG2-CD1 3.63Å; V255-E277 PolarHBondContact N-O 3.08Å; V255-L317 HydrophobicContact CG1-CD2 4.05Å; V255-L326 HydrophobicContact CG1-CD2 4.29Å; V255-L326 HydrophobicContact CG2-CD2 4.3Å
256M98.4Very high98.3Very high3 Ų313.5 Ų13.52%0.0157%0.074CC..  trans-109.5-22.2-172-58.4-58.7-69.800113.7E232 K254 I279 A281 P305 P306 V307 N308 T313E232-M256 PolarHBondContact OE1-N 3.28Å; K254-M256 WeakPolarHBondContact O-CG 3.47Å; K254-M256 PolarHBondContact O-N 3.47Å; M256-I279 HydrophobicContact CE-CD1 4.22Å; M256-I279 HydrophobicContact CE-CG1 4.45Å; M256-I279 HydrophobicContact SD-CD1 3.6Å; M256-I279 VanDerWaalsContact SD-CD1 3.6Å; M256-I279 HydrophobicContact SD-CG1 3.59Å; M256-I279 VanDerWaalsContact SD-CG1 3.59Å; M256-A281 HydrophobicContact CE-CB 4.4Å; M256-P305 HydrophobicContact CB-CB 4Å; M256-P305 HydrophobicContact CB-CG 4.45Å; M256-P305 HydrophobicContact CG-CB 3.69Å; M256-P305 HydrophobicContact CG-CG 3.85Å; M256-P306 WeakPolarHBondContact CB-O 3.47Å; M256-V307 HydrophobicContact CE-CB 4.34Å; M256-V307 HydrophobicContact CE-CG2 4.02Å; M256-N308 WeakPolarHBondContact O-CB 3.44Å; M256-T313 VanDerWaalsContact O-CG2 3.27Å; M256-T313 WeakPolarHBondContact O-CG2 3.36Å
257S98.5Very high98.4Very high0 Ų013.4 Ų13.40%07%0.073CC..SBendtrans-117.1163.1-176.565.10000115.1E229 E232 A260 A261E229-S257 VanDerWaalsContact CB-CB 3.48Å; E229-S257 WeakPolarHBondContact OE2-CB 3.35Å; E232-S257 WeakPolarHBondContact OE2-CB 3.47Å; E232-S257 PolarHBondContact OE2-N 2.85Å; E232-S257 PolarHBondContact OE2-OG 3.46Å; S257-A260 VanDerWaalsContact OG-CB 3.27Å; S257-A260 WeakPolarHBondContact OG-CB 3.4Å; S257-A260 PolarHBondContact OG-N 3.26Å; S257-A261 WeakPolarHBondContact O-CB 3.31Å; S257-A261 PolarHBondContact O-N 2.82Å
258K98.7Very high98.5Very high43 Ų4314.8 Ų14.819%0.1878%0.078CC..Hα-helixtrans-65.5-44.8173.4-58.4176.3-178.9168.70111.6A260 A261 D262 D310 T312 T313 H316K258-A260 PolarHBondContact O-N 3.27Å; K258-A261 PolarHBondContact O-N 2.78Å; K258-D262 WeakPolarHBondContact O-CB 3.36Å; K258-D262 PolarHBondContact O-N 2.93Å; K258-D310 IonicContact NZ-OD1 3.48Å; K258-D310 IonicContact NZ-OD2 2.69Å; K258-D310 PolarHBondContact NZ-OD2 2.65Å; K258-T312 PolarHBondContact NZ-OG1 2.69Å; K258-T313 WeakPolarHBondContact CE-OG1 3.33Å; K258-T313 HydrophobicContact CG-CG2 4.2Å; K258-H316 HydrophobicContact CD-CB 4.33Å; K258-H316 HydrophobicContact CG-CB 3.94Å
259G98.5Very high98.5Very high23 Ų2322.9 Ų22.924%0.23711%0.107CC..Hα-helixtrans-60-43.2-179.200000112.8A263G259-A263 WeakPolarHBondContact O-CB 3.44Å; G259-A263 PolarHBondContact O-N 3.09Å
260A98.8Very high98.4Very high0 Ų028.4 Ų28.40%013%0.128CC..Hα-helixtrans-63.1-46.9173.900000112.4E232 V236 V255 S257 K258 D262 A263 I264E232-A260 HydrophobicContact CB-CB 4.47Å; E232-A260 HydrophobicContact CG-CB 3.78Å; E232-A260 WeakPolarHBondContact OE1-CB 3.49Å; V236-A260 HydrophobicContact CG2-CB 4Å; V255-A260 HydrophobicContact CG1-CB 4.22Å; S257-A260 VanDerWaalsContact OG-CB 3.27Å; S257-A260 WeakPolarHBondContact OG-CB 3.4Å; S257-A260 PolarHBondContact OG-N 3.26Å; K258-A260 PolarHBondContact O-N 3.27Å; A260-D262 PolarHBondContact O-N 2.85Å; A260-A263 PolarHBondContact O-N 3.19Å; A260-I264 WeakPolarHBondContact O-CG1 3.34Å; A260-I264 PolarHBondContact O-N 3.2Å; A260-I264 VanDerWaalsContact O-N 3.1Å
261A98.8Very high98.2Very high0 Ų029.6 Ų29.60%014%0.141CC..Hα-helixtrans-63.5-40.7178.900000112.6V255 S257 K258 I264 A265 L317 L320 L326V255-A261 HydrophobicContact CG1-CB 3.88Å; S257-A261 WeakPolarHBondContact O-CB 3.31Å; S257-A261 PolarHBondContact O-N 2.82Å; K258-A261 PolarHBondContact O-N 2.78Å; A261-I264 WeakPolarHBondContact O-CB 3.4Å; A261-I264 PolarHBondContact O-N 2.88Å; A261-A265 WeakPolarHBondContact O-CB 3.39Å; A261-A265 PolarHBondContact O-N 3.4Å; A261-L317 HydrophobicContact CB-CD2 3.51Å; A261-L320 HydrophobicContact CB-CD2 3.56Å; A261-L326 HydrophobicContact CB-CD1 4.19Å; A261-L326 HydrophobicContact CB-CD2 4.45Å
262D98.8Very high98.1Very high58 Ų5830 Ų3031%0.3114%0.143SC..Hα-helixtrans-66.8-37.9175.7-77.8-5.6000112K258 A260 I264 A265 Q266 H316K258-D262 WeakPolarHBondContact O-CB 3.36Å; K258-D262 PolarHBondContact O-N 2.93Å; A260-D262 PolarHBondContact O-N 2.85Å; D262-I264 VanDerWaalsContact C-N 3.31Å; D262-I264 PolarHBondContact O-N 3.12Å; D262-A265 PolarHBondContact O-N 3.44Å; D262-Q266 WeakPolarHBondContact O-CB 3.38Å; D262-Q266 WeakPolarHBondContact O-CG 3.46Å; D262-Q266 PolarHBondContact O-N 2.84Å; D262-H316 IonicContact OD1-CE1 3.45Å; D262-H316 PolarHBondContact OD1-CE1 3.13Å; D262-H316 IonicContact OD1-NE2 3.91Å; D262-H316 PolarHBondContact OD1-NE2 3.07Å; D262-H316 IonicContact OD2-NE2 3.4Å
263A98.7Very high98Very high9 Ų930 Ų307%0.07414%0.143CC..Hα-helixtrans-61-40.3173.900000111.7V236 G259 A260 A267V236-A263 HydrophobicContact CG1-CB 3.9Å; G259-A263 WeakPolarHBondContact O-CB 3.44Å; G259-A263 PolarHBondContact O-N 3.09Å; A260-A263 PolarHBondContact O-N 3.19Å; A263-A267 VanDerWaalsContact O-CB 3.25Å; A263-A267 WeakPolarHBondContact O-CB 3.49Å; A263-A267 PolarHBondContact O-N 3.11Å
264I98.8Very high98Very high0 Ų030 Ų300%014%0.143CC..Hα-helixtrans-64.4-51173.5-64.9164.1000110.5V236 I252 V255 A260 A261 D262 Q266 A267 K268 V274 L326V236-I264 HydrophobicContact CG1-CD1 4.39Å; V236-I264 HydrophobicContact CG1-CG1 3.81Å; I252-I264 HydrophobicContact CB-CD1 3.81Å; I252-I264 HydrophobicContact CG1-CD1 3.88Å; I252-I264 HydrophobicContact CG1-CG1 4.03Å; I252-I264 HydrophobicContact CG2-CD1 4.1Å; V255-I264 HydrophobicContact CG1-CD1 4.4Å; V255-I264 HydrophobicContact CG2-CD1 3.63Å; A260-I264 WeakPolarHBondContact O-CG1 3.34Å; A260-I264 PolarHBondContact O-N 3.2Å; A260-I264 VanDerWaalsContact O-N 3.1Å; A261-I264 WeakPolarHBondContact O-CB 3.4Å; A261-I264 PolarHBondContact O-N 2.88Å; D262-I264 VanDerWaalsContact C-N 3.31Å; D262-I264 PolarHBondContact O-N 3.12Å; I264-Q266 PolarHBondContact O-N 2.75Å; I264-A267 WeakPolarHBondContact O-CB 3.5Å; I264-A267 PolarHBondContact O-N 3.33Å; I264-A267 VanDerWaalsContact O-N 3.08Å; I264-K268 HydrophobicContact CG2-CD 4.37Å; I264-K268 WeakPolarHBondContact O-CG 3.28Å; I264-K268 PolarHBondContact O-N 3.03Å; I264-V274 HydrophobicContact CG2-CG1 4.22Å; I264-V274 HydrophobicContact CG2-CG2 4.37Å; I264-L326 HydrophobicContact CD1-CD2 4.07Å; I264-L326 HydrophobicContact CG2-CD2 4.44Å
265A98.6Very high98.1Very high0 Ų029.8 Ų29.80%014%0.142CC..Hα-helixtrans-56.1-48178.900000112A261 D262 A267 K268 R269 L320 D325A261-A265 WeakPolarHBondContact O-CB 3.39Å; A261-A265 PolarHBondContact O-N 3.4Å; D262-A265 PolarHBondContact O-N 3.44Å; A265-A267 VanDerWaalsContact C-N 3.35Å; A265-A267 PolarHBondContact O-N 3.14Å; A265-K268 PolarHBondContact O-N 3.08Å; A265-R269 VanDerWaalsContact O-CG 3.28Å; A265-R269 WeakPolarHBondContact O-CG 3.36Å; A265-R269 PolarHBondContact O-N 3.46Å; A265-L320 HydrophobicContact CB-CD2 4.29Å; A265-D325 HydrophobicContact CB-CB 3.88Å; A265-D325 WeakPolarHBondContact CB-OD2 3.43Å
266Q98.6Very high98.1Very high93 Ų9329.8 Ų29.844%0.43514%0.142SC..Hα-helixtrans-62.7-39.7175.3-68.117629.800112.3D262 I264 R269 R270D262-Q266 WeakPolarHBondContact O-CB 3.38Å; D262-Q266 WeakPolarHBondContact O-CG 3.46Å; D262-Q266 PolarHBondContact O-N 2.84Å; I264-Q266 PolarHBondContact O-N 2.75Å; Q266-R269 PolarHBondContact O-N 2.87Å; Q266-R270 WeakPolarHBondContact O-CG 3.44Å; Q266-R270 PolarHBondContact O-N 2.95Å
267A98.3Very high98.1Very high0 Ų029.6 Ų29.60%014%0.141CC..Hα-helixtrans-63.3-41.2176.500000112V240 A263 I264 A265 R270 G271 V272 V274V240-A267 HydrophobicContact CB-CB 4.49Å; V240-A267 HydrophobicContact CG1-CB 3.57Å; V240-A267 HydrophobicContact CG2-CB 4.06Å; A263-A267 VanDerWaalsContact O-CB 3.25Å; A263-A267 WeakPolarHBondContact O-CB 3.49Å; A263-A267 PolarHBondContact O-N 3.11Å; I264-A267 WeakPolarHBondContact O-CB 3.5Å; I264-A267 PolarHBondContact O-N 3.33Å; I264-A267 VanDerWaalsContact O-N 3.08Å; A265-A267 VanDerWaalsContact C-N 3.35Å; A265-A267 PolarHBondContact O-N 3.14Å; A267-R270 CarbonylContact O-C 3.53Å; A267-R270 PolarHBondContact O-N 2.73Å; A267-G271 PolarHBondContact O-N 3.39Å; A267-V272 HydrophobicContact CB-CB 4.2Å; A267-V272 HydrophobicContact CB-CG2 4.3Å; A267-V272 WeakPolarHBondContact O-CB 3.48Å; A267-V272 WeakPolarHBondContact O-CG2 3.38Å; A267-V272 PolarHBondContact O-N 3.09Å; A267-V274 HydrophobicContact CB-CG1 3.86Å
268K97.4Very high98.1Very high62 Ų6229.6 Ų29.627%0.2714%0.141SC..Hα-helixtrans-62.9-41.9173.1-70.3-174.366.6-177.70112.5I264 A265 R270 G271 V274 G324 D325I264-K268 HydrophobicContact CG2-CD 4.37Å; I264-K268 WeakPolarHBondContact O-CG 3.28Å; I264-K268 PolarHBondContact O-N 3.03Å; A265-K268 PolarHBondContact O-N 3.08Å; K268-R270 VanDerWaalsContact C-N 3.29Å; K268-R270 PolarHBondContact O-N 3.37Å; K268-G271 VanDerWaalsContact O-CA 3.29Å; K268-G271 WeakPolarHBondContact O-CA 3.45Å; K268-G271 PolarHBondContact O-N 3.26Å; K268-V274 HydrophobicContact CG-CG1 3.67Å; K268-G324 PolarHBondContact NZ-O 3.18Å; K268-D325 WeakPolarHBondContact CD-O 3.48Å
269R97.3Very high98.1Very high175 Ų17527.6 Ų27.666%0.6613%0.132SC*.Hα-helixtrans-63.2-33174.6-66.7166.5-159.6170.96.4112.3A265 Q266 G271 D325A265-R269 VanDerWaalsContact O-CG 3.28Å; A265-R269 WeakPolarHBondContact O-CG 3.36Å; A265-R269 PolarHBondContact O-N 3.46Å; Q266-R269 PolarHBondContact O-N 2.87Å; R269-G271 PolarHBondContact O-N 3.32Å; R269-D325 IonicContact CZ-OD2 2.68Å; R269-D325 IonicContact NE-OD2 3.39Å; R269-D325 IonicContact NH2-OD2 2.85Å; R269-D325 PolarHBondContact NH2-OD2 3.04Å
270R95.9Very high98.1Very high116 Ų11626.5 Ų26.544%0.43812%0.121SC..THydrogen-bonded Turntrans-74.74.4167.6-65.2-176.9-62.3-102.64114Q266 A267 K268 V272Q266-R270 WeakPolarHBondContact O-CG 3.44Å; Q266-R270 PolarHBondContact O-N 2.95Å; A267-R270 CarbonylContact O-C 3.53Å; A267-R270 PolarHBondContact O-N 2.73Å; K268-R270 VanDerWaalsContact C-N 3.29Å; K268-R270 PolarHBondContact O-N 3.37Å; R270-V272 PolarHBondContact O-N 2.79Å
271G95Very high98.1Very high25 Ų2526.5 Ų26.526%0.25812%0.121SC..THydrogen-bonded Turntrans75.813.2-18000000115.3A267 K268 R269 R485A267-G271 PolarHBondContact O-N 3.39Å; K268-G271 VanDerWaalsContact O-CA 3.29Å; K268-G271 WeakPolarHBondContact O-CA 3.45Å; K268-G271 PolarHBondContact O-N 3.26Å; R269-G271 PolarHBondContact O-N 3.32Å; G271-R485 PolarHBondContact O-NH1 3.41Å; G271-R485 PolarHBondContact O-NH2 3.24Å
272V96.8Very high98.1Very high7 Ų726.7 Ų26.74%0.04212%0.122CC..  trans-64.8143.9175.4-175.30000109.9V240 K244 A267 R270 V274V240-V272 HydrophobicContact CG1-CG1 4.46Å; V240-V272 HydrophobicContact CG1-CG2 4.44Å; K244-V272 HydrophobicContact CD-CG2 4.11Å; K244-V272 HydrophobicContact CG-CG2 4.39Å; A267-V272 HydrophobicContact CB-CB 4.2Å; A267-V272 HydrophobicContact CB-CG2 4.3Å; A267-V272 WeakPolarHBondContact O-CB 3.48Å; A267-V272 WeakPolarHBondContact O-CG2 3.38Å; A267-V272 PolarHBondContact O-N 3.09Å; R270-V272 PolarHBondContact O-N 2.79Å; V272-V274 VanDerWaalsContact C-N 3.31Å; V272-V274 HydrophobicContact CB-CG1 4.39Å; V272-V274 HydrophobicContact CG1-CB 4.27Å; V272-V274 HydrophobicContact CG1-CG1 4.4Å; V272-V274 PolarHBondContact O-N 3.05Å; V272-V274 VanDerWaalsContact O-N 3.16Å
273V97.8Very high98Very high2 Ų223.9 Ų23.91%0.01211%0.108CC..  trans-85.182.8170.7-175.90000107.5P249 L250 F275 V478 R481 I482P249-V273 HydrophobicContact CB-CG1 3.86Å; L250-V273 PolarHBondContact N-O 3.3Å; V273-F275 HydrophobicContact CG1-CE2 4.08Å; V273-F275 HydrophobicContact CG1-CZ 4.34Å; V273-V478 HydrophobicContact CG1-CG1 4.5Å; V273-R481 HydrophobicContact CG2-CB 4.26Å; V273-I482 HydrophobicContact CB-CD1 3.94Å; V273-I482 HydrophobicContact CG1-CD1 4.45Å; V273-I482 HydrophobicContact CG2-CD1 3.66Å; V273-I482 HydrophobicContact CG2-CG1 4.31Å
274V98.6Very high97.9Very high1 Ų123.6 Ų23.61%0.00611%0.105CC..EExtended strand (participates in β ladder)trans-124.2144.8175.6620000109.8V240 L250 I252 I264 A267 K268 V272V240-V274 HydrophobicContact CG2-CG2 4.16Å; L250-V274 HydrophobicContact CB-CB 4.35Å; L250-V274 HydrophobicContact CB-CG2 4.16Å; L250-V274 HydrophobicContact CD2-CG2 4.01Å; L250-V274 HydrophobicContact CG-CG2 4.13Å; L250-V274 CarbonylContact O-C 3.47Å; L250-V274 VanDerWaalsContact O-CA 3.3Å; L250-V274 WeakPolarHBondContact O-CA 3.37Å; I252-V274 HydrophobicContact CG1-CG2 4.18Å; I264-V274 HydrophobicContact CG2-CG1 4.22Å; I264-V274 HydrophobicContact CG2-CG2 4.37Å; A267-V274 HydrophobicContact CB-CG1 3.86Å; K268-V274 HydrophobicContact CG-CG1 3.67Å; V272-V274 VanDerWaalsContact C-N 3.31Å; V272-V274 HydrophobicContact CB-CG1 4.39Å; V272-V274 HydrophobicContact CG1-CB 4.27Å; V272-V274 HydrophobicContact CG1-CG1 4.4Å; V272-V274 PolarHBondContact O-N 3.05Å; V272-V274 VanDerWaalsContact O-N 3.16Å
275F98.8Very high97.8Very high8 Ų824.4 Ų24.44%0.03511%0.11CC..EExtended strand (participates in β ladder)trans-120.6152.9171.4-54.4-81.3000110.3L194 L250 Y251 I252 V273 Q327 I391 F477 V478L194-F275 HydrophobicContact CD1-CD2 4.4Å; L194-F275 HydrophobicContact CD1-CE2 4.5Å; L250-F275 WeakPolarHBondContact O-CD2 3.43Å; L250-F275 PolarHBondContact O-N 3.36Å; Y251-F275 HydrophobicContact CD2-CB 3.64Å; Y251-F275 HydrophobicContact CD2-CD2 4.46Å; Y251-F275 HydrophobicContact CD2-CG 4.34Å; Y251-F275 HydrophobicContact CE2-CB 4.2Å; Y251-F275 HydrophobicContact CG-CB 4.35Å; I252-F275 PolarHBondContact N-O 3.22Å; V273-F275 HydrophobicContact CG1-CE2 4.08Å; V273-F275 HydrophobicContact CG1-CZ 4.34Å; F275-Q327 HydrophobicContact CD1-CG 4.2Å; F275-I391 HydrophobicContact CB-CD1 4.5Å; F275-I391 HydrophobicContact CD1-CD1 3.71Å; F275-I391 HydrophobicContact CD1-CG1 4.22Å; F275-I391 HydrophobicContact CE1-CD1 4.06Å; F275-I391 HydrophobicContact CE1-CG1 4.09Å; F275-I391 HydrophobicContact CG-CD1 4.05Å; F275-I391 HydrophobicContact CZ-CG1 4.34Å; F275-F477 HydrophobicContact CE1-CD1 4.23Å; F275-F477 AromaticContact CE1-CE1 3.67Å; F275-F477 HydrophobicContact CE1-CE1 3.67Å; F275-F477 HydrophobicContact CZ-CD1 4.27Å; F275-F477 HydrophobicContact CZ-CE1 4.16Å; F275-V478 HydrophobicContact CE2-CG1 4.2Å; F275-V478 HydrophobicContact CE2-CG2 3.91Å; F275-V478 HydrophobicContact CZ-CG2 3.99Å
276G98.6Very high97.7Very high0 Ų026.4 Ų26.40%012%0.121CC..EExtended strand (participates in β ladder)trans-131.8137.5178.600000112.7Q327G276-Q327 PolarHBondContact O-N 2.78Å; G276-Q327 VanDerWaalsContact O-N 3.13Å
277E98.6Very high97.6Very high0 Ų022 Ų220%010%0.1CC..EExtended strand (participates in β ladder)trans-119.590.7-175.6-172.9-147.1160.900111.7V72 H73 Y251 I252 T253 K254 V255 I279 V328 G330V72-E277 HydrophobicContact CG2-CG 4.08Å; H73-E277 WeakPolarHBondContact CB-OE1 3.47Å; H73-E277 IonicContact CG-OE1 2.77Å; H73-E277 IonicContact ND1-OE1 3.8Å; H73-E277 IonicContact ND1-OE2 3.65Å; H73-E277 PolarHBondContact ND1-OE2 3.03Å; Y251-E277 HydrophobicContact CE1-CB 3.67Å; Y251-E277 HydrophobicContact CE1-CG 4.22Å; Y251-E277 WeakPolarHBondContact OH-CB 3.26Å; Y251-E277 WeakPolarHBondContact OH-CG 3.35Å; I252-E277 WeakPolarHBondContact O-CB 3.48Å; I252-E277 PolarHBondContact O-N 2.87Å; T253-E277 WeakPolarHBondContact CA-OE2 3.23Å; T253-E277 WeakPolarHBondContact CB-OE2 3.37Å; K254-E277 PolarHBondContact N-O 3.28Å; V255-E277 PolarHBondContact N-O 3.08Å; E277-I279 WeakPolarHBondContact OE1-CG2 3.37Å; E277-V328 WeakPolarHBondContact CA-O 3.16Å; E277-G330 WeakPolarHBondContact OE1-CA 3.28Å
278P98.7Very high97.4Very high0 Ų024.8 Ų24.80%012%0.12CC..EExtended strand (participates in β ladder)trans-67.8147.1160.730.6-35.1000109.9L283 L321 L326 V328 T329 G330P278-L283 HydrophobicContact CB-CD1 4.21Å; P278-L283 HydrophobicContact CB-CD2 3.89Å; P278-L283 HydrophobicContact CB-CG 4.09Å; P278-L283 HydrophobicContact CG-CD1 4.33Å; P278-L283 HydrophobicContact CG-CD2 4.37Å; P278-L321 HydrophobicContact CG-CD1 4.13Å; P278-L326 HydrophobicContact CB-CD1 4.2Å; P278-L326 HydrophobicContact CG-CB 4.16Å; P278-L326 HydrophobicContact CG-CD1 3.84Å; P278-V328 WeakPolarHBondContact CD-O 3.24Å; P278-T329 HydrophobicContact CG-CG2 4.49Å; P278-T329 WeakPolarHBondContact O-CA 3.34Å; P278-G330 PolarHBondContact O-N 3.18Å
279I98.7Very high97.3Very high0 Ų024.1 Ų24.10%012%0.118CC..BIsolated β-bridgetrans-110.8163.2-178.360.8166.3000112.6K254 M256 E277 A281 S282 L283 G330 A332K254-I279 HydrophobicContact CG-CD1 4.41Å; K254-I279 HydrophobicContact CG-CG2 4.21Å; M256-I279 HydrophobicContact CE-CD1 4.22Å; M256-I279 HydrophobicContact CE-CG1 4.45Å; M256-I279 HydrophobicContact SD-CD1 3.6Å; M256-I279 VanDerWaalsContact SD-CD1 3.6Å; M256-I279 HydrophobicContact SD-CG1 3.59Å; M256-I279 VanDerWaalsContact SD-CG1 3.59Å; E277-I279 WeakPolarHBondContact OE1-CG2 3.37Å; I279-A281 HydrophobicContact CD1-CB 4.01Å; I279-A281 HydrophobicContact CG1-CB 4.24Å; I279-A281 PolarHBondContact O-N 2.83Å; I279-S282 PolarHBondContact N-OG 3.03Å; I279-S282 PolarHBondContact O-N 3.03Å; I279-S282 PolarHBondContact O-OG 3.36Å; I279-L283 PolarHBondContact O-N 3.42Å; I279-G330 CarbonylContact C-O 3.5Å; I279-G330 VanDerWaalsContact CA-O 3.25Å; I279-G330 WeakPolarHBondContact CA-O 3.16Å; I279-A332 HydrophobicContact CB-CB 4.46Å; I279-A332 HydrophobicContact CD1-CB 3.79Å; I279-A332 HydrophobicContact CG2-CB 3.95Å
280T98.6Very high97.4Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-46.3-41.6178.6-43.50000112.8L283 G284 G330 G357 E360 R361 V364 F434T280-L283 PolarHBondContact O-N 2.96Å; T280-G284 WeakPolarHBondContact O-CA 3.4Å; T280-G284 PolarHBondContact O-N 3.13Å; T280-G330 PolarHBondContact N-O 2.61Å; T280-G330 PolarHBondContact OG1-O 3.18Å; T280-G357 PolarHBondContact OG1-O 2.79Å; T280-E360 HydrophobicContact CG2-CB 4.24Å; T280-R361 HydrophobicContact CG2-CB 4.5Å; T280-R361 WeakPolarHBondContact OG1-CB 3.35Å; T280-R361 WeakPolarHBondContact OG1-CG 3.46Å; T280-V364 HydrophobicContact CG2-CB 3.9Å; T280-V364 HydrophobicContact CG2-CG1 3.99Å; T280-V364 HydrophobicContact CG2-CG2 3.97Å; T280-F434 HydrophobicContact CG2-CE1 4.23Å; T280-F434 HydrophobicContact CG2-CE2 3.79Å; T280-F434 HydrophobicContact CG2-CZ 3.52Å; T280-F434 WeakPolarHBondContact O-CE1 3.47Å; T280-F434 WeakPolarHBondContact O-CZ 3.49Å
281A98.4Very high97.5Very high0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-59.9-55176.800000112.3M256 I279 L283 G284 T285 V307 I433M256-A281 HydrophobicContact CE-CB 4.4Å; I279-A281 HydrophobicContact CD1-CB 4.01Å; I279-A281 HydrophobicContact CG1-CB 4.24Å; I279-A281 PolarHBondContact O-N 2.83Å; A281-L283 PolarHBondContact O-N 2.98Å; A281-L283 VanDerWaalsContact O-N 3.15Å; A281-G284 PolarHBondContact O-N 3.34Å; A281-T285 PolarHBondContact O-N 2.82Å; A281-T285 VanDerWaalsContact O-N 3.15Å; A281-V307 HydrophobicContact CB-CG2 4.19Å; A281-I433 HydrophobicContact CB-CD1 3.65Å
282S98.5Very high97.6Very high4 Ų417.1 Ų17.13%0.0289%0.089CC..Hα-helixtrans-60.4-23.4-179.169.60000115.1I279 A314I279-S282 PolarHBondContact N-OG 3.03Å; I279-S282 PolarHBondContact O-N 3.03Å; I279-S282 PolarHBondContact O-OG 3.36Å; S282-A314 WeakPolarHBondContact O-CA 3.12Å; S282-A314 WeakPolarHBondContact O-CB 3.3Å
283L98.2Very high97.6Very high0 Ų027.1 Ų27.10%013%0.132CC..Hα-helixtrans-99-30.3-179.8-58.5175.6000112.5P278 I279 T280 A281 L317 T318 L321 T329 V365 K368P278-L283 HydrophobicContact CB-CD1 4.21Å; P278-L283 HydrophobicContact CB-CD2 3.89Å; P278-L283 HydrophobicContact CB-CG 4.09Å; P278-L283 HydrophobicContact CG-CD1 4.33Å; P278-L283 HydrophobicContact CG-CD2 4.37Å; I279-L283 PolarHBondContact O-N 3.42Å; T280-L283 PolarHBondContact O-N 2.96Å; A281-L283 PolarHBondContact O-N 2.98Å; A281-L283 VanDerWaalsContact O-N 3.15Å; L283-L317 HydrophobicContact CD2-CB 3.74Å; L283-T318 HydrophobicContact CD2-CG2 3.76Å; L283-L321 HydrophobicContact CD1-CD2 4.12Å; L283-T329 HydrophobicContact CD1-CG2 3.74Å; L283-V365 HydrophobicContact CD1-CG2 4.05Å; L283-K368 WeakPolarHBondContact O-CE 3.48Å; L283-K368 WeakPolarHBondContact O-CG 3.41Å
284G96.4Very high97.7Very high3 Ų330.5 Ų30.53%0.03115%0.15CC..Hα-helixtrans-91.4-32.7-170.400000115T280 A281 V364 K368T280-G284 WeakPolarHBondContact O-CA 3.4Å; T280-G284 PolarHBondContact O-N 3.13Å; A281-G284 PolarHBondContact O-N 3.34Å; G284-V364 VanDerWaalsContact CA-CG1 3.45Å; G284-K368 VanDerWaalsContact O-CE 3.31Å; G284-K368 WeakPolarHBondContact O-CE 3.3Å; G284-K368 PolarHBondContact O-NZ 3.43Å
285T96.4Very high97.6Very high17 Ų1733.7 Ų33.710%0.10416%0.162CC..  trans-146.1178.9-167.7-161.60000111.8A281 F301 V307 I433 F434A281-T285 PolarHBondContact O-N 2.82Å; A281-T285 VanDerWaalsContact O-N 3.15Å; T285-F301 HydrophobicContact CG2-CD1 4.3Å; T285-F301 HydrophobicContact CG2-CE1 3.77Å; T285-V307 HydrophobicContact CG2-CG1 4.15Å; T285-I433 HydrophobicContact CG2-CD1 4.1Å; T285-I433 PolarHBondContact OG1-O 3.43Å; T285-F434 HydrophobicContact CG2-CD1 4.33Å; T285-F434 HydrophobicContact CG2-CE1 3.94Å
286D95.9Very high97.6Very high42 Ų4234.2 Ų34.223%0.22517%0.168CC..  trans-132.4164.9-178.97068.2000112.8S288 V307D286-S288 VanDerWaalsContact C-N 3.29Å; D286-S288 PolarHBondContact O-N 3.11Å; D286-S288 WeakPolarHBondContact OD1-CB 3.37Å; D286-S288 PolarHBondContact OD1-N 3.29Å; D286-S288 PolarHBondContact OD1-OG 3.38Å; D286-V307 VanDerWaalsContact C-CG1 3.48Å
287G95.6Very high97.6Very high0 Ų037.5 Ų37.50%018%0.182CC..G310 helixtrans-75.8-2.5-176.400000115.6H289 Y290 W291 V307 N308G287-H289 PolarHBondContact O-N 2.95Å; G287-Y290 WeakPolarHBondContact O-CD2 3.24Å; G287-Y290 PolarHBondContact O-N 2.89Å; G287-Y290 VanDerWaalsContact O-N 3.07Å; G287-W291 WeakPolarHBondContact O-CZ3 3.35Å; G287-V307 WeakPolarHBondContact CA-O 3.43Å; G287-N308 PolarHBondContact N-O 3Å
288S95.4Very high97.6Very high59 Ų5937.6 Ų37.641%0.41318%0.183SC..G310 helixtrans-57.9-23.2178.868.50000112.6D286 Y290 W291D286-S288 VanDerWaalsContact C-N 3.29Å; D286-S288 PolarHBondContact O-N 3.11Å; D286-S288 WeakPolarHBondContact OD1-CB 3.37Å; D286-S288 PolarHBondContact OD1-N 3.29Å; D286-S288 PolarHBondContact OD1-OG 3.38Å; S288-Y290 VanDerWaalsContact C-N 3.27Å; S288-Y290 PolarHBondContact O-N 3.42Å; S288-W291 PolarHBondContact O-N 3.48Å
289H95.9Very high97.6Very high48 Ų4837.6 Ų37.622%0.22218%0.183CC..G310 helixtrans-66.8-18.1178.1-64.9-34.1000115G287 W291 S292 A298 F301G287-H289 PolarHBondContact O-N 2.95Å; H289-W291 PolarHBondContact O-N 3.35Å; H289-S292 WeakPolarHBondContact O-CB 3.37Å; H289-S292 PolarHBondContact O-N 2.9Å; H289-S292 VanDerWaalsContact O-N 3.08Å; H289-A298 WeakPolarHBondContact O-CA 3.3Å; H289-F301 HydrophobicContact CB-CD1 4Å; H289-F301 HydrophobicContact CB-CD2 3.75Å; H289-F301 HydrophobicContact CB-CE1 3.92Å; H289-F301 HydrophobicContact CB-CE2 3.67Å; H289-F301 HydrophobicContact CB-CG 3.93Å; H289-F301 HydrophobicContact CB-CZ 3.76Å; H289-F301 AromaticContact CD2-CE1 3.3Å; H289-F301 WeakPolarHBondContact CD2-CE1 3.23Å; H289-F301 AromaticContact CD2-CE2 3.98Å; H289-F301 AromaticContact CD2-CZ 3.19Å; H289-F301 WeakPolarHBondContact CD2-CZ 3.39Å; H289-F301 AromaticContact CG-CE1 3.94Å; H289-F301 AromaticContact CG-CE2 3.98Å; H289-F301 AromaticContact CG-CZ 3.66Å
290Y97.9Very high97.5Very high1 Ų138.2 Ų38.20%0.00419%0.188CC..G310 helixtrans-62.1-29.9171.7-65.4-60.2000112.7P220 V224 G287 S288 S292 A298 F301 V302 P306 V307P220-Y290 HydrophobicContact CB-CD1 4.47Å; V224-Y290 HydrophobicContact CB-CD2 3.54Å; V224-Y290 HydrophobicContact CB-CE2 3.68Å; V224-Y290 HydrophobicContact CB-CG 4.19Å; V224-Y290 HydrophobicContact CG1-CD2 3.49Å; V224-Y290 VanDerWaalsContact CG1-CD2 3.49Å; V224-Y290 HydrophobicContact CG1-CE2 4.18Å; V224-Y290 HydrophobicContact CG1-CG 3.82Å; V224-Y290 HydrophobicContact CG2-CD2 3.95Å; V224-Y290 HydrophobicContact CG2-CE2 3.96Å; G287-Y290 WeakPolarHBondContact O-CD2 3.24Å; G287-Y290 PolarHBondContact O-N 2.89Å; G287-Y290 VanDerWaalsContact O-N 3.07Å; S288-Y290 VanDerWaalsContact C-N 3.27Å; S288-Y290 PolarHBondContact O-N 3.42Å; Y290-S292 PolarHBondContact O-N 2.81Å; Y290-A298 WeakPolarHBondContact O-CB 3.36Å; Y290-F301 HydrophobicContact CD1-CB 4.11Å; Y290-F301 VanDerWaalsContact CE1-C 3.47Å; Y290-F301 HydrophobicContact CE1-CB 3.59Å; Y290-F301 WeakPolarHBondContact CE1-O 3.46Å; Y290-F301 PolarHBondContact OH-O 3.01Å; Y290-V302 HydrophobicContact CD1-CG2 4.45Å; Y290-V302 HydrophobicContact CE1-CG2 4.09Å; Y290-P306 HydrophobicContact CE2-CB 4.18Å; Y290-V307 HydrophobicContact CE2-CB 4.33Å; Y290-V307 WeakPolarHBondContact CE2-O 3.38Å; Y290-V307 PolarHBondContact OH-N 2.78Å
291W98.1Very high97.5Very high130 Ų13038.4 Ų38.449%0.49219%0.189SC..G310 helixtrans-86.317.1175.3-67.7-91.3000113.5E221 V224 L225 G287 S288 H289 K293 P309E221-W291 HydrophobicContact CB-CD2 4.46Å; V224-W291 HydrophobicContact CG1-CH2 3.57Å; V224-W291 HydrophobicContact CG1-CZ2 4.18Å; V224-W291 HydrophobicContact CG1-CZ3 4Å; L225-W291 HydrophobicContact CD2-CZ2 4.38Å; L225-W291 HydrophobicContact CG-CZ2 4.4Å; G287-W291 WeakPolarHBondContact O-CZ3 3.35Å; S288-W291 PolarHBondContact O-N 3.48Å; H289-W291 PolarHBondContact O-N 3.35Å; W291-K293 PolarHBondContact O-N 3.49Å; W291-P309 HydrophobicContact CH2-CB 4.13Å; W291-P309 HydrophobicContact CZ3-CB 3.85Å
292S97.7Very high97.5Very high37 Ų3738.4 Ų38.426%0.25919%0.189SC..  trans-65127.2175.5-170.30000111.5H289 Y290 N294H289-S292 WeakPolarHBondContact O-CB 3.37Å; H289-S292 PolarHBondContact O-N 2.9Å; H289-S292 VanDerWaalsContact O-N 3.08Å; Y290-S292 PolarHBondContact O-N 2.81Å; S292-N294 CarbonylContact O-C 3.14Å; S292-N294 PolarHBondContact O-N 2.89Å; S292-N294 PolarHBondContact OG-N 2.81Å
293K97.8Very high97.5Very high218 Ų21838.5 Ų38.595%0.94819%0.189SC*.SBendtrans-59.8-17.5171.4-63.7-172.7179.5-176.50113.6W291W291-K293 PolarHBondContact O-N 3.49Å
294N98Very high97.4Very high73 Ų7338.6 Ų38.639%0.3919%0.19SC..SBendtrans-89.1104.8167.5175-4.9000108.3S292 A296 K297 A298 Y431S292-N294 CarbonylContact O-C 3.14Å; S292-N294 PolarHBondContact O-N 2.89Å; S292-N294 PolarHBondContact OG-N 2.81Å; N294-A296 VanDerWaalsContact C-N 3.27Å; N294-A296 PolarHBondContact O-N 3.49Å; N294-A296 WeakPolarHBondContact OD1-CB 3.34Å; N294-A296 PolarHBondContact OD1-N 3.05Å; N294-K297 HydrophobicContact CB-CB 4.06Å; N294-K297 WeakPolarHBondContact O-CB 3.47Å; N294-K297 PolarHBondContact O-N 2.94Å; N294-K297 VanDerWaalsContact O-N 3.08Å; N294-K297 PolarHBondContact OD1-N 2.92Å; N294-A298 PolarHBondContact O-N 2.91Å; N294-Y431 PolarHBondContact ND2-OH 2.75Å
295W98.4Very high97.5Very high67 Ų6738.6 Ų38.625%0.25419%0.189SC..Hα-helixtrans-53.1-41.9179.8-17896.7000112.8K297 A298 A299 K341 A342 K345 I351W295-K297 VanDerWaalsContact C-N 3.35Å; W295-K297 PolarHBondContact O-N 3.01Å; W295-A298 PolarHBondContact O-N 2.86Å; W295-A299 HydrophobicContact CD2-CB 4.32Å; W295-A299 HydrophobicContact CE3-CB 4.1Å; W295-A299 HydrophobicContact CH2-CB 3.36Å; W295-A299 HydrophobicContact CZ2-CB 3.69Å; W295-A299 HydrophobicContact CZ3-CB 3.62Å; W295-A299 WeakPolarHBondContact O-CB 3.36Å; W295-A299 PolarHBondContact O-N 3.23Å; W295-K341 HydrophobicContact CH2-CB 4.31Å; W295-K341 WeakPolarHBondContact CH2-O 3.45Å; W295-A342 HydrophobicContact CH2-CB 4.34Å; W295-A342 HydrophobicContact CZ3-CB 4.13Å; W295-K345 HydrophobicContact CH2-CB 4.47Å; W295-K345 VanDerWaalsContact CZ2-CA 3.48Å; W295-K345 HydrophobicContact CZ2-CB 4.11Å; W295-I351 HydrophobicContact CH2-CD1 4.49Å; W295-I351 HydrophobicContact CZ2-CD1 3.78Å; W295-I351 HydrophobicContact CZ2-CG1 4.11Å
296A98Very high97.6Very high19 Ų1938.3 Ų38.316%0.15719%0.188CC..Hα-helixtrans-66.2-38-179.500000111.9N294 A300 T338 Y431N294-A296 VanDerWaalsContact C-N 3.27Å; N294-A296 PolarHBondContact O-N 3.49Å; N294-A296 WeakPolarHBondContact OD1-CB 3.34Å; N294-A296 PolarHBondContact OD1-N 3.05Å; A296-A300 PolarHBondContact O-N 3.39Å; A296-A300 VanDerWaalsContact O-N 3.14Å; A296-T338 HydrophobicContact CB-CG2 3.68Å; A296-Y431 HydrophobicContact CB-CE2 3.75Å
297K97.8Very high97.7Very high70 Ų7036.3 Ų36.330%0.30418%0.177SC..Hα-helixtrans-63.1-46171.5-179.6173177.1172.60110.8N294 W295 A300 F301 Y431N294-K297 HydrophobicContact CB-CB 4.06Å; N294-K297 WeakPolarHBondContact O-CB 3.47Å; N294-K297 PolarHBondContact O-N 2.94Å; N294-K297 VanDerWaalsContact O-N 3.08Å; N294-K297 PolarHBondContact OD1-N 2.92Å; W295-K297 VanDerWaalsContact C-N 3.35Å; W295-K297 PolarHBondContact O-N 3.01Å; K297-A300 WeakPolarHBondContact O-CB 3.35Å; K297-A300 PolarHBondContact O-N 3.14Å; K297-F301 HydrophobicContact CG-CE2 4.37Å; K297-F301 VanDerWaalsContact O-CD2 3.25Å; K297-F301 WeakPolarHBondContact O-CD2 3.45Å; K297-Y431 HydrophobicContact CB-CD1 4.45Å; K297-Y431 HydrophobicContact CB-CE1 3.9Å; K297-Y431 HydrophobicContact CG-CE1 4.48Å
298A98.5Very high97.8Very high1 Ų137.1 Ų37.11%0.00818%0.181CC..Hα-helixtrans-63.6-44.5179.800000112.4P220 H289 Y290 N294 W295 A300 F301P220-A298 HydrophobicContact CB-CB 3.9Å; P220-A298 HydrophobicContact CG-CB 3.79Å; H289-A298 WeakPolarHBondContact O-CA 3.3Å; Y290-A298 WeakPolarHBondContact O-CB 3.36Å; N294-A298 PolarHBondContact O-N 2.91Å; W295-A298 PolarHBondContact O-N 2.86Å; A298-A300 VanDerWaalsContact C-N 3.28Å; A298-A300 PolarHBondContact O-N 3.24Å; A298-F301 PolarHBondContact O-N 3.06Å
299A98.4Very high97.8Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-64.6-29.117900000113.4P220 W295 F301 V302 K341 I351P220-A299 HydrophobicContact CG-CB 4.1Å; W295-A299 HydrophobicContact CD2-CB 4.32Å; W295-A299 HydrophobicContact CE3-CB 4.1Å; W295-A299 HydrophobicContact CH2-CB 3.36Å; W295-A299 HydrophobicContact CZ2-CB 3.69Å; W295-A299 HydrophobicContact CZ3-CB 3.62Å; W295-A299 WeakPolarHBondContact O-CB 3.36Å; W295-A299 PolarHBondContact O-N 3.23Å; A299-F301 PolarHBondContact O-N 2.74Å; A299-V302 WeakPolarHBondContact O-CB 3.46Å; A299-V302 PolarHBondContact O-N 3.4Å; A299-V302 VanDerWaalsContact O-N 3.1Å; A299-K341 HydrophobicContact CB-CB 4.25Å; A299-K341 WeakPolarHBondContact O-CD 3.48Å; A299-K341 WeakPolarHBondContact O-CE 3.46Å; A299-K341 PolarHBondContact O-NZ 3.14Å; A299-I351 HydrophobicContact CB-CD1 4.25Å; A299-I351 HydrophobicContact CB-CG2 4.4Å
300A98.2Very high97.9Very high13 Ų1337.4 Ų37.411%0.10718%0.183CC..THydrogen-bonded Turntrans-61.3-22.7175.800000113.6A296 K297 A298 Y431 I433A296-A300 PolarHBondContact O-N 3.39Å; A296-A300 VanDerWaalsContact O-N 3.14Å; K297-A300 WeakPolarHBondContact O-CB 3.35Å; K297-A300 PolarHBondContact O-N 3.14Å; A298-A300 VanDerWaalsContact C-N 3.28Å; A298-A300 PolarHBondContact O-N 3.24Å; A300-Y431 HydrophobicContact CB-CG 4.16Å; A300-I433 WeakPolarHBondContact O-CG2 3.34Å
301F98.4Very high97.7Very high5 Ų541.4 Ų41.42%0.02221%0.209CC..THydrogen-bonded Turntrans-89.9-7.2177.2-72.7-104.3000113.5T285 H289 Y290 K297 A298 A299 T303 I433T285-F301 HydrophobicContact CG2-CD1 4.3Å; T285-F301 HydrophobicContact CG2-CE1 3.77Å; H289-F301 HydrophobicContact CB-CD1 4Å; H289-F301 HydrophobicContact CB-CD2 3.75Å; H289-F301 HydrophobicContact CB-CE1 3.92Å; H289-F301 HydrophobicContact CB-CE2 3.67Å; H289-F301 HydrophobicContact CB-CG 3.93Å; H289-F301 HydrophobicContact CB-CZ 3.76Å; H289-F301 AromaticContact CD2-CE1 3.3Å; H289-F301 WeakPolarHBondContact CD2-CE1 3.23Å; H289-F301 AromaticContact CD2-CE2 3.98Å; H289-F301 AromaticContact CD2-CZ 3.19Å; H289-F301 WeakPolarHBondContact CD2-CZ 3.39Å; H289-F301 AromaticContact CG-CE1 3.94Å; H289-F301 AromaticContact CG-CE2 3.98Å; H289-F301 AromaticContact CG-CZ 3.66Å; Y290-F301 HydrophobicContact CD1-CB 4.11Å; Y290-F301 VanDerWaalsContact CE1-C 3.47Å; Y290-F301 HydrophobicContact CE1-CB 3.59Å; Y290-F301 WeakPolarHBondContact CE1-O 3.46Å; Y290-F301 PolarHBondContact OH-O 3.01Å; K297-F301 HydrophobicContact CG-CE2 4.37Å; K297-F301 VanDerWaalsContact O-CD2 3.25Å; K297-F301 WeakPolarHBondContact O-CD2 3.45Å; A298-F301 PolarHBondContact O-N 3.06Å; A299-F301 PolarHBondContact O-N 2.74Å; F301-T303 PolarHBondContact O-N 3.4Å; F301-I433 HydrophobicContact CD1-CB 4.09Å; F301-I433 HydrophobicContact CD1-CG2 4.11Å; F301-I433 HydrophobicContact CD2-CG2 4.1Å; F301-I433 HydrophobicContact CE1-CB 3.6Å; F301-I433 HydrophobicContact CE1-CG2 4.05Å; F301-I433 HydrophobicContact CE2-CB 4.2Å; F301-I433 HydrophobicContact CE2-CG2 4.05Å; F301-I433 HydrophobicContact CG-CG2 4.12Å; F301-I433 HydrophobicContact CZ-CB 3.66Å; F301-I433 HydrophobicContact CZ-CG2 4.02Å; F301-I433 VanDerWaalsContact CZ-O 3.3Å; F301-I433 WeakPolarHBondContact CZ-O 3.47Å
302V98.6Very high97.7Very high0 Ų038.5 Ų38.50%021%0.206CC..  trans-67.2116.4-176172.90000110.5P220 H223 Y290 A299 K341 I351 G354P220-V302 HydrophobicContact CB-CG2 3.9Å; H223-V302 HydrophobicContact CB-CG1 4.45Å; H223-V302 HydrophobicContact CB-CG2 4.41Å; Y290-V302 HydrophobicContact CD1-CG2 4.45Å; Y290-V302 HydrophobicContact CE1-CG2 4.09Å; A299-V302 WeakPolarHBondContact O-CB 3.46Å; A299-V302 PolarHBondContact O-N 3.4Å; A299-V302 VanDerWaalsContact O-N 3.1Å; V302-K341 PolarHBondContact O-NZ 3.38Å; V302-I351 HydrophobicContact CB-CG2 3.84Å; V302-I351 HydrophobicContact CG1-CB 4.11Å; V302-I351 HydrophobicContact CG1-CG2 3.85Å; V302-I351 HydrophobicContact CG2-CD1 4.13Å; V302-I351 HydrophobicContact CG2-CG2 4.12Å; V302-G354 PolarHBondContact O-N 3.39Å
303T97.8Very high97.7Very high6 Ų636.9 Ų36.94%0.03719%0.194CC..  trans-158.2163.1-179.7-169.70000108.5H223 F301 P305 P306 V307 T355H223-T303 PolarHBondContact CD2-O 3.19Å; H223-T303 PolarHBondContact NE2-O 3.46Å; F301-T303 PolarHBondContact O-N 3.4Å; T303-P305 CarbonylContact C-O 3.58Å; T303-P305 CarbonylContact O-C 3.42Å; T303-P306 VanDerWaalsContact O-CA 3.27Å; T303-P306 WeakPolarHBondContact O-CA 3.21Å; T303-V307 HydrophobicContact CG2-CG2 4.13Å; T303-T355 HydrophobicContact CG2-CG2 4.08Å
304S96.7Very high97.7Very high1 Ų127.3 Ų27.31%0.00716%0.156CC..SBendtrans-131.2124.2-176.9-61.60000110.7H198 E200 H223 K254 E353H198-S304 PolarHBondContact CE1-O 3.38Å; E200-S304 WeakPolarHBondContact OE2-CB 3.48Å; H223-S304 PolarHBondContact CE1-OG 2.99Å; H223-S304 PolarHBondContact NE2-OG 3.19Å; H223-S304 VanDerWaalsContact NE2-OG 3.09Å; K254-S304 VanDerWaalsContact CE-O 3.32Å; K254-S304 WeakPolarHBondContact CE-O 3.48Å; K254-S304 PolarHBondContact NZ-O 3.43Å; S304-E353 VanDerWaalsContact CB-OE2 3.31Å; S304-E353 WeakPolarHBondContact CB-OE2 3.32Å; S304-E353 PolarHBondContact OG-OE1 3.02Å; S304-E353 PolarHBondContact OG-OE2 2.96Å
305P98.3Very high97.7Very high3 Ų328.3 Ų28.32%0.01916%0.161CC..SBendcis-63.7154.5-3.4-8.923.5000110.8E200 E232 M256 T303E200-P305 VanDerWaalsContact CD-CA 3.48Å; E200-P305 HydrophobicContact CG-CB 4Å; E200-P305 HydrophobicContact CG-CG 3.77Å; E200-P305 VanDerWaalsContact OE2-CA 3.23Å; E200-P305 WeakPolarHBondContact OE2-CA 3.34Å; E200-P305 VanDerWaalsContact OE2-N 3.1Å; E232-P305 HydrophobicContact CG-CB 4.39Å; E232-P305 HydrophobicContact CG-CG 4.08Å; M256-P305 HydrophobicContact CB-CB 4Å; M256-P305 HydrophobicContact CB-CG 4.45Å; M256-P305 HydrophobicContact CG-CB 3.69Å; M256-P305 HydrophobicContact CG-CG 3.85Å; T303-P305 CarbonylContact C-O 3.58Å; T303-P305 CarbonylContact O-C 3.42Å
306P98.3Very high97.7Very high11 Ų1127.7 Ų27.77%0.07116%0.161CC..PPolyproline II helixtrans-66.2159.4-176.129.8-38.5000112.1V224 H227 M256 Y290 T303 N308V224-P306 HydrophobicContact CB-CB 4.04Å; V224-P306 HydrophobicContact CB-CG 4.48Å; V224-P306 HydrophobicContact CG2-CB 3.95Å; V224-P306 HydrophobicContact CG2-CG 4.1Å; H227-P306 HydrophobicContact CB-CG 3.71Å; H227-P306 WeakPolarHBondContact O-CG 3.41Å; M256-P306 WeakPolarHBondContact CB-O 3.47Å; Y290-P306 HydrophobicContact CE2-CB 4.18Å; T303-P306 VanDerWaalsContact O-CA 3.27Å; T303-P306 WeakPolarHBondContact O-CA 3.21Å; P306-N308 PolarHBondContact O-N 3.46Å
307V97.9Very high97.7Very high1 Ų126.8 Ų26.81%0.00615%0.153CC..PPolyproline II helixtrans-65.8120.1168-171.20000108.1M256 A281 T285 D286 G287 Y290 T303M256-V307 HydrophobicContact CE-CB 4.34Å; M256-V307 HydrophobicContact CE-CG2 4.02Å; A281-V307 HydrophobicContact CB-CG2 4.19Å; T285-V307 HydrophobicContact CG2-CG1 4.15Å; D286-V307 VanDerWaalsContact C-CG1 3.48Å; G287-V307 WeakPolarHBondContact CA-O 3.43Å; Y290-V307 HydrophobicContact CE2-CB 4.33Å; Y290-V307 WeakPolarHBondContact CE2-O 3.38Å; Y290-V307 PolarHBondContact OH-N 2.78Å; T303-V307 HydrophobicContact CG2-CG2 4.13Å
308N97.8Very high97.7Very high16 Ų1623.5 Ų23.59%0.08614%0.139CC..PPolyproline II helixtrans-63.1131.9-171.8-167.8-65.5000111.7E229 M256 G287 P306 D310 T313E229-N308 PolarHBondContact OE2-ND2 2.69Å; M256-N308 WeakPolarHBondContact O-CB 3.44Å; G287-N308 PolarHBondContact N-O 3Å; P306-N308 PolarHBondContact O-N 3.46Å; N308-D310 VanDerWaalsContact C-N 3.31Å; N308-D310 PolarHBondContact O-N 3.01Å; N308-D310 VanDerWaalsContact OD1-CB 3.32Å; N308-D310 WeakPolarHBondContact OD1-CB 3.35Å; N308-D310 PolarHBondContact OD1-N 3.48Å; N308-T313 HydrophobicContact CB-CG2 3.77Å; N308-T313 PolarHBondContact OD1-OG1 3.2Å
309P96.6Very high97.7Very high56 Ų5626.3 Ų26.336%0.36416%0.158SC..SBendtrans-76.3-11.9-176.832-36.7000114.4V224 W291 P311V224-P309 HydrophobicContact CG2-CG 4.21Å; W291-P309 HydrophobicContact CH2-CB 4.13Å; W291-P309 HydrophobicContact CZ3-CB 3.85Å; P309-P311 WeakPolarHBondContact O-CD 3.44Å
310D96.8Very high97.7Very high58 Ų5827.1 Ų27.131%0.3116%0.162SC..  trans-74.7114.5170.3-179.8-17000109.6K258 N308 T312 T313K258-D310 IonicContact NZ-OD1 3.48Å; K258-D310 IonicContact NZ-OD2 2.69Å; K258-D310 PolarHBondContact NZ-OD2 2.65Å; N308-D310 VanDerWaalsContact C-N 3.31Å; N308-D310 PolarHBondContact O-N 3.01Å; N308-D310 VanDerWaalsContact OD1-CB 3.32Å; N308-D310 WeakPolarHBondContact OD1-CB 3.35Å; N308-D310 PolarHBondContact OD1-N 3.48Å; D310-T312 VanDerWaalsContact CG-OG1 3.31Å; D310-T312 PolarHBondContact O-N 3Å; D310-T312 VanDerWaalsContact O-N 3.08Å; D310-T312 WeakPolarHBondContact OD1-CB 3.31Å; D310-T312 PolarHBondContact OD1-N 3.34Å; D310-T312 PolarHBondContact OD1-OG1 3.19Å; D310-T312 PolarHBondContact OD2-OG1 3.08Å; D310-T313 VanDerWaalsContact O-CB 3.32Å; D310-T313 WeakPolarHBondContact O-CB 3.32Å; D310-T313 PolarHBondContact O-N 3.24Å; D310-T313 PolarHBondContact O-OG1 3.21Å
311P94.3Very high97.7Very high84 Ų8426.6 Ų26.655%0.54516%0.158SC..THydrogen-bonded Turntrans-65.3-15.6-176.228.7-36.5000113.4P309 T313P309-P311 WeakPolarHBondContact O-CD 3.44Å; P311-T313 VanDerWaalsContact C-N 3.33Å
312T97.2Very high97.7Very high69 Ų6927.1 Ų27.142%0.42316%0.162SC..THydrogen-bonded Turntrans-86.5-1.6177.166.10000113.2K258 D310 D315 H316K258-T312 PolarHBondContact NZ-OG1 2.69Å; D310-T312 VanDerWaalsContact CG-OG1 3.31Å; D310-T312 PolarHBondContact O-N 3Å; D310-T312 VanDerWaalsContact O-N 3.08Å; D310-T312 WeakPolarHBondContact OD1-CB 3.31Å; D310-T312 PolarHBondContact OD1-N 3.34Å; D310-T312 PolarHBondContact OD1-OG1 3.19Å; D310-T312 PolarHBondContact OD2-OG1 3.08Å; T312-D315 PolarHBondContact O-N 2.72Å; T312-H316 PolarHBondContact O-N 3.47Å; T312-H316 VanDerWaalsContact O-N 3.11Å
313T98.4Very high97.6Very high4 Ų430.9 Ų30.93%0.02519%0.188CC..Hα-helixtrans-65.8-45.8177.8-65.10000112.4M256 K258 N308 D310 P311 D315 H316 L317M256-T313 VanDerWaalsContact O-CG2 3.27Å; M256-T313 WeakPolarHBondContact O-CG2 3.36Å; K258-T313 WeakPolarHBondContact CE-OG1 3.33Å; K258-T313 HydrophobicContact CG-CG2 4.2Å; N308-T313 HydrophobicContact CB-CG2 3.77Å; N308-T313 PolarHBondContact OD1-OG1 3.2Å; D310-T313 VanDerWaalsContact O-CB 3.32Å; D310-T313 WeakPolarHBondContact O-CB 3.32Å; D310-T313 PolarHBondContact O-N 3.24Å; D310-T313 PolarHBondContact O-OG1 3.21Å; P311-T313 VanDerWaalsContact C-N 3.33Å; T313-D315 PolarHBondContact O-N 3.09Å; T313-H316 PolarHBondContact O-N 2.68Å; T313-H316 VanDerWaalsContact O-N 3.09Å; T313-L317 HydrophobicContact CG2-CD1 3.94Å; T313-L317 HydrophobicContact CG2-CG 4.17Å; T313-L317 WeakPolarHBondContact O-CG 3.4Å; T313-L317 PolarHBondContact O-N 3.22Å
314A97.4Very high97.5Very high16 Ų1632 Ų3213%0.13220%0.202CC..Hα-helixtrans-58.3-37.5175.400000112.1S282 T318S282-A314 WeakPolarHBondContact O-CA 3.12Å; S282-A314 WeakPolarHBondContact O-CB 3.3Å; A314-T318 WeakPolarHBondContact O-CB 3.32Å; A314-T318 WeakPolarHBondContact O-CG2 3.33Å; A314-T318 PolarHBondContact O-N 2.87Å; A314-T318 PolarHBondContact O-OG1 2.75Å
315D97.8Very high97.6Very high95 Ų9533 Ų3351%0.50821%0.207SC..Hα-helixtrans-67.1-37.1176.4-93.1-38000113.1T312 T313 T318 C319 K374T312-D315 PolarHBondContact O-N 2.72Å; T313-D315 PolarHBondContact O-N 3.09Å; D315-T318 WeakPolarHBondContact CA-OG1 3.33Å; D315-T318 PolarHBondContact O-OG1 3.2Å; D315-C319 PolarHBondContact O-N 2.87Å; D315-C319 PolarHBondContact O-SG 2.82Å; D315-K374 PolarHBondContact O-NZ 2.88Å; D315-K374 IonicContact OD1-NZ 3.49Å; D315-K374 PolarHBondContact OD1-NZ 3.04Å
316H98.6Very high97.6Very high53 Ų5332.9 Ų32.925%0.24521%0.206CC..Hα-helixtrans-69.3-48174.7-170.481000111.8K258 D262 T312 T313 T318 C319 L320K258-H316 HydrophobicContact CD-CB 4.33Å; K258-H316 HydrophobicContact CG-CB 3.94Å; D262-H316 IonicContact OD1-CE1 3.45Å; D262-H316 PolarHBondContact OD1-CE1 3.13Å; D262-H316 IonicContact OD1-NE2 3.91Å; D262-H316 PolarHBondContact OD1-NE2 3.07Å; D262-H316 IonicContact OD2-NE2 3.4Å; T312-H316 PolarHBondContact O-N 3.47Å; T312-H316 VanDerWaalsContact O-N 3.11Å; T313-H316 PolarHBondContact O-N 2.68Å; T313-H316 VanDerWaalsContact O-N 3.09Å; H316-T318 VanDerWaalsContact C-N 3.33Å; H316-T318 PolarHBondContact O-N 2.64Å; H316-C319 WeakPolarHBondContact O-CB 3.32Å; H316-C319 PolarHBondContact O-N 2.95Å; H316-C319 VanDerWaalsContact O-N 3.12Å; H316-L320 WeakPolarHBondContact O-CD1 3.43Å; H316-L320 PolarHBondContact O-N 3.42Å
317L98.7Very high97.6Very high0 Ų033 Ų330%021%0.206CC..Hα-helixtrans-61.3-40.4179.2-66.6179.2000111.9V255 A261 L283 T313 L320 L321 L326V255-L317 HydrophobicContact CG1-CD2 4.05Å; A261-L317 HydrophobicContact CB-CD2 3.51Å; L283-L317 HydrophobicContact CD2-CB 3.74Å; T313-L317 HydrophobicContact CG2-CD1 3.94Å; T313-L317 HydrophobicContact CG2-CG 4.17Å; T313-L317 WeakPolarHBondContact O-CG 3.4Å; T313-L317 PolarHBondContact O-N 3.22Å; L317-L320 PolarHBondContact O-N 2.59Å; L317-L321 VanDerWaalsContact O-CB 3.29Å; L317-L321 WeakPolarHBondContact O-CB 3.48Å; L317-L321 PolarHBondContact O-N 3.39Å; L317-L326 HydrophobicContact CD2-CD1 3.96Å
318T98.2Very high97.6Very high2 Ų233 Ų331%0.01221%0.206CC..Hα-helixtrans-66.9-34.4174.547.70000112.9L283 A314 D315 H316 L321 S322 K368 C369 K374L283-T318 HydrophobicContact CD2-CG2 3.76Å; A314-T318 WeakPolarHBondContact O-CB 3.32Å; A314-T318 WeakPolarHBondContact O-CG2 3.33Å; A314-T318 PolarHBondContact O-N 2.87Å; A314-T318 PolarHBondContact O-OG1 2.75Å; D315-T318 WeakPolarHBondContact CA-OG1 3.33Å; D315-T318 PolarHBondContact O-OG1 3.2Å; H316-T318 VanDerWaalsContact C-N 3.33Å; H316-T318 PolarHBondContact O-N 2.64Å; T318-L321 PolarHBondContact O-N 3Å; T318-S322 WeakPolarHBondContact O-CB 3.19Å; T318-S322 PolarHBondContact O-N 2.94Å; T318-S322 PolarHBondContact O-OG 2.78Å; T318-K368 HydrophobicContact CG2-CB 4.12Å; T318-C369 VanDerWaalsContact CG2-SG 3.51Å; T318-K374 PolarHBondContact OG1-NZ 3.35Å
319C98.2Very high97.7Very high60 Ų6032.2 Ų32.241%0.40520%0.202SC..Hα-helixtrans-65-44.8171.6-72.30000112.1D315 H316 L321 S322 S323D315-C319 PolarHBondContact O-N 2.87Å; D315-C319 PolarHBondContact O-SG 2.82Å; H316-C319 WeakPolarHBondContact O-CB 3.32Å; H316-C319 PolarHBondContact O-N 2.95Å; H316-C319 VanDerWaalsContact O-N 3.12Å; C319-L321 VanDerWaalsContact C-N 3.33Å; C319-L321 PolarHBondContact O-N 2.84Å; C319-S322 PolarHBondContact O-N 2.82Å; C319-S323 PolarHBondContact O-N 3.49Å; C319-S323 PolarHBondContact O-OG 3.4Å
320L98.6Very high97.7Very high16 Ų1629.6 Ų29.68%0.08418%0.184CC..Hα-helixtrans-69.9-29.2177.7-89.764.7000112.7A261 A265 H316 L317 S323 G324 D325 L326A261-L320 HydrophobicContact CB-CD2 3.56Å; A265-L320 HydrophobicContact CB-CD2 4.29Å; H316-L320 WeakPolarHBondContact O-CD1 3.43Å; H316-L320 PolarHBondContact O-N 3.42Å; L317-L320 PolarHBondContact O-N 2.59Å; L320-S323 PolarHBondContact O-OG 3.27Å; L320-G324 PolarHBondContact O-N 3.36Å; L320-D325 HydrophobicContact CB-CB 4.27Å; L320-D325 HydrophobicContact CG-CB 4.19Å; L320-D325 CarbonylContact O-C 3.51Å; L320-D325 WeakPolarHBondContact O-CA 3.4Å; L320-D325 PolarHBondContact O-N 2.83Å; L320-L326 HydrophobicContact CB-CD1 4.04Å; L320-L326 HydrophobicContact CB-CG 4.12Å; L320-L326 PolarHBondContact O-N 3.14Å
321L98.4Very high97.8Very high2 Ų226.8 Ų26.81%0.0117%0.169CC..Hα-helixtrans-67.8-45.6171-17565.2000111.5P278 L283 L317 T318 C319 G324 L326 T329 M375 V383P278-L321 HydrophobicContact CG-CD1 4.13Å; L283-L321 HydrophobicContact CD1-CD2 4.12Å; L317-L321 VanDerWaalsContact O-CB 3.29Å; L317-L321 WeakPolarHBondContact O-CB 3.48Å; L317-L321 PolarHBondContact O-N 3.39Å; T318-L321 PolarHBondContact O-N 3Å; C319-L321 VanDerWaalsContact C-N 3.33Å; C319-L321 PolarHBondContact O-N 2.84Å; L321-G324 PolarHBondContact O-N 3.01Å; L321-G324 VanDerWaalsContact O-N 3.09Å; L321-L326 HydrophobicContact CB-CB 4.37Å; L321-L326 HydrophobicContact CD1-CB 4.07Å; L321-T329 HydrophobicContact CD1-CG2 4.19Å; L321-T329 HydrophobicContact CD2-CG2 3.55Å; L321-M375 HydrophobicContact CD2-CE 4.18Å; L321-M375 HydrophobicContact CG-CE 4.16Å; L321-V383 HydrophobicContact CD1-CB 3.99Å; L321-V383 HydrophobicContact CD1-CG1 3.72Å; L321-V383 HydrophobicContact CD2-CG2 4.3Å; L321-V383 HydrophobicContact CG-CB 4.39Å; L321-V383 HydrophobicContact CG-CG1 4.04Å; L321-V383 HydrophobicContact CG-CG2 4.48Å
322S96.9Very high98Very high17 Ų1723 Ų2312%0.11915%0.145CC..Hα-helixtrans-68.9-37.5-179.6-48.60000111.8T318 C319 G324 K374T318-S322 WeakPolarHBondContact O-CB 3.19Å; T318-S322 PolarHBondContact O-N 2.94Å; T318-S322 PolarHBondContact O-OG 2.78Å; C319-S322 PolarHBondContact O-N 2.82Å; S322-G324 PolarHBondContact O-N 3.17Å; S322-K374 VanDerWaalsContact CB-O 3.28Å; S322-K374 WeakPolarHBondContact CB-O 3.46Å
323S96.6Very high98.1Very high78 Ų7819.7 Ų19.755%0.54513%0.125SC..THydrogen-bonded Turntrans-75.11.9172.172.20000114C319 L320 D325C319-S323 PolarHBondContact O-N 3.49Å; C319-S323 PolarHBondContact O-OG 3.4Å; L320-S323 PolarHBondContact O-OG 3.27Å; S323-D325 PolarHBondContact O-N 2.99Å
324G96.9Very high98Very high31 Ų3119.7 Ų19.732%0.3213%0.125SC..THydrogen-bonded Turntrans69.610.8-179.300000115K268 L320 L321 S322 L326 Q327K268-G324 PolarHBondContact NZ-O 3.18Å; L320-G324 PolarHBondContact O-N 3.36Å; L321-G324 PolarHBondContact O-N 3.01Å; L321-G324 VanDerWaalsContact O-N 3.09Å; S322-G324 PolarHBondContact O-N 3.17Å; G324-L326 VanDerWaalsContact C-N 3.32Å; G324-L326 CarbonylContact C-O 3.5Å; G324-L326 WeakPolarHBondContact CA-O 3.15Å; G324-Q327 PolarHBondContact O-NE2 2.81Å
325D98.2Very high98Very high22 Ų2219 Ų1912%0.11812%0.119CC..SBendtrans-71.3-27.2172.6-94.1-28.9000111.9A265 K268 R269 L320 S323 Q327A265-D325 HydrophobicContact CB-CB 3.88Å; A265-D325 WeakPolarHBondContact CB-OD2 3.43Å; K268-D325 WeakPolarHBondContact CD-O 3.48Å; R269-D325 IonicContact CZ-OD2 2.68Å; R269-D325 IonicContact NE-OD2 3.39Å; R269-D325 IonicContact NH2-OD2 2.85Å; R269-D325 PolarHBondContact NH2-OD2 3.04Å; L320-D325 HydrophobicContact CB-CB 4.27Å; L320-D325 HydrophobicContact CG-CB 4.19Å; L320-D325 CarbonylContact O-C 3.51Å; L320-D325 WeakPolarHBondContact O-CA 3.4Å; L320-D325 PolarHBondContact O-N 2.83Å; S323-D325 PolarHBondContact O-N 2.99Å; D325-Q327 PolarHBondContact O-NE2 3.3Å
326L98.7Very high98.1Very high0 Ų015 Ų150%010%0.097CC..SBendtrans-105.7157.7155.8-57.3170.3000109.1V255 A261 I264 P278 L317 L320 L321 G324V255-L326 HydrophobicContact CG1-CD2 4.29Å; V255-L326 HydrophobicContact CG2-CD2 4.3Å; A261-L326 HydrophobicContact CB-CD1 4.19Å; A261-L326 HydrophobicContact CB-CD2 4.45Å; I264-L326 HydrophobicContact CD1-CD2 4.07Å; I264-L326 HydrophobicContact CG2-CD2 4.44Å; P278-L326 HydrophobicContact CB-CD1 4.2Å; P278-L326 HydrophobicContact CG-CB 4.16Å; P278-L326 HydrophobicContact CG-CD1 3.84Å; L317-L326 HydrophobicContact CD2-CD1 3.96Å; L320-L326 HydrophobicContact CB-CD1 4.04Å; L320-L326 HydrophobicContact CB-CG 4.12Å; L320-L326 PolarHBondContact O-N 3.14Å; L321-L326 HydrophobicContact CB-CB 4.37Å; L321-L326 HydrophobicContact CD1-CB 4.07Å; G324-L326 VanDerWaalsContact C-N 3.32Å; G324-L326 CarbonylContact C-O 3.5Å; G324-L326 WeakPolarHBondContact CA-O 3.15Å
327Q98.1Very high98Very high13 Ų1314 Ų146%0.06110%0.095CC..  trans-130.5-26.1-166.6-63.976.250.500116.7F275 G276 G324 D325 N387F275-Q327 HydrophobicContact CD1-CG 4.2Å; G276-Q327 PolarHBondContact O-N 2.78Å; G276-Q327 VanDerWaalsContact O-N 3.13Å; G324-Q327 PolarHBondContact O-NE2 2.81Å; D325-Q327 PolarHBondContact O-NE2 3.3Å; Q327-N387 WeakPolarHBondContact O-CB 3.46Å; Q327-N387 PolarHBondContact O-ND2 3.22Å
328V97.8Very high98Very high1 Ų115.8 Ų15.81%0.00611%0.106CC..  trans-141.7141.5-170.7-173.20000109V72 E277 P278 V383 N387 A388 I391V72-V328 HydrophobicContact CB-CG1 4.32Å; V72-V328 HydrophobicContact CG1-CG1 3.79Å; V72-V328 HydrophobicContact CG2-CG1 3.58Å; E277-V328 WeakPolarHBondContact CA-O 3.16Å; P278-V328 WeakPolarHBondContact CD-O 3.24Å; V328-V383 WeakPolarHBondContact CA-O 3.48Å; V328-N387 HydrophobicContact CG2-CB 3.86Å; V328-A388 HydrophobicContact CG1-CB 3.95Å; V328-I391 HydrophobicContact CG2-CD1 3.65Å
329T98.4Very high98Very high0 Ų019.3 Ų19.30%014%0.135CC..  trans-106.7119.2171.9560000111.2P278 L283 L321 R361 V365 V383P278-T329 HydrophobicContact CG-CG2 4.49Å; P278-T329 WeakPolarHBondContact O-CA 3.34Å; L283-T329 HydrophobicContact CD1-CG2 3.74Å; L321-T329 HydrophobicContact CD1-CG2 4.19Å; L321-T329 HydrophobicContact CD2-CG2 3.55Å; T329-R361 WeakPolarHBondContact O-CD 3.35Å; T329-R361 PolarHBondContact O-NH1 2.78Å; T329-V365 HydrophobicContact CG2-CG1 4.49Å; T329-V365 HydrophobicContact CG2-CG2 3.87Å; T329-V383 HydrophobicContact CG2-CG2 4.49Å; T329-V383 PolarHBondContact N-O 3.42Å; T329-V383 PolarHBondContact OG1-O 2.56Å
330G98.4Very high98Very high0 Ų018.1 Ų18.10%012%0.124CC..BIsolated β-bridgetrans-99-178.9164.600000111.7D71 E277 P278 I279 T280D71-G330 VanDerWaalsContact OD1-CA 3.25Å; D71-G330 WeakPolarHBondContact OD1-CA 3.35Å; E277-G330 WeakPolarHBondContact OE1-CA 3.28Å; P278-G330 PolarHBondContact O-N 3.18Å; I279-G330 CarbonylContact C-O 3.5Å; I279-G330 VanDerWaalsContact CA-O 3.25Å; I279-G330 WeakPolarHBondContact CA-O 3.16Å; T280-G330 PolarHBondContact N-O 2.61Å; T280-G330 PolarHBondContact OG1-O 3.18Å
331S98.4Very high98Very high0 Ų017.8 Ų17.80%012%0.121CC..  trans-103.9-25.2168.258.80000114.1D71 H73 H333 G357D71-S331 PolarHBondContact OD1-N 2.8Å; D71-S331 PolarHBondContact OD1-OG 2.82Å; D71-S331 WeakPolarHBondContact OD2-CB 3.33Å; D71-S331 PolarHBondContact OD2-N 2.8Å; D71-S331 PolarHBondContact OD2-OG 3.45Å; H73-S331 PolarHBondContact O-OG 2.88Å; S331-H333 PolarHBondContact O-N 2.99Å; S331-H333 VanDerWaalsContact OG-CB 3.27Å; S331-H333 WeakPolarHBondContact OG-CB 3.36Å; S331-H333 PolarHBondContact OG-N 2.86Å; S331-G357 VanDerWaalsContact CB-C 3.45Å; S331-G357 WeakPolarHBondContact CB-O 3.46Å
332A97.8Very high98Very high4 Ų419.3 Ų19.33%0.03314%0.135CC..  trans50.134.3-162.300000113H73 K254 I279 C334H73-A332 WeakPolarHBondContact O-CA 3.38Å; H73-A332 PolarHBondContact O-N 3.25Å; K254-A332 HydrophobicContact CD-CB 3.82Å; K254-A332 HydrophobicContact CG-CB 3.82Å; I279-A332 HydrophobicContact CB-CB 4.46Å; I279-A332 HydrophobicContact CD1-CB 3.79Å; I279-A332 HydrophobicContact CG2-CB 3.95Å; A332-C334 PolarHBondContact O-N 3.11Å; A332-C334 VanDerWaalsContact O-N 3.13Å
333H98.7Very high98Very high0 Ų022.3 Ų22.30%015%0.152CC..BIsolated β-bridgetrans-60.9116.3-172.6-171.689.4000111.9H73 R75 D87 S331 T335 N356 G357 I358H73-H333 PolarHBondContact O-N 3.05Å; R75-H333 PolarHBondContact N-O 3.16Å; D87-H333 IonicContact OD2-NE2 2.74Å; S331-H333 PolarHBondContact O-N 2.99Å; S331-H333 VanDerWaalsContact OG-CB 3.27Å; S331-H333 WeakPolarHBondContact OG-CB 3.36Å; S331-H333 PolarHBondContact OG-N 2.86Å; H333-T335 WeakPolarHBondContact CE1-CG2 3.38Å; H333-T335 WeakPolarHBondContact NE2-CG2 3.45Å; H333-N356 WeakPolarHBondContact ND1-CA 3.36Å; H333-G357 PolarHBondContact ND1-N 2.79Å; H333-I358 HydrophobicContact CB-CB 3.84Å; H333-I358 HydrophobicContact CB-CD1 4.45Å; H333-I358 HydrophobicContact CB-CG2 4.48Å; H333-I358 VanDerWaalsContact CE1-CG2 3.48Å; H333-I358 WeakPolarHBondContact CE1-CG2 3.3Å; H333-I358 WeakPolarHBondContact ND1-CG2 3.4Å; H333-I358 PolarHBondContact ND1-N 2.96Å
334C97.8Very high98.1Very high4 Ų418.6 Ų18.63%0.02713%0.126CC..  trans-151.490.3-179.5-164.80000107.5R75 A332 G354 T355R75-C334 HydrophobicContact CB-CB 3.86Å; A332-C334 PolarHBondContact O-N 3.11Å; A332-C334 VanDerWaalsContact O-N 3.13Å; C334-G354 CarbonylContact O-C 3.58Å; C334-G354 WeakPolarHBondContact O-CA 3.42Å; C334-T355 PolarHBondContact N-O 3.39Å; C334-T355 VanDerWaalsContact N-O 3.08Å; C334-T355 PolarHBondContact O-N 2.6Å; C334-T355 VanDerWaalsContact O-N 3.11Å
335T97.7Very high98.1Very high2 Ų222.4 Ų22.41%0.01213%0.134CC..  trans-95.1143.9-168.346.20000112.5P85 A86 D87 H333 N356 V429P85-T335 CarbonylContact C-O 3.53Å; P85-T335 WeakPolarHBondContact CA-O 3.29Å; A86-T335 PolarHBondContact N-O 3.02Å; D87-T335 WeakPolarHBondContact CB-OG1 3.46Å; D87-T335 PolarHBondContact N-OG1 3.17Å; D87-T335 VanDerWaalsContact OD2-CB 3.29Å; D87-T335 WeakPolarHBondContact OD2-CB 3.2Å; D87-T335 WeakPolarHBondContact OD2-CG2 3.37Å; D87-T335 PolarHBondContact OD2-OG1 3.42Å; H333-T335 WeakPolarHBondContact CE1-CG2 3.38Å; H333-T335 WeakPolarHBondContact NE2-CG2 3.45Å; T335-N356 HydrophobicContact CG2-CB 3.86Å; T335-V429 HydrophobicContact CG2-CG1 4.29Å; T335-V429 HydrophobicContact CG2-CG2 4.12Å
336F98.3Very high98.1Very high10 Ų1026.4 Ų26.44%0.04416%0.155CC..  trans-135.9136.6173.1-65.1-80.8000108.6V80 M83 Q340 K341 P352 E353 V429V80-F336 HydrophobicContact CB-CE1 4.11Å; V80-F336 HydrophobicContact CB-CE2 4.43Å; V80-F336 HydrophobicContact CB-CZ 3.64Å; V80-F336 HydrophobicContact CG1-CZ 4.46Å; V80-F336 HydrophobicContact CG2-CE1 4.46Å; V80-F336 HydrophobicContact CG2-CE2 4.19Å; V80-F336 HydrophobicContact CG2-CZ 3.56Å; M83-F336 HydrophobicContact CB-CE1 4.39Å; F336-Q340 HydrophobicContact CB-CB 3.95Å; F336-Q340 HydrophobicContact CD1-CB 4.27Å; F336-K341 HydrophobicContact CB-CD 4.35Å; F336-K341 HydrophobicContact CB-CG 4.2Å; F336-P352 HydrophobicContact CB-CG 4.03Å; F336-P352 HydrophobicContact CD1-CB 3.9Å; F336-P352 HydrophobicContact CD1-CG 4.04Å; F336-P352 HydrophobicContact CD2-CB 3.78Å; F336-P352 HydrophobicContact CD2-CG 4.19Å; F336-P352 HydrophobicContact CE1-CB 4.04Å; F336-P352 HydrophobicContact CE2-CB 3.92Å; F336-P352 HydrophobicContact CG-CB 3.78Å; F336-P352 HydrophobicContact CG-CG 3.8Å; F336-P352 HydrophobicContact CZ-CB 4.06Å; F336-E353 WeakPolarHBondContact CE2-O 3.4Å; F336-V429 WeakPolarHBondContact O-CG1 3.24Å
337T98.1Very high98.1Very high31 Ų3128.3 Ų28.319%0.1917%0.165CC..  trans-63.9162.6177.166.70000111.1A86 A339 Q340 K341A86-T337 HydrophobicContact CB-CG2 3.86Å; T337-A339 PolarHBondContact O-N 3.27Å; T337-Q340 PolarHBondContact O-N 2.86Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.36Å; T337-Q340 PolarHBondContact OG1-N 2.94Å; T337-Q340 PolarHBondContact OG1-OE1 3.42Å; T337-K341 PolarHBondContact O-N 3.19Å
338T97.9Very high98.1Very high39 Ų3927.7 Ų27.724%0.23916%0.162CC..Hα-helixtrans-55-36.2175.7-56.80000111.6A296 A342 E430 Y431A296-T338 HydrophobicContact CB-CG2 3.68Å; T338-A342 VanDerWaalsContact O-CB 3.29Å; T338-A342 WeakPolarHBondContact O-CB 3.4Å; T338-A342 PolarHBondContact O-N 3.23Å; T338-E430 WeakPolarHBondContact CB-OE2 3.36Å; T338-E430 PolarHBondContact N-OE2 3.36Å; T338-E430 PolarHBondContact OG1-OE2 3.01Å; T338-Y431 HydrophobicContact CG2-CE2 4.48Å; T338-Y431 WeakPolarHBondContact OG1-CD2 3.38Å
339A97.9Very high98.1Very high75 Ų7529.7 Ų29.762%0.6218%0.175SC*.Hα-helixtrans-69.1-39176.400000113.1T337 A342T337-A339 PolarHBondContact O-N 3.27Å; A339-A342 PolarHBondContact O-N 2.93Å
340Q98.1Very high98.1Very high36 Ų3633.2 Ų33.217%0.16819%0.193CC..Hα-helixtrans-68.6-43174.4-70.5173.7-53.800111.5M83 T84 F336 T337 A342 V343 P352M83-Q340 HydrophobicContact SD-CB 3.73Å; M83-Q340 HydrophobicContact SD-CG 3.85Å; T84-Q340 PolarHBondContact O-NE2 3.38Å; F336-Q340 HydrophobicContact CB-CB 3.95Å; F336-Q340 HydrophobicContact CD1-CB 4.27Å; T337-Q340 PolarHBondContact O-N 2.86Å; T337-Q340 WeakPolarHBondContact OG1-CG 3.36Å; T337-Q340 PolarHBondContact OG1-N 2.94Å; T337-Q340 PolarHBondContact OG1-OE1 3.42Å; Q340-A342 VanDerWaalsContact C-N 3.26Å; Q340-A342 PolarHBondContact O-N 3.16Å; Q340-V343 WeakPolarHBondContact O-CB 3.42Å; Q340-V343 WeakPolarHBondContact O-CG2 3.36Å; Q340-V343 PolarHBondContact O-N 2.73Å; Q340-P352 WeakPolarHBondContact O-CD 3.31Å; Q340-P352 WeakPolarHBondContact O-CG 3.46Å
341K98.4Very high98.1Very high8 Ų833.4 Ų33.44%0.03519%0.194CC..Hα-helixtrans-56-42.5172.5-71.3-73.8-171175.10111W295 A299 V302 F336 T337 V343 G344 I351 P352 G354W295-K341 HydrophobicContact CH2-CB 4.31Å; W295-K341 WeakPolarHBondContact CH2-O 3.45Å; A299-K341 HydrophobicContact CB-CB 4.25Å; A299-K341 WeakPolarHBondContact O-CD 3.48Å; A299-K341 WeakPolarHBondContact O-CE 3.46Å; A299-K341 PolarHBondContact O-NZ 3.14Å; V302-K341 PolarHBondContact O-NZ 3.38Å; F336-K341 HydrophobicContact CB-CD 4.35Å; F336-K341 HydrophobicContact CB-CG 4.2Å; T337-K341 PolarHBondContact O-N 3.19Å; K341-V343 PolarHBondContact O-N 3.07Å; K341-G344 PolarHBondContact O-N 3.31Å; K341-G344 VanDerWaalsContact O-N 3.13Å; K341-I351 HydrophobicContact CB-CG2 4.41Å; K341-I351 HydrophobicContact CD-CG2 3.51Å; K341-P352 HydrophobicContact CD-CG 4.27Å; K341-P352 WeakPolarHBondContact CE-O 3.41Å; K341-P352 PolarHBondContact NZ-O 3.36Å; K341-G354 PolarHBondContact NZ-O 3.32Å
342A98.1Very high98.1Very high35 Ų3533.5 Ų33.529%0.28919%0.194SC..G310 helixtrans-63.3-6.7-177.500000115.9W295 T338 A339 Q340 G344 K345W295-A342 HydrophobicContact CH2-CB 4.34Å; W295-A342 HydrophobicContact CZ3-CB 4.13Å; T338-A342 VanDerWaalsContact O-CB 3.29Å; T338-A342 WeakPolarHBondContact O-CB 3.4Å; T338-A342 PolarHBondContact O-N 3.23Å; A339-A342 PolarHBondContact O-N 2.93Å; Q340-A342 VanDerWaalsContact C-N 3.26Å; Q340-A342 PolarHBondContact O-N 3.16Å; A342-G344 PolarHBondContact O-N 3.47Å; A342-K345 WeakPolarHBondContact O-CB 3.29Å; A342-K345 WeakPolarHBondContact O-CG 3.45Å; A342-K345 PolarHBondContact O-N 2.91Å; A342-K345 VanDerWaalsContact O-N 3.13Å
343V97.9Very high98Very high80 Ų8035.1 Ų35.149%0.48520%0.201SC..G310 helixtrans-54.9-36.8166.5172.80000111.2M83 Q340 K341 L350M83-V343 HydrophobicContact CE-CB 4.32Å; M83-V343 HydrophobicContact CE-CG2 4.01Å; M83-V343 HydrophobicContact SD-CG2 3.87Å; Q340-V343 WeakPolarHBondContact O-CB 3.42Å; Q340-V343 WeakPolarHBondContact O-CG2 3.36Å; Q340-V343 PolarHBondContact O-N 2.73Å; K341-V343 PolarHBondContact O-N 3.07Å; V343-L350 HydrophobicContact CG1-CB 4.49Å
344G97.9Very high97.9Very high0 Ų035.2 Ų35.20%020%0.203CC..G310 helixtrans-94.123.3176.200000115.7K341 A342 D346 N347 L350K341-G344 PolarHBondContact O-N 3.31Å; K341-G344 VanDerWaalsContact O-N 3.13Å; A342-G344 PolarHBondContact O-N 3.47Å; G344-D346 PolarHBondContact O-N 3.28Å; G344-N347 CarbonylContact C-O 3.57Å; G344-N347 WeakPolarHBondContact CA-O 3.48Å; G344-N347 CarbonylContact O-C 3.2Å; G344-N347 PolarHBondContact O-N 3.15Å; G344-N347 VanDerWaalsContact O-N 3.12Å; G344-N347 VanDerWaalsContact O-O 3.05Å; G344-L350 PolarHBondContact N-O 2.9Å
345K98Very high97.9Very high110 Ų11035.2 Ų35.248%0.47820%0.203SC..THydrogen-bonded Turntrans-58.6-29.9-176.368.6173.1-167.270.60115W295 A342W295-K345 HydrophobicContact CH2-CB 4.47Å; W295-K345 VanDerWaalsContact CZ2-CA 3.48Å; W295-K345 HydrophobicContact CZ2-CB 4.11Å; A342-K345 WeakPolarHBondContact O-CB 3.29Å; A342-K345 WeakPolarHBondContact O-CG 3.45Å; A342-K345 PolarHBondContact O-N 2.91Å; A342-K345 VanDerWaalsContact O-N 3.13Å
346D98Very high97.9Very high106 Ų10635.4 Ų35.457%0.56720%0.203SC*.THydrogen-bonded Turntrans-110.54.6179.1-48.7-39.3000112.2T218 G344T218-D346 VanDerWaalsContact CB-O 3.31Å; T218-D346 WeakPolarHBondContact CB-O 3.03Å; T218-D346 WeakPolarHBondContact CG2-O 3.38Å; G344-D346 PolarHBondContact O-N 3.28Å
347N98.4Very high98Very high40 Ų4034.9 Ų34.921%0.21420%0.201CC..  trans-162.6106.5179.5176.9-2000109.9L213 G344 T349 L350L213-N347 WeakPolarHBondContact CD2-OD1 3.44Å; G344-N347 CarbonylContact C-O 3.57Å; G344-N347 WeakPolarHBondContact CA-O 3.48Å; G344-N347 CarbonylContact O-C 3.2Å; G344-N347 PolarHBondContact O-N 3.15Å; G344-N347 VanDerWaalsContact O-N 3.12Å; G344-N347 VanDerWaalsContact O-O 3.05Å; N347-T349 VanDerWaalsContact CG-OG1 3.26Å; N347-T349 PolarHBondContact ND2-OG1 2.92Å; N347-T349 PolarHBondContact O-N 3.02Å; N347-T349 VanDerWaalsContact O-N 3.15Å; N347-T349 PolarHBondContact OD1-N 3.14Å; N347-T349 PolarHBondContact OD1-OG1 2.96Å; N347-L350 HydrophobicContact CB-CD1 4.27Å; N347-L350 HydrophobicContact CB-CG 4.41Å; N347-L350 PolarHBondContact O-N 3.12Å
348F98.5Very high98Very high1 Ų133.4 Ų33.40%0.00419%0.192CC..G310 helixtrans-57.2-30.3-176.871.5-94.3000114.5Q209 L212 L213 I217 T218 G219 G222 H223 S226 L350 I351Q209-F348 HydrophobicContact CB-CZ 4.48Å; Q209-F348 HydrophobicContact CG-CE2 4Å; Q209-F348 HydrophobicContact CG-CZ 4.27Å; L212-F348 HydrophobicContact CB-CE1 4.24Å; L212-F348 HydrophobicContact CB-CZ 4.31Å; L212-F348 HydrophobicContact CD1-CZ 4.42Å; L213-F348 HydrophobicContact CD2-CD1 3.98Å; L213-F348 HydrophobicContact CD2-CE1 3.75Å; L213-F348 HydrophobicContact CG-CE1 3.95Å; L213-F348 HydrophobicContact CG-CZ 4.49Å; I217-F348 WeakPolarHBondContact O-CE1 3.39Å; T218-F348 PolarHBondContact O-N 3.22Å; G219-F348 WeakPolarHBondContact O-CB 3.25Å; G222-F348 VanDerWaalsContact C-CE2 3.42Å; G222-F348 VanDerWaalsContact O-CE2 3.32Å; G222-F348 WeakPolarHBondContact O-CE2 3.22Å; G222-F348 WeakPolarHBondContact O-CZ 3.35Å; H223-F348 VanDerWaalsContact CA-CD2 3.5Å; H223-F348 HydrophobicContact CB-CD2 3.83Å; H223-F348 HydrophobicContact CB-CE2 4.46Å; H223-F348 VanDerWaalsContact N-CD2 3.35Å; S226-F348 WeakPolarHBondContact OG-CE2 3.42Å; F348-L350 PolarHBondContact O-N 2.75Å; F348-L350 VanDerWaalsContact O-N 3.11Å; F348-I351 HydrophobicContact CB-CD1 4.13Å; F348-I351 WeakPolarHBondContact O-CB 3.38Å; F348-I351 WeakPolarHBondContact O-CG1 3.43Å; F348-I351 PolarHBondContact O-N 3.36Å
349T97.8Very high98Very high43 Ų4332.6 Ų32.626%0.26419%0.186SC..G310 helixtrans-66.3-11.517866.10000113.9Q209 L213 N347Q209-T349 HydrophobicContact CB-CG2 3.99Å; Q209-T349 HydrophobicContact CG-CG2 3.97Å; L213-T349 HydrophobicContact CD1-CG2 4Å; N347-T349 VanDerWaalsContact CG-OG1 3.26Å; N347-T349 PolarHBondContact ND2-OG1 2.92Å; N347-T349 PolarHBondContact O-N 3.02Å; N347-T349 VanDerWaalsContact O-N 3.15Å; N347-T349 PolarHBondContact OD1-N 3.14Å; N347-T349 PolarHBondContact OD1-OG1 2.96Å
350L97.9Very high98Very high74 Ų7429.3 Ų29.339%0.38716%0.158SC..G310 helixtrans-102.82.4174.7-58.4179.1000112.9L81 V343 G344 N347 F348 P352L81-L350 HydrophobicContact CD1-CD2 4.43Å; L81-L350 WeakPolarHBondContact CD1-O 3.43Å; V343-L350 HydrophobicContact CG1-CB 4.49Å; G344-L350 PolarHBondContact N-O 2.9Å; N347-L350 HydrophobicContact CB-CD1 4.27Å; N347-L350 HydrophobicContact CB-CG 4.41Å; N347-L350 PolarHBondContact O-N 3.12Å; F348-L350 PolarHBondContact O-N 2.75Å; F348-L350 VanDerWaalsContact O-N 3.11Å; L350-P352 WeakPolarHBondContact O-CD 3.36Å
351I98.5Very high98.1Very high4 Ų427.6 Ų27.62%0.02115%0.15CC..SBendtrans-74.8120.9170.5-59173.5000107.3P220 W295 A299 V302 K341 F348 E353P220-I351 HydrophobicContact CB-CD1 4.3Å; P220-I351 HydrophobicContact CG-CD1 3.95Å; W295-I351 HydrophobicContact CH2-CD1 4.49Å; W295-I351 HydrophobicContact CZ2-CD1 3.78Å; W295-I351 HydrophobicContact CZ2-CG1 4.11Å; A299-I351 HydrophobicContact CB-CD1 4.25Å; A299-I351 HydrophobicContact CB-CG2 4.4Å; V302-I351 HydrophobicContact CB-CG2 3.84Å; V302-I351 HydrophobicContact CG1-CB 4.11Å; V302-I351 HydrophobicContact CG1-CG2 3.85Å; V302-I351 HydrophobicContact CG2-CD1 4.13Å; V302-I351 HydrophobicContact CG2-CG2 4.12Å; K341-I351 HydrophobicContact CB-CG2 4.41Å; K341-I351 HydrophobicContact CD-CG2 3.51Å; F348-I351 HydrophobicContact CB-CD1 4.13Å; F348-I351 WeakPolarHBondContact O-CB 3.38Å; F348-I351 WeakPolarHBondContact O-CG1 3.43Å; F348-I351 PolarHBondContact O-N 3.36Å; I351-E353 PolarHBondContact O-N 2.89Å
352P97.6Very high98.1Very high1 Ų127.3 Ų27.31%0.00615%0.148CC..PPolyproline II helixtrans-60.5123.817624.3-35.4000111.1V80 M83 F336 Q340 K341 L350V80-P352 HydrophobicContact CB-CB 4.21Å; V80-P352 HydrophobicContact CG1-CB 3.64Å; M83-P352 HydrophobicContact CE-CB 3.94Å; M83-P352 HydrophobicContact CE-CG 3.68Å; F336-P352 HydrophobicContact CB-CG 4.03Å; F336-P352 HydrophobicContact CD1-CB 3.9Å; F336-P352 HydrophobicContact CD1-CG 4.04Å; F336-P352 HydrophobicContact CD2-CB 3.78Å; F336-P352 HydrophobicContact CD2-CG 4.19Å; F336-P352 HydrophobicContact CE1-CB 4.04Å; F336-P352 HydrophobicContact CE2-CB 3.92Å; F336-P352 HydrophobicContact CG-CB 3.78Å; F336-P352 HydrophobicContact CG-CG 3.8Å; F336-P352 HydrophobicContact CZ-CB 4.06Å; Q340-P352 WeakPolarHBondContact O-CD 3.31Å; Q340-P352 WeakPolarHBondContact O-CG 3.46Å; K341-P352 HydrophobicContact CD-CG 4.27Å; K341-P352 WeakPolarHBondContact CE-O 3.41Å; K341-P352 PolarHBondContact NZ-O 3.36Å; L350-P352 WeakPolarHBondContact O-CD 3.36Å
353E96.6Very high98.1Very high38 Ų3826.1 Ų26.118%0.17814%0.138CC..PPolyproline II helixtrans-72.4130.7-177.6-62.2178170.500111.8Y170 H223 S304 F336 I351Y170-E353 WeakPolarHBondContact CE1-OE2 3.29Å; Y170-E353 VanDerWaalsContact CZ-OE2 3.3Å; Y170-E353 PolarHBondContact OH-OE2 3.36Å; H223-E353 IonicContact CE1-OE1 2.62Å; S304-E353 VanDerWaalsContact CB-OE2 3.31Å; S304-E353 WeakPolarHBondContact CB-OE2 3.32Å; S304-E353 PolarHBondContact OG-OE1 3.02Å; S304-E353 PolarHBondContact OG-OE2 2.96Å; F336-E353 WeakPolarHBondContact CE2-O 3.4Å; I351-E353 PolarHBondContact O-N 2.89Å
354G96.6Very high98.1Very high3 Ų322.3 Ų22.33%0.03112%0.115CC..  trans146.3155.9174.600000113.8V302 C334 K341V302-G354 PolarHBondContact O-N 3.39Å; C334-G354 CarbonylContact O-C 3.58Å; C334-G354 WeakPolarHBondContact O-CA 3.42Å; K341-G354 PolarHBondContact NZ-O 3.32Å
355T97.9Very high98.2Very high4 Ų422.3 Ų22.33%0.02512%0.115CC..BIsolated β-bridgetrans-135.7167-175.753.60000111.8T303 C334 I433T303-T355 HydrophobicContact CG2-CG2 4.08Å; C334-T355 PolarHBondContact N-O 3.39Å; C334-T355 VanDerWaalsContact N-O 3.08Å; C334-T355 PolarHBondContact O-N 2.6Å; C334-T355 VanDerWaalsContact O-N 3.11Å; T355-I433 HydrophobicContact CG2-CD1 4.02Å; T355-I433 HydrophobicContact CG2-CG2 4.12Å
356N98.5Very high98.2Very high5 Ų517.6 Ų17.63%0.0279%0.094CC..  trans-76.7176.5165.573.1-75.5000112.4H333 T335 E360 L427 N432 I433H333-N356 WeakPolarHBondContact ND1-CA 3.36Å; T335-N356 HydrophobicContact CG2-CB 3.86Å; N356-E360 VanDerWaalsContact ND2-CD 3.28Å; N356-E360 PolarHBondContact ND2-OE1 3.33Å; N356-E360 PolarHBondContact ND2-OE2 2.77Å; N356-L427 HydrophobicContact CB-CD1 3.52Å; N356-N432 PolarHBondContact ND2-ND2 3.29Å; N356-N432 PolarHBondContact ND2-OD1 3.32Å; N356-N432 WeakPolarHBondContact OD1-CA 3.17Å; N356-I433 PolarHBondContact OD1-N 2.86Å
357G98.3Very high98.2Very high0 Ų014.1 Ų14.10%07%0.074CC..  trans151.4-5.2178.800000117.1T280 S331 H333 E360 R361T280-G357 PolarHBondContact OG1-O 2.79Å; S331-G357 VanDerWaalsContact CB-C 3.45Å; S331-G357 WeakPolarHBondContact CB-O 3.46Å; H333-G357 PolarHBondContact ND1-N 2.79Å; G357-E360 WeakPolarHBondContact CA-OE2 3.41Å; G357-E360 PolarHBondContact N-OE2 3.33Å; G357-R361 WeakPolarHBondContact O-CB 3.28Å; G357-R361 PolarHBondContact O-N 3.46Å
358I98.7Very high98.1Very high0 Ų015.6 Ų15.60%08%0.079CC..THydrogen-bonded Turntrans-76.1-35.8-172.4-163.3169.3000113.3T74 A95 A96 I104 H333 E360 L427T74-I358 HydrophobicContact CG2-CD1 3.67Å; T74-I358 HydrophobicContact CG2-CG1 4.41Å; A95-I358 HydrophobicContact CB-CG2 3.85Å; A96-I358 HydrophobicContact CB-CD1 3.92Å; A96-I358 HydrophobicContact CB-CG1 3.79Å; I104-I358 HydrophobicContact CG2-CD1 4.08Å; H333-I358 HydrophobicContact CB-CB 3.84Å; H333-I358 HydrophobicContact CB-CD1 4.45Å; H333-I358 HydrophobicContact CB-CG2 4.48Å; H333-I358 VanDerWaalsContact CE1-CG2 3.48Å; H333-I358 WeakPolarHBondContact CE1-CG2 3.3Å; H333-I358 WeakPolarHBondContact ND1-CG2 3.4Å; H333-I358 PolarHBondContact ND1-N 2.96Å; I358-E360 PolarHBondContact N-OE2 2.79Å; I358-L427 HydrophobicContact CG2-CD2 4.07Å
359E98.7Very high98.1Very high21 Ų2115.6 Ų15.610%0.0988%0.079CC..THydrogen-bonded Turntrans-81.9-34.2175.2-178.8171.4-174.400110.7A95 A98 G99 N426A95-E359 HydrophobicContact CB-CB 4.21Å; A95-E359 WeakPolarHBondContact O-CA 3.43Å; A95-E359 WeakPolarHBondContact O-CB 3.28Å; A98-E359 HydrophobicContact CB-CG 4.2Å; G99-E359 WeakPolarHBondContact CA-O 3.36Å; E359-N426 PolarHBondContact OE1-ND2 3.19Å; E359-N426 WeakPolarHBondContact OE2-CA 3.33Å; E359-N426 WeakPolarHBondContact OE2-CB 3.35Å; E359-N426 PolarHBondContact OE2-N 2.81Å
360E98.6Very high98.1Very high7 Ų714.6 Ų14.63%0.0337%0.073CC..THydrogen-bonded Turntrans-80.8-24.8-174.4-57.384.6174.700112.9T280 N356 G357 I358 M362 S363 V364 I420 N432 F434T280-E360 HydrophobicContact CG2-CB 4.24Å; N356-E360 VanDerWaalsContact ND2-CD 3.28Å; N356-E360 PolarHBondContact ND2-OE1 3.33Å; N356-E360 PolarHBondContact ND2-OE2 2.77Å; G357-E360 WeakPolarHBondContact CA-OE2 3.41Å; G357-E360 PolarHBondContact N-OE2 3.33Å; I358-E360 PolarHBondContact N-OE2 2.79Å; E360-M362 PolarHBondContact O-N 2.81Å; E360-S363 PolarHBondContact O-N 2.98Å; E360-S363 VanDerWaalsContact O-N 3.09Å; E360-V364 HydrophobicContact CB-CG2 3.99Å; E360-V364 WeakPolarHBondContact O-CB 3.49Å; E360-V364 WeakPolarHBondContact O-CG2 3.48Å; E360-V364 PolarHBondContact O-N 3.14Å; E360-I420 HydrophobicContact CB-CD1 4.16Å; E360-I420 HydrophobicContact CG-CD1 4.01Å; E360-I420 HydrophobicContact CG-CG2 4.02Å; E360-N432 PolarHBondContact OE1-ND2 3.21Å; E360-F434 HydrophobicContact CB-CD2 3.92Å; E360-F434 HydrophobicContact CB-CE2 4.16Å; E360-F434 HydrophobicContact CG-CD2 3.82Å; E360-F434 HydrophobicContact CG-CE2 4.38Å
361R98.8Very high98.1Very high0 Ų012.2 Ų12.20%06%0.064CC..Hα-helixtrans-43.6-55.7-169.7-168.5176.96595.210.4114.3V70 D71 T101 T280 T329 G357 V365 T384V70-R361 PolarHBondContact O-NH1 2.76Å; V70-R361 PolarHBondContact O-NH2 3.5Å; D71-R361 IonicContact OD2-NE 2.88Å; T101-R361 PolarHBondContact OG1-NH2 3.07Å; T280-R361 HydrophobicContact CG2-CB 4.5Å; T280-R361 WeakPolarHBondContact OG1-CB 3.35Å; T280-R361 WeakPolarHBondContact OG1-CG 3.46Å; T329-R361 WeakPolarHBondContact O-CD 3.35Å; T329-R361 PolarHBondContact O-NH1 2.78Å; G357-R361 WeakPolarHBondContact O-CB 3.28Å; G357-R361 PolarHBondContact O-N 3.46Å; R361-V365 WeakPolarHBondContact O-CB 3.34Å; R361-V365 WeakPolarHBondContact O-CG2 3.36Å; R361-V365 PolarHBondContact O-N 3.11Å; R361-T384 PolarHBondContact NH1-O 2.8Å; R361-T384 VanDerWaalsContact NH1-O 3.15Å
362M98.7Very high97.9Very high1 Ų115 Ų151%0.0058%0.084CC..Hα-helixtrans-67.9-41.5-175.4-68-166.670.900112.1G100 E360 W366 F380 W412G100-M362 VanDerWaalsContact O-SD 3.32Å; E360-M362 PolarHBondContact O-N 2.81Å; M362-W366 VanDerWaalsContact O-CB 3.26Å; M362-W366 WeakPolarHBondContact O-CB 3.43Å; M362-W366 PolarHBondContact O-N 2.96Å; M362-F380 HydrophobicContact CB-CZ 4.18Å; M362-F380 HydrophobicContact CE-CE1 3.73Å; M362-F380 HydrophobicContact CE-CZ 3.78Å; M362-F380 WeakPolarHBondContact O-CE2 3.35Å; M362-W412 HydrophobicContact CB-CH2 3.98Å; M362-W412 HydrophobicContact CB-CZ3 4Å
363S98.4Very high97.9Very high10 Ų1018.1 Ų18.17%0.0712%0.116CC..Hα-helixtrans-68.9-39.2179.3-48.40000112E360 W366 E367E360-S363 PolarHBondContact O-N 2.98Å; E360-S363 VanDerWaalsContact O-N 3.09Å; S363-W366 PolarHBondContact O-N 3.04Å; S363-E367 VanDerWaalsContact O-CB 3.32Å; S363-E367 WeakPolarHBondContact O-CB 3.49Å; S363-E367 PolarHBondContact O-N 2.99Å
364V98.4Very high97.9Very high1 Ų119.3 Ų19.31%0.00612%0.121CC..Hα-helixtrans-66.1-47.7175.8167.90000111T280 G284 E360 W366 E367 K368 I420 F434T280-V364 HydrophobicContact CG2-CB 3.9Å; T280-V364 HydrophobicContact CG2-CG1 3.99Å; T280-V364 HydrophobicContact CG2-CG2 3.97Å; G284-V364 VanDerWaalsContact CA-CG1 3.45Å; E360-V364 HydrophobicContact CB-CG2 3.99Å; E360-V364 WeakPolarHBondContact O-CB 3.49Å; E360-V364 WeakPolarHBondContact O-CG2 3.48Å; E360-V364 PolarHBondContact O-N 3.14Å; V364-W366 VanDerWaalsContact C-N 3.32Å; V364-W366 PolarHBondContact O-N 3.33Å; V364-E367 PolarHBondContact O-N 3.47Å; V364-K368 HydrophobicContact CG1-CG 4.25Å; V364-K368 VanDerWaalsContact O-CB 3.28Å; V364-K368 WeakPolarHBondContact O-CB 3.4Å; V364-K368 WeakPolarHBondContact O-CG 3.46Å; V364-K368 PolarHBondContact O-N 3.09Å; V364-I420 HydrophobicContact CG2-CD1 4.02Å; V364-F434 HydrophobicContact CG2-CD1 4.47Å; V364-F434 HydrophobicContact CG2-CG 4.5Å
365V98.5Very high98Very high0 Ų019.6 Ų19.60%012%0.121CC..Hα-helixtrans-64.2-39.6177.7175.80000110.7L283 T329 R361 C369 F380 V383 T384L283-V365 HydrophobicContact CD1-CG2 4.05Å; T329-V365 HydrophobicContact CG2-CG1 4.49Å; T329-V365 HydrophobicContact CG2-CG2 3.87Å; R361-V365 WeakPolarHBondContact O-CB 3.34Å; R361-V365 WeakPolarHBondContact O-CG2 3.36Å; R361-V365 PolarHBondContact O-N 3.11Å; V365-C369 WeakPolarHBondContact O-CB 3.36Å; V365-C369 PolarHBondContact O-N 3.44Å; V365-C369 PolarHBondContact O-SG 2.66Å; V365-F380 HydrophobicContact CB-CE2 4.1Å; V365-F380 HydrophobicContact CG1-CD2 3.91Å; V365-F380 HydrophobicContact CG1-CE2 3.96Å; V365-V383 HydrophobicContact CG1-CG2 4.22Å; V365-T384 HydrophobicContact CB-CG2 4.38Å; V365-T384 HydrophobicContact CG1-CG2 4.03Å
366W98.7Very high98Very high11 Ų1122.7 Ų22.74%0.04214%0.138CC..Iπ-helixtrans-62-51.7175.5-175.6-79.1000111.8M64 M362 S363 V364 V370 A371 E377 F380 W412 P414M64-W366 HydrophobicContact CE-CH2 3.59Å; M64-W366 HydrophobicContact CE-CZ2 4.12Å; M64-W366 HydrophobicContact SD-CH2 3.8Å; M64-W366 HydrophobicContact SD-CZ3 4.39Å; M362-W366 VanDerWaalsContact O-CB 3.26Å; M362-W366 WeakPolarHBondContact O-CB 3.43Å; M362-W366 PolarHBondContact O-N 2.96Å; S363-W366 PolarHBondContact O-N 3.04Å; V364-W366 VanDerWaalsContact C-N 3.32Å; V364-W366 PolarHBondContact O-N 3.33Å; W366-V370 HydrophobicContact CD2-CB 3.94Å; W366-V370 HydrophobicContact CD2-CG1 4.17Å; W366-V370 HydrophobicContact CD2-CG2 4.09Å; W366-V370 HydrophobicContact CE3-CB 4.21Å; W366-V370 HydrophobicContact CE3-CG1 4.31Å; W366-V370 HydrophobicContact CE3-CG2 3.91Å; W366-V370 HydrophobicContact CG-CB 4.25Å; W366-V370 HydrophobicContact CH2-CG1 3.85Å; W366-V370 HydrophobicContact CZ2-CB 4.38Å; W366-V370 HydrophobicContact CZ2-CG1 3.7Å; W366-V370 HydrophobicContact CZ3-CG1 4.16Å; W366-V370 HydrophobicContact CZ3-CG2 4.26Å; W366-V370 WeakPolarHBondContact O-CA 3.43Å; W366-V370 WeakPolarHBondContact O-CB 3.32Å; W366-V370 PolarHBondContact O-N 3.34Å; W366-A371 PolarHBondContact O-N 3.15Å; W366-E377 HydrophobicContact CH2-CB 4.21Å; W366-E377 HydrophobicContact CZ3-CB 4.32Å; W366-F380 HydrophobicContact CB-CD2 4.37Å; W366-F380 HydrophobicContact CB-CE2 3.79Å; W366-F380 HydrophobicContact CB-CZ 4.26Å; W366-F380 AromaticContact CE3-CD1 3.8Å; W366-F380 HydrophobicContact CE3-CD1 3.8Å; W366-F380 AromaticContact CE3-CD2 3.99Å; W366-F380 HydrophobicContact CE3-CD2 3.99Å; W366-F380 AromaticContact CE3-CE1 3.82Å; W366-F380 HydrophobicContact CE3-CE1 3.82Å; W366-F380 HydrophobicContact CE3-CE2 4.02Å; W366-F380 AromaticContact CE3-CG 3.88Å; W366-F380 HydrophobicContact CE3-CG 3.88Å; W366-F380 AromaticContact CE3-CZ 3.93Å; W366-F380 HydrophobicContact CE3-CZ 3.93Å; W366-F380 AromaticContact CZ3-CD1 3.98Å; W366-F380 HydrophobicContact CZ3-CD1 3.98Å; W366-F380 HydrophobicContact CZ3-CE1 4.28Å; W366-F380 HydrophobicContact CZ3-CG 4.23Å; W366-W412 HydrophobicContact CB-CZ2 3.78Å; W366-W412 AromaticContact CD2-CE2 3.89Å; W366-W412 HydrophobicContact CD2-CZ2 4.01Å; W366-W412 AromaticContact CD2-NE1 3.28Å; W366-W412 VanDerWaalsContact CD2-NE1 3.28Å; W366-W412 AromaticContact CE2-NE1 3.53Å; W366-W412 AromaticContact CE3-CE2 3.89Å; W366-W412 HydrophobicContact CE3-CZ2 4.23Å; W366-W412 AromaticContact CE3-NE1 3.31Å; W366-W412 VanDerWaalsContact CE3-NE1 3.31Å; W366-W412 AromaticContact CG-CZ2 3.8Å; W366-W412 HydrophobicContact CG-CZ2 3.8Å; W366-W412 AromaticContact CG-NE1 3.93Å; W366-W412 AromaticContact CH2-NE1 3.88Å; W366-W412 AromaticContact CZ2-NE1 3.83Å; W366-W412 AromaticContact CZ3-CD1 3.88Å; W366-W412 AromaticContact CZ3-NE1 3.62Å; W366-P414 HydrophobicContact CH2-CB 4.26Å; W366-P414 HydrophobicContact CZ2-CB 3.59Å
367E97.9Very high98Very high32 Ų3224.4 Ų24.415%0.1515%0.145CC..Iπ-helixtrans-60-49.6179.9176.355.3-139.500111.7S363 V364 C369 S372 C439 R440S363-E367 VanDerWaalsContact O-CB 3.32Å; S363-E367 WeakPolarHBondContact O-CB 3.49Å; S363-E367 PolarHBondContact O-N 2.99Å; V364-E367 PolarHBondContact O-N 3.47Å; E367-C369 PolarHBondContact O-N 2.88Å; E367-S372 PolarHBondContact O-N 2.97Å; E367-C439 HydrophobicContact CB-CB 4.02Å; E367-C439 HydrophobicContact CG-CB 4.46Å; E367-R440 IonicContact OE1-CZ 2.66Å; E367-R440 IonicContact OE1-NE 3.45Å; E367-R440 PolarHBondContact OE1-NE 2.89Å; E367-R440 IonicContact OE1-NH2 3.75Å; E367-R440 PolarHBondContact OE1-NH2 3.42Å; E367-R440 WeakPolarHBondContact OE2-CB 3.24Å; E367-R440 IonicContact OE2-CZ 3.97Å; E367-R440 PolarHBondContact OE2-N 2.97Å; E367-R440 IonicContact OE2-NE 3.56Å; E367-R440 PolarHBondContact OE2-NE 3.34Å; E367-R440 IonicContact OE2-NH2 3.08Å; E367-R440 PolarHBondContact OE2-NH2 2.82Å
368K97.6Very high98Very high72 Ų7225.5 Ų25.531%0.31315%0.151SC..Iπ-helixtrans-75.3-24.3-173.1-63.2-73.9-170.5172.60113.7L283 G284 T318 V364 S372L283-K368 WeakPolarHBondContact O-CE 3.48Å; L283-K368 WeakPolarHBondContact O-CG 3.41Å; G284-K368 VanDerWaalsContact O-CE 3.31Å; G284-K368 WeakPolarHBondContact O-CE 3.3Å; G284-K368 PolarHBondContact O-NZ 3.43Å; T318-K368 HydrophobicContact CG2-CB 4.12Å; V364-K368 HydrophobicContact CG1-CG 4.25Å; V364-K368 VanDerWaalsContact O-CB 3.28Å; V364-K368 WeakPolarHBondContact O-CB 3.4Å; V364-K368 WeakPolarHBondContact O-CG 3.46Å; V364-K368 PolarHBondContact O-N 3.09Å; K368-S372 VanDerWaalsContact C-OG 3.24Å; K368-S372 PolarHBondContact O-OG 2.71Å
369C97.8Very high98Very high0 Ų029.2 Ų29.20%017%0.169CC..Iπ-helixtrans-117.6-48.6-174.7-44.30000113.9T318 V365 E367 S372 G373 K374 M375T318-C369 VanDerWaalsContact CG2-SG 3.51Å; V365-C369 WeakPolarHBondContact O-CB 3.36Å; V365-C369 PolarHBondContact O-N 3.44Å; V365-C369 PolarHBondContact O-SG 2.66Å; E367-C369 PolarHBondContact O-N 2.88Å; C369-S372 WeakPolarHBondContact CA-OG 3.45Å; C369-S372 PolarHBondContact O-OG 2.81Å; C369-G373 PolarHBondContact O-N 3.43Å; C369-K374 WeakPolarHBondContact O-CA 3.48Å; C369-K374 PolarHBondContact O-N 3.1Å; C369-M375 HydrophobicContact CB-CB 4.42Å; C369-M375 HydrophobicContact CB-CE 3.57Å; C369-M375 HydrophobicContact CB-CG 3.49Å; C369-M375 VanDerWaalsContact CB-CG 3.49Å; C369-M375 HydrophobicContact CB-SD 3.41Å; C369-M375 WeakPolarHBondContact CB-SD 3.45Å; C369-M375 PolarHBondContact O-N 2.94Å
370V98.2Very high98Very high22 Ų2228.2 Ų28.213%0.13316%0.164CC..Iπ-helixtrans-82-52.1-176.6-174.20000110.5W366 S372 G373 M375 F380W366-V370 HydrophobicContact CD2-CB 3.94Å; W366-V370 HydrophobicContact CD2-CG1 4.17Å; W366-V370 HydrophobicContact CD2-CG2 4.09Å; W366-V370 HydrophobicContact CE3-CB 4.21Å; W366-V370 HydrophobicContact CE3-CG1 4.31Å; W366-V370 HydrophobicContact CE3-CG2 3.91Å; W366-V370 HydrophobicContact CG-CB 4.25Å; W366-V370 HydrophobicContact CH2-CG1 3.85Å; W366-V370 HydrophobicContact CZ2-CB 4.38Å; W366-V370 HydrophobicContact CZ2-CG1 3.7Å; W366-V370 HydrophobicContact CZ3-CG1 4.16Å; W366-V370 HydrophobicContact CZ3-CG2 4.26Å; W366-V370 WeakPolarHBondContact O-CA 3.43Å; W366-V370 WeakPolarHBondContact O-CB 3.32Å; W366-V370 PolarHBondContact O-N 3.34Å; V370-S372 PolarHBondContact O-N 2.91Å; V370-G373 PolarHBondContact O-N 3.45Å; V370-M375 WeakPolarHBondContact CA-O 3.39Å; V370-M375 HydrophobicContact CG2-CG 3.74Å; V370-M375 HydrophobicContact CG2-SD 4.1Å; V370-F380 HydrophobicContact CG2-CB 3.63Å; V370-F380 HydrophobicContact CG2-CD2 3.84Å; V370-F380 HydrophobicContact CG2-CG 3.96Å
371A97.1Very high98Very high25 Ų2528 Ų2821%0.20716%0.163CC..THydrogen-bonded Turntrans-74.3-11.4-175.900000113.3W366 R440W366-A371 PolarHBondContact O-N 3.15Å; A371-R440 HydrophobicContact CB-CB 4.25Å; A371-R440 PolarHBondContact O-NH1 3.38Å; A371-R440 PolarHBondContact O-NH2 3.23Å
372S95.3Very high98Very high62 Ų6228.6 Ų28.643%0.43417%0.168SC..THydrogen-bonded Turntrans-91.3-11.8168.164.70000113.7E367 K368 C369 V370E367-S372 PolarHBondContact O-N 2.97Å; K368-S372 VanDerWaalsContact C-OG 3.24Å; K368-S372 PolarHBondContact O-OG 2.71Å; C369-S372 WeakPolarHBondContact CA-OG 3.45Å; C369-S372 PolarHBondContact O-OG 2.81Å; V370-S372 PolarHBondContact O-N 2.91Å
373G96.8Very high98Very high67 Ų6728.9 Ų28.969%0.69117%0.17SC*.THydrogen-bonded Turntrans78.620.5-179.400000115.4C369 V370C369-G373 PolarHBondContact O-N 3.43Å; V370-G373 PolarHBondContact O-N 3.45Å
374K96.9Very high98.1Very high62 Ų6228.5 Ų28.527%0.2717%0.167SC..SBendtrans-82.1-32174.5-65.9-172.4-178.1-175.40113.4D315 T318 S322 C369D315-K374 PolarHBondContact O-NZ 2.88Å; D315-K374 IonicContact OD1-NZ 3.49Å; D315-K374 PolarHBondContact OD1-NZ 3.04Å; T318-K374 PolarHBondContact OG1-NZ 3.35Å; S322-K374 VanDerWaalsContact CB-O 3.28Å; S322-K374 WeakPolarHBondContact CB-O 3.46Å; C369-K374 WeakPolarHBondContact O-CA 3.48Å; C369-K374 PolarHBondContact O-N 3.1Å
375M97.3Very high98.1Very high10 Ų1028.4 Ų28.45%0.04917%0.167CC..SBendtrans-135.3160.4175.776.1178.336.100110.8L321 C369 V370 E379 F380 V383L321-M375 HydrophobicContact CD2-CE 4.18Å; L321-M375 HydrophobicContact CG-CE 4.16Å; C369-M375 HydrophobicContact CB-CB 4.42Å; C369-M375 HydrophobicContact CB-CE 3.57Å; C369-M375 HydrophobicContact CB-CG 3.49Å; C369-M375 VanDerWaalsContact CB-CG 3.49Å; C369-M375 HydrophobicContact CB-SD 3.41Å; C369-M375 WeakPolarHBondContact CB-SD 3.45Å; C369-M375 PolarHBondContact O-N 2.94Å; V370-M375 WeakPolarHBondContact CA-O 3.39Å; V370-M375 HydrophobicContact CG2-CG 3.74Å; V370-M375 HydrophobicContact CG2-SD 4.1Å; M375-E379 WeakPolarHBondContact CA-OE2 3.31Å; M375-E379 HydrophobicContact CB-CB 3.9Å; M375-E379 VanDerWaalsContact CB-OE2 3.29Å; M375-E379 WeakPolarHBondContact CB-OE2 3.5Å; M375-E379 HydrophobicContact CG-CB 4.45Å; M375-F380 HydrophobicContact SD-CB 4.02Å; M375-V383 HydrophobicContact CE-CG2 4.1Å; M375-V383 HydrophobicContact SD-CG2 4.32Å
376D98.3Very high98.1Very high69 Ų6928.4 Ų28.437%0.36917%0.167SC..  trans-89.8176.5170.573.225.6000113.3N378 E379 F380D376-N378 PolarHBondContact O-N 3.24Å; D376-N378 VanDerWaalsContact OD1-CA 3.32Å; D376-N378 WeakPolarHBondContact OD1-CA 3.33Å; D376-N378 VanDerWaalsContact OD1-CB 3.26Å; D376-N378 WeakPolarHBondContact OD1-CB 3.41Å; D376-N378 PolarHBondContact OD1-N 3.24Å; D376-E379 PolarHBondContact N-OE2 2.9Å; D376-E379 PolarHBondContact OD1-N 3.49Å; D376-F380 PolarHBondContact O-N 3.43Å
377E98.4Very high98.1Very high40 Ų4029.1 Ų29.119%0.18717%0.171CC..Hα-helixtrans-64.7-2317760.4-95.3-145.900114.6R23 V25 M64 W366 V381R23-E377 IonicContact CZ-OE1 2.82Å; R23-E377 IonicContact NH1-OE1 2.73Å; R23-E377 PolarHBondContact NH1-OE1 3.46Å; R23-E377 IonicContact NH2-OE1 3.25Å; R23-E377 PolarHBondContact NH2-OE1 3.45Å; R23-E377 IonicContact NH2-OE2 3.56Å; V25-E377 HydrophobicContact CG1-CB 3.96Å; V25-E377 HydrophobicContact CG1-CG 3.71Å; V25-E377 WeakPolarHBondContact CG1-O 3.45Å; V25-E377 HydrophobicContact CG2-CG 4.14Å; M64-E377 HydrophobicContact SD-CB 4.15Å; W366-E377 HydrophobicContact CH2-CB 4.21Å; W366-E377 HydrophobicContact CZ3-CB 4.32Å; E377-V381 WeakPolarHBondContact O-CG2 3.4Å; E377-V381 PolarHBondContact O-N 3.22Å
378N98.8Very high98.1Very high23 Ų2327.6 Ų27.612%0.12316%0.164CC..Hα-helixtrans-79.3-43.7-179.4-6298.1000109.8N26 Q29 S30 D376 F380 V381 A382N26-N378 WeakPolarHBondContact O-CA 3.42Å; N26-N378 WeakPolarHBondContact O-CB 3.48Å; N26-N378 PolarHBondContact O-ND2 2.83Å; Q29-N378 PolarHBondContact O-ND2 3.32Å; Q29-N378 VanDerWaalsContact O-ND2 3.14Å; S30-N378 PolarHBondContact OG-ND2 2.95Å; S30-N378 PolarHBondContact OG-OD1 2.93Å; D376-N378 PolarHBondContact O-N 3.24Å; D376-N378 VanDerWaalsContact OD1-CA 3.32Å; D376-N378 WeakPolarHBondContact OD1-CA 3.33Å; D376-N378 VanDerWaalsContact OD1-CB 3.26Å; D376-N378 WeakPolarHBondContact OD1-CB 3.41Å; D376-N378 PolarHBondContact OD1-N 3.24Å; N378-F380 VanDerWaalsContact C-N 3.32Å; N378-F380 PolarHBondContact O-N 3.46Å; N378-V381 PolarHBondContact O-N 2.72Å; N378-A382 PolarHBondContact O-N 3.46Å
379E98.6Very high98.2Very high79 Ų7924.1 Ų24.137%0.36915%0.149SC..Hα-helixtrans-61.4-38.7170.1-68.8176140.500111.9M375 D376 V381 A382 V383M375-E379 WeakPolarHBondContact CA-OE2 3.31Å; M375-E379 HydrophobicContact CB-CB 3.9Å; M375-E379 VanDerWaalsContact CB-OE2 3.29Å; M375-E379 WeakPolarHBondContact CB-OE2 3.5Å; M375-E379 HydrophobicContact CG-CB 4.45Å; D376-E379 PolarHBondContact N-OE2 2.9Å; D376-E379 PolarHBondContact OD1-N 3.49Å; E379-V381 PolarHBondContact O-N 3.34Å; E379-A382 WeakPolarHBondContact O-CB 3.21Å; E379-A382 PolarHBondContact O-N 3.2Å; E379-A382 VanDerWaalsContact O-N 3.13Å; E379-V383 PolarHBondContact O-N 3.04Å
380F98.9Very high98.3Very high0 Ų026.1 Ų26.10%016%0.158CC..Hα-helixtrans-57-47.7171.6174.8-96.6000112.4L66 M362 V365 W366 V370 M375 D376 N378 A382 V383 T384L66-F380 HydrophobicContact CD1-CD1 4.26Å; L66-F380 HydrophobicContact CD1-CE1 3.8Å; M362-F380 HydrophobicContact CB-CZ 4.18Å; M362-F380 HydrophobicContact CE-CE1 3.73Å; M362-F380 HydrophobicContact CE-CZ 3.78Å; M362-F380 WeakPolarHBondContact O-CE2 3.35Å; V365-F380 HydrophobicContact CB-CE2 4.1Å; V365-F380 HydrophobicContact CG1-CD2 3.91Å; V365-F380 HydrophobicContact CG1-CE2 3.96Å; W366-F380 HydrophobicContact CB-CD2 4.37Å; W366-F380 HydrophobicContact CB-CE2 3.79Å; W366-F380 HydrophobicContact CB-CZ 4.26Å; W366-F380 AromaticContact CE3-CD1 3.8Å; W366-F380 HydrophobicContact CE3-CD1 3.8Å; W366-F380 AromaticContact CE3-CD2 3.99Å; W366-F380 HydrophobicContact CE3-CD2 3.99Å; W366-F380 AromaticContact CE3-CE1 3.82Å; W366-F380 HydrophobicContact CE3-CE1 3.82Å; W366-F380 HydrophobicContact CE3-CE2 4.02Å; W366-F380 AromaticContact CE3-CG 3.88Å; W366-F380 HydrophobicContact CE3-CG 3.88Å; W366-F380 AromaticContact CE3-CZ 3.93Å; W366-F380 HydrophobicContact CE3-CZ 3.93Å; W366-F380 AromaticContact CZ3-CD1 3.98Å; W366-F380 HydrophobicContact CZ3-CD1 3.98Å; W366-F380 HydrophobicContact CZ3-CE1 4.28Å; W366-F380 HydrophobicContact CZ3-CG 4.23Å; V370-F380 HydrophobicContact CG2-CB 3.63Å; V370-F380 HydrophobicContact CG2-CD2 3.84Å; V370-F380 HydrophobicContact CG2-CG 3.96Å; M375-F380 HydrophobicContact SD-CB 4.02Å; D376-F380 PolarHBondContact O-N 3.43Å; N378-F380 VanDerWaalsContact C-N 3.32Å; N378-F380 PolarHBondContact O-N 3.46Å; F380-A382 VanDerWaalsContact C-N 3.28Å; F380-A382 PolarHBondContact O-N 2.83Å; F380-V383 PolarHBondContact O-N 2.89Å; F380-T384 HydrophobicContact CD2-CG2 4Å; F380-T384 HydrophobicContact CE1-CG2 4.4Å; F380-T384 HydrophobicContact CE2-CG2 3.69Å; F380-T384 HydrophobicContact CG-CG2 4.48Å; F380-T384 HydrophobicContact CZ-CG2 3.91Å; F380-T384 WeakPolarHBondContact O-CB 3.22Å; F380-T384 WeakPolarHBondContact O-CG2 3.37Å; F380-T384 PolarHBondContact O-N 3.41Å; F380-T384 PolarHBondContact O-OG1 3.03Å
381V98.9Very high98.3Very high1 Ų125.1 Ų25.11%0.00615%0.152CC..Hα-helixtrans-62-38.8175.41680000111.1V25 L66 P67 E377 N378 E379 S385 T386V25-V381 HydrophobicContact CB-CG2 4.36Å; V25-V381 HydrophobicContact CG1-CG2 3.84Å; L66-V381 HydrophobicContact CB-CG2 4.39Å; L66-V381 HydrophobicContact CD2-CG2 4.07Å; P67-V381 HydrophobicContact CG-CG1 3.69Å; E377-V381 WeakPolarHBondContact O-CG2 3.4Å; E377-V381 PolarHBondContact O-N 3.22Å; N378-V381 PolarHBondContact O-N 2.72Å; E379-V381 PolarHBondContact O-N 3.34Å; V381-S385 PolarHBondContact O-N 2.6Å; V381-S385 VanDerWaalsContact O-N 3.08Å; V381-S385 PolarHBondContact O-OG 3.14Å; V381-T386 PolarHBondContact O-N 3.15Å; V381-T386 VanDerWaalsContact O-N 3.1Å; V381-T386 PolarHBondContact O-OG1 3.26Å
382A98.9Very high98.4Very high14 Ų1423.9 Ų23.912%0.11614%0.142CC..Iπ-helixtrans-60.2-51.5177.700000112.2D27 N378 E379 F380 T386 N387D27-A382 HydrophobicContact CB-CB 3.91Å; N378-A382 PolarHBondContact O-N 3.46Å; E379-A382 WeakPolarHBondContact O-CB 3.21Å; E379-A382 PolarHBondContact O-N 3.2Å; E379-A382 VanDerWaalsContact O-N 3.13Å; F380-A382 VanDerWaalsContact C-N 3.28Å; F380-A382 PolarHBondContact O-N 2.83Å; A382-T386 PolarHBondContact O-N 2.95Å; A382-N387 VanDerWaalsContact O-CB 3.23Å; A382-N387 WeakPolarHBondContact O-CB 3.45Å; A382-N387 VanDerWaalsContact O-CG 3.24Å; A382-N387 PolarHBondContact O-N 2.93Å; A382-N387 PolarHBondContact O-ND2 3.5Å
383V98.8Very high98.5Very high7 Ų723.3 Ų23.34%0.04213%0.134CC..Iπ-helixtrans-78.3-27.3-175.2-57.10000114L321 V328 T329 V365 M375 E379 F380L321-V383 HydrophobicContact CD1-CB 3.99Å; L321-V383 HydrophobicContact CD1-CG1 3.72Å; L321-V383 HydrophobicContact CD2-CG2 4.3Å; L321-V383 HydrophobicContact CG-CB 4.39Å; L321-V383 HydrophobicContact CG-CG1 4.04Å; L321-V383 HydrophobicContact CG-CG2 4.48Å; V328-V383 WeakPolarHBondContact CA-O 3.48Å; T329-V383 HydrophobicContact CG2-CG2 4.49Å; T329-V383 PolarHBondContact N-O 3.42Å; T329-V383 PolarHBondContact OG1-O 2.56Å; V365-V383 HydrophobicContact CG1-CG2 4.22Å; M375-V383 HydrophobicContact CE-CG2 4.1Å; M375-V383 HydrophobicContact SD-CG2 4.32Å; E379-V383 PolarHBondContact O-N 3.04Å; F380-V383 PolarHBondContact O-N 2.89Å
384T98.9Very high98.6Very high1 Ų120.8 Ų20.81%0.00610%0.104CC..Iπ-helixtrans-91.1-16-179.160.40000114.6V70 R361 V365 F380V70-T384 PolarHBondContact N-O 3.23Å; R361-T384 PolarHBondContact NH1-O 2.8Å; R361-T384 VanDerWaalsContact NH1-O 3.15Å; V365-T384 HydrophobicContact CB-CG2 4.38Å; V365-T384 HydrophobicContact CG1-CG2 4.03Å; F380-T384 HydrophobicContact CD2-CG2 4Å; F380-T384 HydrophobicContact CE1-CG2 4.4Å; F380-T384 HydrophobicContact CE2-CG2 3.69Å; F380-T384 HydrophobicContact CG-CG2 4.48Å; F380-T384 HydrophobicContact CZ-CG2 3.91Å; F380-T384 WeakPolarHBondContact O-CB 3.22Å; F380-T384 WeakPolarHBondContact O-CG2 3.37Å; F380-T384 PolarHBondContact O-N 3.41Å; F380-T384 PolarHBondContact O-OG1 3.03Å
385S98.9Very high98.7Very high0 Ų021.6 Ų21.60%011%0.106CC..Iπ-helixtrans-147.8-52.3-178.273.90000115.1G68 V381 A388 A389G68-S385 WeakPolarHBondContact O-CB 3.48Å; V381-S385 PolarHBondContact O-N 2.6Å; V381-S385 VanDerWaalsContact O-N 3.08Å; V381-S385 PolarHBondContact O-OG 3.14Å; S385-A388 PolarHBondContact O-N 3.13Å; S385-A389 PolarHBondContact O-N 3.5Å; S385-A389 VanDerWaalsContact O-N 3.12Å
386T98.9Very high98.8Very high0 Ų024.4 Ų24.40%013%0.125CC..Iπ-helixtrans-73.8-40-164.2-470000113.3D27 V381 A382 A389 K390 Y395 G399D27-T386 HydrophobicContact CB-CG2 4.07Å; V381-T386 PolarHBondContact O-N 3.15Å; V381-T386 VanDerWaalsContact O-N 3.1Å; V381-T386 PolarHBondContact O-OG1 3.26Å; A382-T386 PolarHBondContact O-N 2.95Å; T386-A389 PolarHBondContact O-N 3.23Å; T386-K390 HydrophobicContact CG2-CD 4.11Å; T386-K390 HydrophobicContact CG2-CG 4.47Å; T386-K390 WeakPolarHBondContact O-CG 3.39Å; T386-K390 PolarHBondContact O-N 3.25Å; T386-Y395 HydrophobicContact CG2-CD2 3.65Å; T386-Y395 HydrophobicContact CG2-CE2 3.41Å; T386-Y395 VanDerWaalsContact CG2-CE2 3.41Å; T386-G399 WeakPolarHBondContact CB-O 3.48Å; T386-G399 WeakPolarHBondContact CG2-O 3.22Å; T386-G399 PolarHBondContact OG1-O 3.29Å
387N98.9Very high98.8Very high25 Ų2525.4 Ų25.413%0.13412%0.123CC..Hα-helixtrans-65.7-39.9178.3-71.1-21.3000111.1Q327 V328 A382 A389 K390 I391Q327-N387 WeakPolarHBondContact O-CB 3.46Å; Q327-N387 PolarHBondContact O-ND2 3.22Å; V328-N387 HydrophobicContact CG2-CB 3.86Å; A382-N387 VanDerWaalsContact O-CB 3.23Å; A382-N387 WeakPolarHBondContact O-CB 3.45Å; A382-N387 VanDerWaalsContact O-CG 3.24Å; A382-N387 PolarHBondContact O-N 2.93Å; A382-N387 PolarHBondContact O-ND2 3.5Å; N387-A389 PolarHBondContact O-N 3.35Å; N387-K390 PolarHBondContact O-N 3.27Å; N387-I391 WeakPolarHBondContact O-CB 3.39Å; N387-I391 WeakPolarHBondContact O-CD1 3.27Å; N387-I391 VanDerWaalsContact O-CG1 3.22Å; N387-I391 WeakPolarHBondContact O-CG1 3.33Å; N387-I391 PolarHBondContact O-N 3.18Å
388A98.9Very high98.8Very high0 Ų023.8 Ų23.80%012%0.115CC..Hα-helixtrans-56.4-50.2171.200000111.5V70 V72 V328 S385 K390 I391 F392V70-A388 HydrophobicContact CB-CB 3.98Å; V70-A388 HydrophobicContact CG1-CB 3.76Å; V72-A388 HydrophobicContact CG1-CB 3.38Å; V328-A388 HydrophobicContact CG1-CB 3.95Å; S385-A388 PolarHBondContact O-N 3.13Å; A388-K390 VanDerWaalsContact C-N 3.31Å; A388-K390 PolarHBondContact O-N 3.26Å; A388-I391 PolarHBondContact O-N 3.5Å; A388-F392 WeakPolarHBondContact O-CB 3.37Å; A388-F392 WeakPolarHBondContact O-CD2 3.33Å; A388-F392 PolarHBondContact O-N 3.42Å
389A98.9Very high98.8Very high0 Ų022.9 Ų22.90%011%0.112CC..Hα-helixtrans-62.5-35.2179.100000113.3S385 T386 N387 N393 F394 Y395 K398S385-A389 PolarHBondContact O-N 3.5Å; S385-A389 VanDerWaalsContact O-N 3.12Å; T386-A389 PolarHBondContact O-N 3.23Å; N387-A389 PolarHBondContact O-N 3.35Å; A389-N393 PolarHBondContact O-N 2.88Å; A389-F394 VanDerWaalsContact CA-CE2 3.44Å; A389-F394 HydrophobicContact CB-CD2 3.6Å; A389-F394 HydrophobicContact CB-CE2 3.56Å; A389-F394 HydrophobicContact CB-CG 4.49Å; A389-F394 HydrophobicContact CB-CZ 4.43Å; A389-F394 PolarHBondContact O-N 3.26Å; A389-Y395 HydrophobicContact CB-CD2 4.5Å; A389-Y395 PolarHBondContact O-N 3.11Å; A389-K398 WeakPolarHBondContact CB-O 3.49Å
390K98.9Very high98.8Very high41 Ų4120.9 Ų20.918%0.17810%0.101CC..Hα-helixtrans-71.6-43.2175.3-72.7168179.7162.40112.3D27 T386 N387 A388 Y395 F477D27-K390 IonicContact OD2-NZ 3.52Å; D27-K390 PolarHBondContact OD2-NZ 2.81Å; T386-K390 HydrophobicContact CG2-CD 4.11Å; T386-K390 HydrophobicContact CG2-CG 4.47Å; T386-K390 WeakPolarHBondContact O-CG 3.39Å; T386-K390 PolarHBondContact O-N 3.25Å; N387-K390 PolarHBondContact O-N 3.27Å; A388-K390 VanDerWaalsContact C-N 3.31Å; A388-K390 PolarHBondContact O-N 3.26Å; K390-Y395 HydrophobicContact CG-CD1 4.06Å; K390-Y395 HydrophobicContact CG-CD2 4.11Å; K390-Y395 HydrophobicContact CG-CG 3.77Å; K390-F477 HydrophobicContact CB-CB 4.07Å; K390-F477 HydrophobicContact CB-CD1 3.96Å; K390-F477 HydrophobicContact CB-CD2 4.11Å; K390-F477 HydrophobicContact CB-CE1 4.4Å; K390-F477 HydrophobicContact CB-CG 3.79Å; K390-F477 HydrophobicContact CD-CD2 4.22Å; K390-F477 HydrophobicContact CD-CE2 4.18Å; K390-F477 WeakPolarHBondContact O-CB 3.32Å
391I98.9Very high98.8Very high1 Ų121 Ų211%0.00510%0.101CC..Hα-helixtrans-68.3-48.4-179-71.5166.6000110.8L194 Y251 F275 V328 N387 A388 N393 P475 F477 V478L194-I391 HydrophobicContact CD2-CG2 3.46Å; L194-I391 VanDerWaalsContact CD2-CG2 3.46Å; Y251-I391 HydrophobicContact CD2-CG2 4.24Å; Y251-I391 HydrophobicContact CE2-CD1 4.42Å; Y251-I391 HydrophobicContact CE2-CG2 4.31Å; F275-I391 HydrophobicContact CB-CD1 4.5Å; F275-I391 HydrophobicContact CD1-CD1 3.71Å; F275-I391 HydrophobicContact CD1-CG1 4.22Å; F275-I391 HydrophobicContact CE1-CD1 4.06Å; F275-I391 HydrophobicContact CE1-CG1 4.09Å; F275-I391 HydrophobicContact CG-CD1 4.05Å; F275-I391 HydrophobicContact CZ-CG1 4.34Å; V328-I391 HydrophobicContact CG2-CD1 3.65Å; N387-I391 WeakPolarHBondContact O-CB 3.39Å; N387-I391 WeakPolarHBondContact O-CD1 3.27Å; N387-I391 VanDerWaalsContact O-CG1 3.22Å; N387-I391 WeakPolarHBondContact O-CG1 3.33Å; N387-I391 PolarHBondContact O-N 3.18Å; A388-I391 PolarHBondContact O-N 3.5Å; I391-N393 VanDerWaalsContact C-N 3.35Å; I391-N393 PolarHBondContact O-N 3.41Å; I391-P475 WeakPolarHBondContact O-CB 3.37Å; I391-P475 WeakPolarHBondContact O-CG 3.31Å; I391-F477 HydrophobicContact CD1-CE1 4.19Å; I391-F477 HydrophobicContact CG1-CD1 3.63Å; I391-F477 HydrophobicContact CG1-CE1 3.57Å; I391-V478 HydrophobicContact CG2-CG2 4.4Å
392F98.8Very high98.8Very high0 Ų022.1 Ų22.10%011%0.111CC..THydrogen-bonded Turntrans-9210.2-175.6-61.9-66.1000114.2V72 L105 H138 N162 L194 Y251 A388 F394 R471V72-F392 HydrophobicContact CB-CE2 3.96Å; V72-F392 HydrophobicContact CG1-CD2 4.06Å; V72-F392 HydrophobicContact CG1-CE2 3.71Å; L105-F392 HydrophobicContact CD2-CB 4.22Å; L105-F392 HydrophobicContact CD2-CD1 4.36Å; L105-F392 HydrophobicContact CD2-CD2 3.98Å; L105-F392 HydrophobicContact CD2-CE2 4.48Å; L105-F392 HydrophobicContact CD2-CG 3.93Å; H138-F392 AromaticContact CE1-CD1 3.76Å; H138-F392 AromaticContact CE1-CE1 3.36Å; H138-F392 WeakPolarHBondContact CE1-CE1 3.41Å; H138-F392 AromaticContact CE1-CZ 3.76Å; N162-F392 PolarHBondContact ND2-O 3.39Å; L194-F392 HydrophobicContact CD2-CD1 4.31Å; L194-F392 HydrophobicContact CD2-CE1 3.69Å; L194-F392 HydrophobicContact CD2-CZ 4.23Å; Y251-F392 HydrophobicContact CD2-CZ 4.24Å; Y251-F392 HydrophobicContact CE2-CE2 4.17Å; Y251-F392 AromaticContact CE2-CZ 3.85Å; Y251-F392 HydrophobicContact CE2-CZ 3.85Å; A388-F392 WeakPolarHBondContact O-CB 3.37Å; A388-F392 WeakPolarHBondContact O-CD2 3.33Å; A388-F392 PolarHBondContact O-N 3.42Å; F392-F394 HydrophobicContact CB-CD1 4.04Å; F392-F394 HydrophobicContact CB-CE1 3.49Å; F392-F394 VanDerWaalsContact CB-CE1 3.49Å; F392-F394 HydrophobicContact CB-CZ 4.37Å; F392-R471 WeakPolarHBondContact O-CB 3.24Å; F392-R471 WeakPolarHBondContact O-CD 3.42Å; F392-R471 VanDerWaalsContact O-CG 3.3Å; F392-R471 WeakPolarHBondContact O-CG 3.49Å
393N98.8Very high98.8Very high50 Ų5025.9 Ų25.927%0.26713%0.132SC..THydrogen-bonded Turntrans67.846.7167.4-146.313.7000117A389 I391 K472 T473 P475A389-N393 PolarHBondContact O-N 2.88Å; I391-N393 VanDerWaalsContact C-N 3.35Å; I391-N393 PolarHBondContact O-N 3.41Å; N393-K472 WeakPolarHBondContact CB-O 3.31Å; N393-K472 PolarHBondContact ND2-O 2.98Å; N393-T473 PolarHBondContact ND2-O 3.07Å; N393-P475 HydrophobicContact CB-CB 3.8Å; N393-P475 HydrophobicContact CB-CG 4.31Å
394F98.7Very high98.7Very high13 Ų1328 Ų286%0.05716%0.156CC..  trans-135.315.4171.853.6-97.7000114.2V70 M103 L105 A389 F392 R397 K398 I469 R471V70-F394 HydrophobicContact CG1-CE2 4.22Å; V70-F394 HydrophobicContact CG1-CZ 3.9Å; V70-F394 HydrophobicContact CG2-CE2 4.27Å; M103-F394 HydrophobicContact CE-CE1 4.02Å; M103-F394 HydrophobicContact CE-CE2 4.42Å; M103-F394 HydrophobicContact CE-CZ 3.96Å; M103-F394 HydrophobicContact SD-CD2 4.24Å; M103-F394 HydrophobicContact SD-CE1 4.27Å; M103-F394 HydrophobicContact SD-CE2 3.62Å; M103-F394 HydrophobicContact SD-CZ 3.63Å; L105-F394 HydrophobicContact CD1-CE1 4.47Å; L105-F394 HydrophobicContact CD1-CZ 4.18Å; L105-F394 HydrophobicContact CD2-CE1 4.44Å; A389-F394 VanDerWaalsContact CA-CE2 3.44Å; A389-F394 HydrophobicContact CB-CD2 3.6Å; A389-F394 HydrophobicContact CB-CE2 3.56Å; A389-F394 HydrophobicContact CB-CG 4.49Å; A389-F394 HydrophobicContact CB-CZ 4.43Å; A389-F394 PolarHBondContact O-N 3.26Å; F392-F394 HydrophobicContact CB-CD1 4.04Å; F392-F394 HydrophobicContact CB-CE1 3.49Å; F392-F394 VanDerWaalsContact CB-CE1 3.49Å; F392-F394 HydrophobicContact CB-CZ 4.37Å; F394-R397 WeakPolarHBondContact O-CA 3.41Å; F394-R397 VanDerWaalsContact O-CB 3.31Å; F394-R397 WeakPolarHBondContact O-CB 3.43Å; F394-R397 PolarHBondContact O-N 2.98Å; F394-K398 HydrophobicContact CD2-CB 3.92Å; F394-K398 HydrophobicContact CD2-CD 4.07Å; F394-K398 HydrophobicContact CD2-CG 4.33Å; F394-K398 HydrophobicContact CE2-CB 4.19Å; F394-K398 HydrophobicContact CE2-CD 4.2Å; F394-K398 PolarHBondContact O-N 2.8Å; F394-K398 VanDerWaalsContact O-N 3.11Å; F394-I469 HydrophobicContact CB-CG2 4.32Å; F394-R471 HydrophobicContact CD1-CG 3.95Å
395Y98.8Very high98.7Very high80 Ų8028.1 Ų28.131%0.31416%0.157SC..THydrogen-bonded Turntrans-78.7142.9166.1179.5-94000111.2T386 A389 K390 R400T386-Y395 HydrophobicContact CG2-CD2 3.65Å; T386-Y395 HydrophobicContact CG2-CE2 3.41Å; T386-Y395 VanDerWaalsContact CG2-CE2 3.41Å; A389-Y395 HydrophobicContact CB-CD2 4.5Å; A389-Y395 PolarHBondContact O-N 3.11Å; K390-Y395 HydrophobicContact CG-CD1 4.06Å; K390-Y395 HydrophobicContact CG-CD2 4.11Å; K390-Y395 HydrophobicContact CG-CG 3.77Å; Y395-R400 HydrophobicContact CE2-CB 4Å; Y395-R400 HydrophobicContact CE2-CG 4.42Å; Y395-R400 WeakPolarHBondContact OH-CD 3.32Å; Y395-R400 PolarHBondContact OH-NH1 3.31Å
396P98.5Very high98.7Very high68 Ų6828.6 Ų28.644%0.44216%0.159SC..THydrogen-bonded Turncis-90.512.6-1.938-36.6000113.6K398 R400 S405P396-K398 PolarHBondContact O-N 3.03Å; P396-R400 HydrophobicContact CB-CB 4.38Å; P396-S405 WeakPolarHBondContact O-CB 3.18Å; P396-S405 PolarHBondContact O-OG 3.15Å
397R98.6Very high98.7Very high90 Ų9028.6 Ų28.634%0.3416%0.159SC..THydrogen-bonded Turntrans-55.8-38.6-179.8-177.1-177.7170-157.4-14.9111.4F394 D406F394-R397 WeakPolarHBondContact O-CA 3.41Å; F394-R397 VanDerWaalsContact O-CB 3.31Å; F394-R397 WeakPolarHBondContact O-CB 3.43Å; F394-R397 PolarHBondContact O-N 2.98Å; R397-D406 HydrophobicContact CG-CB 4.47Å; R397-D406 WeakPolarHBondContact CG-OD1 3.49Å; R397-D406 IonicContact CZ-OD1 3Å; R397-D406 IonicContact CZ-OD2 3.4Å; R397-D406 VanDerWaalsContact NE-CG 3.29Å; R397-D406 IonicContact NE-OD1 3.56Å; R397-D406 PolarHBondContact NE-OD1 3.05Å; R397-D406 IonicContact NE-OD2 2.8Å; R397-D406 PolarHBondContact NE-OD2 3.48Å; R397-D406 IonicContact NH2-OD1 2.65Å; R397-D406 IonicContact NH2-OD2 2.76Å; R397-D406 PolarHBondContact NH2-OD2 3.23Å; R397-D406 PolarHBondContact O-N 3.22Å
398K98.9Very high98.7Very high6 Ų627.7 Ų27.73%0.02615%0.154CC..SBendtrans-126168166.1-55175.1176.2-740110.8M103 D134 A389 F394 P396 R400 D408M103-K398 HydrophobicContact CB-CD 4.22Å; M103-K398 HydrophobicContact CG-CD 4.29Å; M103-K398 HydrophobicContact SD-CD 3.31Å; M103-K398 WeakPolarHBondContact SD-CD 3.33Å; M103-K398 VanDerWaalsContact SD-CE 3.58Å; D134-K398 VanDerWaalsContact CB-NZ 3.33Å; D134-K398 IonicContact OD2-NZ 2.68Å; D134-K398 PolarHBondContact OD2-NZ 3.12Å; A389-K398 WeakPolarHBondContact CB-O 3.49Å; F394-K398 HydrophobicContact CD2-CB 3.92Å; F394-K398 HydrophobicContact CD2-CD 4.07Å; F394-K398 HydrophobicContact CD2-CG 4.33Å; F394-K398 HydrophobicContact CE2-CB 4.19Å; F394-K398 HydrophobicContact CE2-CD 4.2Å; F394-K398 PolarHBondContact O-N 2.8Å; F394-K398 VanDerWaalsContact O-N 3.11Å; P396-K398 PolarHBondContact O-N 3.03Å; K398-R400 VanDerWaalsContact C-N 3.3Å; K398-R400 PolarHBondContact O-N 3.18Å; K398-D408 IonicContact NZ-OD2 3.63Å; K398-D408 PolarHBondContact NZ-OD2 3.4Å
399G98.5Very high98.7Very high4 Ų427.8 Ų27.84%0.04116%0.155CC..SBendtrans71.621.9179.900000113.8T386T386-G399 WeakPolarHBondContact CB-O 3.48Å; T386-G399 WeakPolarHBondContact CG2-O 3.22Å; T386-G399 PolarHBondContact OG1-O 3.29Å
400R98.8Very high98.7Very high38 Ų3827.8 Ų27.814%0.14316%0.155CC..SBendtrans-154.7137.6171.1-159.1175.2-177.777.69.7111.4N26 D27 D28 Y395 P396 K398 A402 S405N26-R400 WeakPolarHBondContact OD1-CA 3.45Å; N26-R400 WeakPolarHBondContact OD1-CG 3.34Å; D27-R400 IonicContact OD1-NH1 3.49Å; D27-R400 PolarHBondContact OD1-NH1 3.13Å; D28-R400 VanDerWaalsContact CG-NH1 3.34Å; D28-R400 IonicContact OD1-CZ 2.74Å; D28-R400 VanDerWaalsContact OD1-CZ 3.22Å; D28-R400 IonicContact OD1-NH1 3.79Å; D28-R400 PolarHBondContact OD1-NH1 2.93Å; D28-R400 IonicContact OD1-NH2 3.59Å; D28-R400 PolarHBondContact OD1-NH2 2.93Å; D28-R400 IonicContact OD2-CZ 3.33Å; D28-R400 IonicContact OD2-NH1 3.77Å; D28-R400 PolarHBondContact OD2-NH1 3.22Å; D28-R400 IonicContact OD2-NH2 3.06Å; D28-R400 PolarHBondContact OD2-NH2 2.98Å; Y395-R400 HydrophobicContact CE2-CB 4Å; Y395-R400 HydrophobicContact CE2-CG 4.42Å; Y395-R400 WeakPolarHBondContact OH-CD 3.32Å; Y395-R400 PolarHBondContact OH-NH1 3.31Å; P396-R400 HydrophobicContact CB-CB 4.38Å; K398-R400 VanDerWaalsContact C-N 3.3Å; K398-R400 PolarHBondContact O-N 3.18Å; R400-A402 HydrophobicContact CG-CB 4.09Å; R400-A402 PolarHBondContact O-N 3.03Å; R400-S405 WeakPolarHBondContact O-CB 3.35Å; R400-S405 PolarHBondContact O-OG 3.37Å
401V98.8Very high98.7Very high2 Ų225.8 Ų25.81%0.01215%0.146CC..  trans-85.592.7166-169.30000107.6I24 N26 V35 I42 I45 P67 L409I24-V401 HydrophobicContact CD1-CG1 4.15Å; I24-V401 HydrophobicContact CG1-CG1 4.43Å; I24-V401 HydrophobicContact CG2-CB 3.67Å; I24-V401 HydrophobicContact CG2-CG1 3.76Å; I24-V401 HydrophobicContact CG2-CG2 4.13Å; N26-V401 PolarHBondContact ND2-O 3.05Å; N26-V401 PolarHBondContact OD1-N 3.13Å; V35-V401 HydrophobicContact CG2-CG1 4.3Å; I42-V401 HydrophobicContact CD1-CG1 4.05Å; I45-V401 HydrophobicContact CD1-CG1 4.14Å; P67-V401 HydrophobicContact CG-CG2 3.95Å; V401-L409 HydrophobicContact CB-CD2 4.3Å; V401-L409 HydrophobicContact CG1-CD2 4.01Å; V401-L409 HydrophobicContact CG2-CD2 3.64Å
402A98.6Very high98.7Very high24 Ų2425.8 Ų25.820%0.19815%0.146CC..  trans-146.6154.2-179.300000111.3I42 R400 G404 S405I42-A402 WeakPolarHBondContact CB-O 3.43Å; R400-A402 HydrophobicContact CG-CB 4.09Å; R400-A402 PolarHBondContact O-N 3.03Å; A402-G404 PolarHBondContact O-N 3.35Å; A402-S405 WeakPolarHBondContact O-CB 3.42Å; A402-S405 PolarHBondContact O-N 3.41Å; A402-S405 VanDerWaalsContact O-N 3.1Å; A402-S405 PolarHBondContact O-OG 2.85Å
403V98.6Very high98.6Very high93 Ų9328 Ų2856%0.56416%0.158SC*.THydrogen-bonded Turntrans-60.4128175.3174.40000110.2K43 I45K43-V403 WeakPolarHBondContact O-CG1 3.48Å; I45-V403 HydrophobicContact CG1-CG2 4.22Å
404G98.3Very high98.5Very high53 Ų5327.1 Ų27.155%0.54616%0.155SC..THydrogen-bonded Turntrans90.1-7.6-176.700000115.3I42 A402I42-G404 PolarHBondContact O-N 3.29Å; A402-G404 PolarHBondContact O-N 3.35Å
405S98.8Very high98.3Very high3 Ų335.2 Ų35.22%0.02119%0.19CC..SBendtrans-73.6155.5169.3-60.60000111.4I42 P396 R400 A402I42-S405 PolarHBondContact N-O 3.17Å; P396-S405 WeakPolarHBondContact O-CB 3.18Å; P396-S405 PolarHBondContact O-OG 3.15Å; R400-S405 WeakPolarHBondContact O-CB 3.35Å; R400-S405 PolarHBondContact O-OG 3.37Å; A402-S405 WeakPolarHBondContact O-CB 3.42Å; A402-S405 PolarHBondContact O-N 3.41Å; A402-S405 VanDerWaalsContact O-N 3.1Å; A402-S405 PolarHBondContact O-OG 2.85Å
406D98.8Very high98.2Very high9 Ų932.5 Ų32.55%0.04818%0.184CC..BIsolated β-bridgetrans-61.1138.2170-73.929.4000108.6R397 D408 R467R397-D406 HydrophobicContact CG-CB 4.47Å; R397-D406 WeakPolarHBondContact CG-OD1 3.49Å; R397-D406 IonicContact CZ-OD1 3Å; R397-D406 IonicContact CZ-OD2 3.4Å; R397-D406 VanDerWaalsContact NE-CG 3.29Å; R397-D406 IonicContact NE-OD1 3.56Å; R397-D406 PolarHBondContact NE-OD1 3.05Å; R397-D406 IonicContact NE-OD2 2.8Å; R397-D406 PolarHBondContact NE-OD2 3.48Å; R397-D406 IonicContact NH2-OD1 2.65Å; R397-D406 IonicContact NH2-OD2 2.76Å; R397-D406 PolarHBondContact NH2-OD2 3.23Å; R397-D406 PolarHBondContact O-N 3.22Å; D406-D408 PolarHBondContact O-N 3.02Å; D406-R467 IonicContact OD2-CZ 2.79Å; D406-R467 IonicContact OD2-NH2 3.46Å; D406-R467 PolarHBondContact OD2-NH2 3.11Å
407A98.4Very high98Very high0 Ų033 Ų330%019%0.186CC..  trans-79.960.4-178.500000111.6V37 G40 I42 I447 G450V37-A407 HydrophobicContact CB-CB 4.19Å; V37-A407 HydrophobicContact CG1-CB 3.36Å; V37-A407 HydrophobicContact CG2-CB 3.73Å; G40-A407 PolarHBondContact O-N 3.41Å; I42-A407 HydrophobicContact CG1-CB 4.23Å; A407-I447 WeakPolarHBondContact O-CG2 3.45Å; A407-G450 PolarHBondContact O-N 2.87Å
408D98.8Very high97.9Very high7 Ų733.7 Ų33.74%0.03719%0.189CC..  trans-10196.5173.3-62.9-35.5000108.1G68 T102 K398 D406 I447 Q449G68-D408 PolarHBondContact N-O 2.97Å; T102-D408 HydrophobicContact CG2-CB 4.38Å; K398-D408 IonicContact NZ-OD2 3.63Å; K398-D408 PolarHBondContact NZ-OD2 3.4Å; D406-D408 PolarHBondContact O-N 3.02Å; D408-I447 CarbonylContact C-O 3.04Å; D408-I447 WeakPolarHBondContact CA-O 3.42Å; D408-Q449 PolarHBondContact OD1-N 3.06Å
409L98.9Very high97.8Very high1 Ų138.5 Ų38.51%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-133.7146.1-165.2-63.1173.7000111.5I19 V35 V37 I42 V65 L66 V401 I447I19-L409 HydrophobicContact CD1-CD1 3.65Å; V35-L409 HydrophobicContact CG1-CD1 4.24Å; V37-L409 HydrophobicContact CG2-CD1 4.25Å; I42-L409 HydrophobicContact CD1-CD1 4.31Å; I42-L409 HydrophobicContact CD1-CD2 4.07Å; I42-L409 HydrophobicContact CG1-CD1 4.41Å; V65-L409 HydrophobicContact CG1-CD2 4.4Å; L66-L409 WeakPolarHBondContact O-CA 3.27Å; V401-L409 HydrophobicContact CB-CD2 4.3Å; V401-L409 HydrophobicContact CG1-CD2 4.01Å; V401-L409 HydrophobicContact CG2-CD2 3.64Å; L409-I447 HydrophobicContact CB-CB 4.24Å; L409-I447 HydrophobicContact CB-CD1 4.36Å; L409-I447 PolarHBondContact N-O 3.41Å; L409-I447 PolarHBondContact O-N 3.47Å
410V98.9Very high97.8Very high0 Ų039.3 Ų39.30%022%0.217CC..EExtended strand (participates in β ladder)trans-121.1124.6172.6177.50000108.8L66 G100 W412 P443 V446L66-V410 HydrophobicContact CB-CB 4.48Å; L66-V410 PolarHBondContact N-O 2.96Å; L66-V410 PolarHBondContact O-N 2.68Å; G100-V410 WeakPolarHBondContact O-CG2 3.42Å; V410-W412 HydrophobicContact CG1-CB 4.32Å; V410-W412 HydrophobicContact CG1-CE3 3.94Å; V410-W412 PolarHBondContact O-N 3.14Å; V410-P443 HydrophobicContact CG1-CB 3.91Å; V410-V446 HydrophobicContact CG1-CG2 4.44Å; V410-V446 HydrophobicContact CG2-CG1 4.25Å; V410-V446 HydrophobicContact CG2-CG2 4.25Å
411I98.8Very high97.7Very high0 Ų038.5 Ų38.50%022%0.217CC..EExtended strand (participates in β ladder)trans-87.2103.3165.7-53.3-177.8000106.6I19 I58 A60 L63 M64 A444 V445I19-I411 HydrophobicContact CG1-CD1 4.47Å; I19-I411 HydrophobicContact CG2-CD1 3.82Å; I19-I411 HydrophobicContact CG2-CG1 4.44Å; I58-I411 HydrophobicContact CB-CD1 4.19Å; I58-I411 HydrophobicContact CG2-CD1 3.38Å; A60-I411 HydrophobicContact CB-CD1 4.35Å; A60-I411 HydrophobicContact CB-CG2 4.03Å; L63-I411 HydrophobicContact CB-CG2 3.74Å; L63-I411 HydrophobicContact CD1-CG2 3.57Å; L63-I411 HydrophobicContact CG-CG2 4.31Å; M64-I411 CarbonylContact O-C 3.48Å; M64-I411 VanDerWaalsContact O-CA 3.29Å; M64-I411 WeakPolarHBondContact O-CA 3.05Å; I411-A444 WeakPolarHBondContact O-CB 3.39Å; I411-A444 PolarHBondContact O-N 3.19Å; I411-V445 HydrophobicContact CB-CB 4.01Å; I411-V445 HydrophobicContact CB-CG2 4.46Å; I411-V445 HydrophobicContact CD1-CB 4Å; I411-V445 HydrophobicContact CD1-CG1 4.48Å; I411-V445 HydrophobicContact CD1-CG2 4.26Å; I411-V445 HydrophobicContact CG1-CB 4.15Å; I411-V445 PolarHBondContact N-O 2.86Å; I411-V445 PolarHBondContact O-N 3.03Å
412W98.7Very high97.6Very high0 Ų039.5 Ų39.50%023%0.226CC..EExtended strand (participates in β ladder)trans-95.8129.3-172.9-171.3-101.8000110.8M64 L66 M362 W366 V410 P414 A442 P443M64-W412 HydrophobicContact CB-CB 4.34Å; M64-W412 PolarHBondContact N-O 2.98Å; M64-W412 PolarHBondContact O-N 3.39Å; L66-W412 HydrophobicContact CD1-CB 3.66Å; L66-W412 HydrophobicContact CD1-CD2 4.28Å; L66-W412 HydrophobicContact CD1-CG 3.89Å; L66-W412 HydrophobicContact CG-CB 3.95Å; M362-W412 HydrophobicContact CB-CH2 3.98Å; M362-W412 HydrophobicContact CB-CZ3 4Å; W366-W412 HydrophobicContact CB-CZ2 3.78Å; W366-W412 AromaticContact CD2-CE2 3.89Å; W366-W412 HydrophobicContact CD2-CZ2 4.01Å; W366-W412 AromaticContact CD2-NE1 3.28Å; W366-W412 VanDerWaalsContact CD2-NE1 3.28Å; W366-W412 AromaticContact CE2-NE1 3.53Å; W366-W412 AromaticContact CE3-CE2 3.89Å; W366-W412 HydrophobicContact CE3-CZ2 4.23Å; W366-W412 AromaticContact CE3-NE1 3.31Å; W366-W412 VanDerWaalsContact CE3-NE1 3.31Å; W366-W412 AromaticContact CG-CZ2 3.8Å; W366-W412 HydrophobicContact CG-CZ2 3.8Å; W366-W412 AromaticContact CG-NE1 3.93Å; W366-W412 AromaticContact CH2-NE1 3.88Å; W366-W412 AromaticContact CZ2-NE1 3.83Å; W366-W412 AromaticContact CZ3-CD1 3.88Å; W366-W412 AromaticContact CZ3-NE1 3.62Å; V410-W412 HydrophobicContact CG1-CB 4.32Å; V410-W412 HydrophobicContact CG1-CE3 3.94Å; V410-W412 PolarHBondContact O-N 3.14Å; W412-P414 VanDerWaalsContact O-CD 3.3Å; W412-P414 WeakPolarHBondContact O-CD 3.22Å; W412-A442 VanDerWaalsContact CE3-C 3.5Å; W412-P443 HydrophobicContact CE3-CB 4.36Å; W412-P443 HydrophobicContact CZ3-CB 4.41Å; W412-P443 HydrophobicContact CZ3-CG 4.44Å
413N97.9Very high97.6Very high47 Ų4747.9 Ų47.925%0.25126%0.258SS..EExtended strand (participates in β ladder)trans-99.8101.1173-175.9-7.8000109.9L63 K415 A416 G441 A442 A444L63-N413 HydrophobicContact CD2-CB 3.78Å; N413-K415 PolarHBondContact O-N 3.48Å; N413-K415 PolarHBondContact OD1-N 2.96Å; N413-A416 HydrophobicContact CB-CB 3.98Å; N413-A416 PolarHBondContact O-N 3.29Å; N413-A416 PolarHBondContact OD1-N 3.21Å; N413-G441 WeakPolarHBondContact O-CA 3.4Å; N413-A442 PolarHBondContact N-O 3.42Å; N413-A442 PolarHBondContact O-N 2.83Å; N413-A442 VanDerWaalsContact O-N 3.15Å; N413-A444 HydrophobicContact CB-CB 4.31Å
414P96Very high97.4Very high32 Ų3247.3 Ų47.321%0.20826%0.258CS..EExtended strand (participates in β ladder)trans-71.2-12.2-178.832.2-38.6000113.8M64 W366 W412M64-P414 HydrophobicContact CE-CB 3.81Å; M64-P414 HydrophobicContact CE-CG 3.74Å; W366-P414 HydrophobicContact CH2-CB 4.26Å; W366-P414 HydrophobicContact CZ2-CB 3.59Å; W412-P414 VanDerWaalsContact O-CD 3.3Å; W412-P414 WeakPolarHBondContact O-CD 3.22Å
415K94.4Very high97.3Very high182 Ų18246.2 Ų46.279%0.79124%0.238SC*.EExtended strand (participates in β ladder)trans-99-5.4178.7-59.2178.7-176.41750112.8N413N413-K415 PolarHBondContact O-N 3.48Å; N413-K415 PolarHBondContact OD1-N 2.96Å
416A95.8Very high97.2Very high24 Ų2448 Ų4820%0.19825%0.248CC..EExtended strand (participates in β ladder)trans-70.9142.7171.600000109.6N413 R440 G441 A442N413-A416 HydrophobicContact CB-CB 3.98Å; N413-A416 PolarHBondContact O-N 3.29Å; N413-A416 PolarHBondContact OD1-N 3.21Å; A416-R440 CarbonylContact O-C 3.49Å; A416-R440 WeakPolarHBondContact O-CA 3.29Å; A416-G441 PolarHBondContact O-N 2.87Å; A416-A442 HydrophobicContact CB-CB 3.88Å
417T95.9Very high97.1Very high78 Ų7848.3 Ų48.348%0.47925%0.249SC..EExtended strand (participates in β ladder)trans-117.3135170.5-63.30000108.2E438 C439T417-E438 HydrophobicContact CG2-CG 3.41Å; T417-E438 VanDerWaalsContact CG2-CG 3.41Å; T417-E438 WeakPolarHBondContact CG2-OE1 3.37Å; T417-C439 WeakPolarHBondContact CA-O 3.19Å
418R94.6Very high97.1Very high104 Ų10452.2 Ų52.239%0.39227%0.27SS..EExtended strand (participates in β ladder)trans-131.1138.6171.7-73.9-173.7170.8177.20.9109.7C439 A442R418-C439 PolarHBondContact N-O 2.93Å; R418-C439 PolarHBondContact O-N 3.44Å; R418-A442 HydrophobicContact CG-CB 4.24Å
419I97.3Very high97Very high108 Ų10852.4 Ų52.455%0.55427%0.272SS*.EExtended strand (participates in β ladder)trans-95.8123.4166.5-59174.2000106.6V437 E438I419-V437 WeakPolarHBondContact CA-O 3.14Å; I419-E438 HydrophobicContact CG1-CB 4.4Å; I419-E438 HydrophobicContact CG1-CG 4.36Å
420I97.9Very high96.9Very high20 Ų2057.3 Ų57.310%0.10330%0.295CS..  trans-71130.6178.6-62.4168.8000109E360 V364 N432 F434 G436 V437E360-I420 HydrophobicContact CB-CD1 4.16Å; E360-I420 HydrophobicContact CG-CD1 4.01Å; E360-I420 HydrophobicContact CG-CG2 4.02Å; V364-I420 HydrophobicContact CG2-CD1 4.02Å; I420-N432 WeakPolarHBondContact CG2-ND2 3.32Å; I420-F434 HydrophobicContact CB-CB 4.38Å; I420-F434 WeakPolarHBondContact CB-O 3.23Å; I420-F434 HydrophobicContact CD1-CB 3.85Å; I420-F434 HydrophobicContact CG2-CB 4.05Å; I420-G436 PolarHBondContact O-N 2.62Å; I420-V437 HydrophobicContact CD1-CB 4.42Å; I420-V437 PolarHBondContact N-O 3.43Å
421S97.8Very high96.8Very high21 Ų2160.9 Ų60.915%0.14731%0.309CS..  trans-150.9141.1175.4-176.20000112.2K423 S424 H425 E435S421-K423 PolarHBondContact O-N 2.88Å; S421-K423 VanDerWaalsContact O-N 3.14Å; S421-K423 PolarHBondContact OG-N 3.02Å; S421-S424 PolarHBondContact O-N 3.41Å; S421-S424 PolarHBondContact O-OG 3.34Å; S421-H425 PolarHBondContact O-N 3.44Å; S421-E435 WeakPolarHBondContact CA-OE1 3.32Å; S421-E435 WeakPolarHBondContact CA-OE2 3.45Å; S421-E435 VanDerWaalsContact CB-OE1 3.26Å; S421-E435 WeakPolarHBondContact CB-OE1 3.42Å; S421-E435 PolarHBondContact OG-OE1 2.85Å
422A97.3Very high96.7Very high24 Ų2461.2 Ų61.220%0.19831%0.31CS..THydrogen-bonded Turntrans-59.5-17.8170.500000113.3S424 H425 N432 E435A422-S424 VanDerWaalsContact C-N 3.26Å; A422-S424 PolarHBondContact O-N 3.05Å; A422-H425 WeakPolarHBondContact CA-NE2 3.44Å; A422-H425 PolarHBondContact O-CD2 2.76Å; A422-H425 PolarHBondContact O-NE2 2.88Å; A422-H425 VanDerWaalsContact O-NE2 3.17Å; A422-N432 HydrophobicContact CB-CB 4.17Å; A422-E435 PolarHBondContact N-OE2 2.95Å
423K96.9Very high96.7Very high200 Ų20061.4 Ų61.487%0.8731%0.311SS*.THydrogen-bonded Turntrans-74.7-14.2174.4-64.2-180-176.9173.70114S421S421-K423 PolarHBondContact O-N 2.88Å; S421-K423 VanDerWaalsContact O-N 3.14Å; S421-K423 PolarHBondContact OG-N 3.02Å
424S94.8Very high96.7Very high81 Ų8159.2 Ų59.257%0.56630%0.3SS*.THydrogen-bonded Turntrans-134.5-5.8-17253.50000114.7S421 A422S421-S424 PolarHBondContact O-N 3.41Å; S421-S424 PolarHBondContact O-OG 3.34Å; A422-S424 VanDerWaalsContact C-N 3.26Å; A422-S424 PolarHBondContact O-N 3.05Å
425H96.8Very high96.8Very high29 Ų2962.3 Ų62.313%0.13431%0.311CS..SBendtrans-70.9167.3173.469.3178.2000112.1S421 A422 L427 V429 N432S421-H425 PolarHBondContact O-N 3.44Å; A422-H425 WeakPolarHBondContact CA-NE2 3.44Å; A422-H425 PolarHBondContact O-CD2 2.76Å; A422-H425 PolarHBondContact O-NE2 2.88Å; A422-H425 VanDerWaalsContact O-NE2 3.17Å; H425-L427 HydrophobicContact CB-CG 4.5Å; H425-V429 PolarHBondContact CE1-O 2.82Å; H425-V429 VanDerWaalsContact CE1-O 3.22Å; H425-V429 PolarHBondContact NE2-O 3.26Å; H425-N432 PolarHBondContact ND1-ND2 3.19Å
426N96.8Very high96.9Very high42 Ų4256.1 Ų56.123%0.22530%0.299CS..SBendtrans-102.939.9178.1-69-93000111Q91 A95 A98 E359Q91-N426 VanDerWaalsContact NE2-C 3.35Å; Q91-N426 PolarHBondContact NE2-O 3.04Å; A95-N426 HydrophobicContact CB-CB 4.19Å; A95-N426 WeakPolarHBondContact CB-O 3.49Å; A98-N426 HydrophobicContact CB-CB 4.3Å; A98-N426 WeakPolarHBondContact CB-ND2 3.47Å; E359-N426 PolarHBondContact OE1-ND2 3.19Å; E359-N426 WeakPolarHBondContact OE2-CA 3.33Å; E359-N426 WeakPolarHBondContact OE2-CB 3.35Å; E359-N426 PolarHBondContact OE2-N 2.81Å
427L97.4Very high96.9Very high14 Ų1456.8 Ų56.87%0.07330%0.3CS..SBendtrans-117.8163.7179.9-54.8177.6000111.6D87 A95 N356 I358 H425 V429D87-L427 WeakPolarHBondContact OD1-CA 3.39Å; A95-L427 HydrophobicContact CB-CD2 3.43Å; A95-L427 VanDerWaalsContact CB-CD2 3.43Å; A95-L427 HydrophobicContact CB-CG 4.46Å; N356-L427 HydrophobicContact CB-CD1 3.52Å; I358-L427 HydrophobicContact CG2-CD2 4.07Å; H425-L427 HydrophobicContact CB-CG 4.5Å; L427-V429 HydrophobicContact CB-CG2 4.18Å; L427-V429 HydrophobicContact CD1-CG2 4.47Å
428N97.5Very high97Very high83 Ų8358.3 Ų58.344%0.44430%0.302SS..SBendtrans-947.5-179.7-72.2-20.3000114.2A86 D87A86-N428 HydrophobicContact CB-CB 4.31Å; A86-N428 WeakPolarHBondContact O-CB 3.32Å; A86-N428 PolarHBondContact O-ND2 3.22Å; D87-N428 WeakPolarHBondContact OD1-CB 3.28Å; D87-N428 PolarHBondContact OD1-N 2.8Å
429V96.7Very high97.1Very high11 Ų1153.4 Ų53.47%0.06728%0.284CS..  trans-106.8144.6-176.3-71.60000113.5A86 T335 F336 H425 L427 Y431A86-V429 HydrophobicContact CB-CG1 3.67Å; T335-V429 HydrophobicContact CG2-CG1 4.29Å; T335-V429 HydrophobicContact CG2-CG2 4.12Å; F336-V429 WeakPolarHBondContact O-CG1 3.24Å; H425-V429 PolarHBondContact CE1-O 2.82Å; H425-V429 VanDerWaalsContact CE1-O 3.22Å; H425-V429 PolarHBondContact NE2-O 3.26Å; L427-V429 HydrophobicContact CB-CG2 4.18Å; L427-V429 HydrophobicContact CD1-CG2 4.47Å; V429-Y431 VanDerWaalsContact C-N 3.29Å; V429-Y431 WeakPolarHBondContact CG2-O 3.44Å; V429-Y431 PolarHBondContact O-N 2.67Å
430E96.6Very high97.1Very high104 Ų10452.8 Ų52.849%0.48628%0.275SS..SBendtrans-78.2-13.2-173.6-4489.5159.300113.9T338T338-E430 WeakPolarHBondContact CB-OE2 3.36Å; T338-E430 PolarHBondContact N-OE2 3.36Å; T338-E430 PolarHBondContact OG1-OE2 3.01Å
431Y95.9Very high97Very high75 Ų7551.9 Ų51.929%0.29427%0.27SS..  trans-120.3139.3178.1-77.1-88.7000111.2N294 A296 K297 A300 T338 V429N294-Y431 PolarHBondContact ND2-OH 2.75Å; A296-Y431 HydrophobicContact CB-CE2 3.75Å; K297-Y431 HydrophobicContact CB-CD1 4.45Å; K297-Y431 HydrophobicContact CB-CE1 3.9Å; K297-Y431 HydrophobicContact CG-CE1 4.48Å; A300-Y431 HydrophobicContact CB-CG 4.16Å; T338-Y431 HydrophobicContact CG2-CE2 4.48Å; T338-Y431 WeakPolarHBondContact OG1-CD2 3.38Å; V429-Y431 VanDerWaalsContact C-N 3.29Å; V429-Y431 WeakPolarHBondContact CG2-O 3.44Å; V429-Y431 PolarHBondContact O-N 2.67Å
432N98.2Very high97Very high6 Ų651 Ų513%0.03226%0.264CS..  trans-111.4126.6167-163.9-44.6000108.6N356 E360 I420 A422 H425 F434 E435N356-N432 PolarHBondContact ND2-ND2 3.29Å; N356-N432 PolarHBondContact ND2-OD1 3.32Å; N356-N432 WeakPolarHBondContact OD1-CA 3.17Å; E360-N432 PolarHBondContact OE1-ND2 3.21Å; I420-N432 WeakPolarHBondContact CG2-ND2 3.32Å; A422-N432 HydrophobicContact CB-CB 4.17Å; H425-N432 PolarHBondContact ND1-ND2 3.19Å; N432-F434 PolarHBondContact O-N 3.17Å; N432-F434 VanDerWaalsContact O-N 3.12Å; N432-F434 WeakPolarHBondContact OD1-CD2 3.37Å; N432-F434 PolarHBondContact OD1-N 3.32Å; N432-E435 WeakPolarHBondContact O-CB 3.24Å; N432-E435 PolarHBondContact O-N 2.93Å; N432-E435 VanDerWaalsContact O-N 3.08Å
433I98.2Very high97Very high5 Ų550 Ų503%0.02626%0.255CS..THydrogen-bonded Turntrans-68.3-9.2179.965.9162.6000113.5A281 T285 A300 F301 T355 N356A281-I433 HydrophobicContact CB-CD1 3.65Å; T285-I433 HydrophobicContact CG2-CD1 4.1Å; T285-I433 PolarHBondContact OG1-O 3.43Å; A300-I433 WeakPolarHBondContact O-CG2 3.34Å; F301-I433 HydrophobicContact CD1-CB 4.09Å; F301-I433 HydrophobicContact CD1-CG2 4.11Å; F301-I433 HydrophobicContact CD2-CG2 4.1Å; F301-I433 HydrophobicContact CE1-CB 3.6Å; F301-I433 HydrophobicContact CE1-CG2 4.05Å; F301-I433 HydrophobicContact CE2-CB 4.2Å; F301-I433 HydrophobicContact CE2-CG2 4.05Å; F301-I433 HydrophobicContact CG-CG2 4.12Å; F301-I433 HydrophobicContact CZ-CB 3.66Å; F301-I433 HydrophobicContact CZ-CG2 4.02Å; F301-I433 VanDerWaalsContact CZ-O 3.3Å; F301-I433 WeakPolarHBondContact CZ-O 3.47Å; T355-I433 HydrophobicContact CG2-CD1 4.02Å; T355-I433 HydrophobicContact CG2-CG2 4.12Å; N356-I433 PolarHBondContact OD1-N 2.86Å
434F98.3Very high97Very high1 Ų142 Ų420%0.00423%0.227CC..THydrogen-bonded Turntrans-110.320174.4-42.5-73.9000112.6T280 T285 E360 V364 I420 N432 G436 V437T280-F434 HydrophobicContact CG2-CE1 4.23Å; T280-F434 HydrophobicContact CG2-CE2 3.79Å; T280-F434 HydrophobicContact CG2-CZ 3.52Å; T280-F434 WeakPolarHBondContact O-CE1 3.47Å; T280-F434 WeakPolarHBondContact O-CZ 3.49Å; T285-F434 HydrophobicContact CG2-CD1 4.33Å; T285-F434 HydrophobicContact CG2-CE1 3.94Å; E360-F434 HydrophobicContact CB-CD2 3.92Å; E360-F434 HydrophobicContact CB-CE2 4.16Å; E360-F434 HydrophobicContact CG-CD2 3.82Å; E360-F434 HydrophobicContact CG-CE2 4.38Å; V364-F434 HydrophobicContact CG2-CD1 4.47Å; V364-F434 HydrophobicContact CG2-CG 4.5Å; I420-F434 HydrophobicContact CB-CB 4.38Å; I420-F434 WeakPolarHBondContact CB-O 3.23Å; I420-F434 HydrophobicContact CD1-CB 3.85Å; I420-F434 HydrophobicContact CG2-CB 4.05Å; N432-F434 PolarHBondContact O-N 3.17Å; N432-F434 VanDerWaalsContact O-N 3.12Å; N432-F434 WeakPolarHBondContact OD1-CD2 3.37Å; N432-F434 PolarHBondContact OD1-N 3.32Å; F434-G436 PolarHBondContact O-N 3.21Å; F434-V437 HydrophobicContact CB-CB 4.3Å; F434-V437 HydrophobicContact CB-CG2 4.07Å; F434-V437 VanDerWaalsContact O-CB 3.3Å; F434-V437 WeakPolarHBondContact O-CB 2.98Å; F434-V437 VanDerWaalsContact O-CG2 3.31Å; F434-V437 WeakPolarHBondContact O-CG2 3.37Å; F434-V437 PolarHBondContact O-N 3.06Å
435E97.6Very high97.2Very high97 Ų9738.8 Ų38.845%0.45320%0.204SC..THydrogen-bonded Turntrans-52.1121.9180-171.671.1-150.600112.3S421 A422 N432 V437S421-E435 WeakPolarHBondContact CA-OE1 3.32Å; S421-E435 WeakPolarHBondContact CA-OE2 3.45Å; S421-E435 VanDerWaalsContact CB-OE1 3.26Å; S421-E435 WeakPolarHBondContact CB-OE1 3.42Å; S421-E435 PolarHBondContact OG-OE1 2.85Å; A422-E435 PolarHBondContact N-OE2 2.95Å; N432-E435 WeakPolarHBondContact O-CB 3.24Å; N432-E435 PolarHBondContact O-N 2.93Å; N432-E435 VanDerWaalsContact O-N 3.08Å; E435-V437 VanDerWaalsContact C-N 3.34Å
436G96.6Very high97.3Very high52 Ų5237.4 Ų37.454%0.53620%0.197SC..THydrogen-bonded Turntrans84.1-1.8-179.700000115.2I420 F434 E438I420-G436 PolarHBondContact O-N 2.62Å; F434-G436 PolarHBondContact O-N 3.21Å; G436-E438 PolarHBondContact O-N 3.24Å
437V96.1Very high97.4Very high37 Ų3735.4 Ų35.422%0.22419%0.187CC..  trans-69.5123.11741770000109.5I419 I420 F434 E435I419-V437 WeakPolarHBondContact CA-O 3.14Å; I420-V437 HydrophobicContact CD1-CB 4.42Å; I420-V437 PolarHBondContact N-O 3.43Å; F434-V437 HydrophobicContact CB-CB 4.3Å; F434-V437 HydrophobicContact CB-CG2 4.07Å; F434-V437 VanDerWaalsContact O-CB 3.3Å; F434-V437 WeakPolarHBondContact O-CB 2.98Å; F434-V437 VanDerWaalsContact O-CG2 3.31Å; F434-V437 WeakPolarHBondContact O-CG2 3.37Å; F434-V437 PolarHBondContact O-N 3.06Å; E435-V437 VanDerWaalsContact C-N 3.34Å
438E97.3Very high97.5Very high110 Ų11035 Ų3551%0.51419%0.185SC..EExtended strand (participates in β ladder)trans-83.9120.7171-171.4178.8144.600109.6T417 I419 G436T417-E438 HydrophobicContact CG2-CG 3.41Å; T417-E438 VanDerWaalsContact CG2-CG 3.41Å; T417-E438 WeakPolarHBondContact CG2-OE1 3.37Å; I419-E438 HydrophobicContact CG1-CB 4.4Å; I419-E438 HydrophobicContact CG1-CG 4.36Å; G436-E438 PolarHBondContact O-N 3.24Å
439C97.4Very high97.4Very high1 Ų132.2 Ų32.21%0.00717%0.169CC..EExtended strand (participates in β ladder)trans-113.8129.2172.9-65.20000110.4E367 T417 R418E367-C439 HydrophobicContact CB-CB 4.02Å; E367-C439 HydrophobicContact CG-CB 4.46Å; T417-C439 WeakPolarHBondContact CA-O 3.19Å; R418-C439 PolarHBondContact N-O 2.93Å; R418-C439 PolarHBondContact O-N 3.44Å
440R97.2Very high97.5Very high96 Ų9631.7 Ų31.736%0.36217%0.166SC..EExtended strand (participates in β ladder)trans-79.4151.9161.2-64.7163.7-72.7163.1-2.2108.9E367 A371 A416E367-R440 IonicContact OE1-CZ 2.66Å; E367-R440 IonicContact OE1-NE 3.45Å; E367-R440 PolarHBondContact OE1-NE 2.89Å; E367-R440 IonicContact OE1-NH2 3.75Å; E367-R440 PolarHBondContact OE1-NH2 3.42Å; E367-R440 WeakPolarHBondContact OE2-CB 3.24Å; E367-R440 IonicContact OE2-CZ 3.97Å; E367-R440 PolarHBondContact OE2-N 2.97Å; E367-R440 IonicContact OE2-NE 3.56Å; E367-R440 PolarHBondContact OE2-NE 3.34Å; E367-R440 IonicContact OE2-NH2 3.08Å; E367-R440 PolarHBondContact OE2-NH2 2.82Å; A371-R440 HydrophobicContact CB-CB 4.25Å; A371-R440 PolarHBondContact O-NH1 3.38Å; A371-R440 PolarHBondContact O-NH2 3.23Å; A416-R440 CarbonylContact O-C 3.49Å; A416-R440 WeakPolarHBondContact O-CA 3.29Å
441G96.1Very high97.5Very high0 Ų032.5 Ų32.50%017%0.165CC..EExtended strand (participates in β ladder)trans80.5128.7-173.500000112.3N413 A416N413-G441 WeakPolarHBondContact O-CA 3.4Å; A416-G441 PolarHBondContact O-N 2.87Å
442A96.9Very high97.6Very high3 Ų329.9 Ų29.93%0.02516%0.157CC..EExtended strand (participates in β ladder)trans-152.8154.417400000111.7W412 N413 A416 R418 A444W412-A442 VanDerWaalsContact CE3-C 3.5Å; N413-A442 PolarHBondContact N-O 3.42Å; N413-A442 PolarHBondContact O-N 2.83Å; N413-A442 VanDerWaalsContact O-N 3.15Å; A416-A442 HydrophobicContact CB-CB 3.88Å; R418-A442 HydrophobicContact CG-CB 4.24Å; A442-A444 PolarHBondContact O-N 3.41Å
443P97.8Very high97.6Very high2 Ų230.2 Ų30.21%0.01316%0.159CC..EExtended strand (participates in β ladder)trans-69123.2169.629.6-32.6000109.7A98 V410 W412 V446 L454A98-P443 VanDerWaalsContact O-CG 3.27Å; A98-P443 WeakPolarHBondContact O-CG 3.46Å; V410-P443 HydrophobicContact CG1-CB 3.91Å; W412-P443 HydrophobicContact CE3-CB 4.36Å; W412-P443 HydrophobicContact CZ3-CB 4.41Å; W412-P443 HydrophobicContact CZ3-CG 4.44Å; P443-V446 HydrophobicContact CB-CG2 3.68Å; P443-L454 HydrophobicContact CB-CD2 4.28Å; P443-L454 HydrophobicContact CG-CD2 4.19Å
444A97.6Very high97.6Very high34 Ų3430.2 Ų30.228%0.28116%0.159SC..EExtended strand (participates in β ladder)trans-89.5-41.8172.400000111L63 I411 N413 A442L63-A444 HydrophobicContact CD1-CB 4.43Å; I411-A444 WeakPolarHBondContact O-CB 3.39Å; I411-A444 PolarHBondContact O-N 3.19Å; N413-A444 HydrophobicContact CB-CB 4.31Å; A442-A444 PolarHBondContact O-N 3.41Å
445V98.6Very high97.5Very high13 Ų1332.1 Ų32.18%0.07917%0.168CC..EExtended strand (participates in β ladder)trans-136.8138.7173.3-172.20000108.7I58 I411 I447 V452 L454 E455I58-V445 HydrophobicContact CD1-CG1 4.39Å; I58-V445 HydrophobicContact CG2-CG2 4.1Å; I411-V445 HydrophobicContact CB-CB 4.01Å; I411-V445 HydrophobicContact CB-CG2 4.46Å; I411-V445 HydrophobicContact CD1-CB 4Å; I411-V445 HydrophobicContact CD1-CG1 4.48Å; I411-V445 HydrophobicContact CD1-CG2 4.26Å; I411-V445 HydrophobicContact CG1-CB 4.15Å; I411-V445 PolarHBondContact N-O 2.86Å; I411-V445 PolarHBondContact O-N 3.03Å; V445-I447 HydrophobicContact CG1-CG1 4.28Å; V445-V452 HydrophobicContact CG1-CG1 3.86Å; V445-V452 HydrophobicContact CG1-CG2 4.42Å; V445-L454 CarbonylContact C-O 3.53Å; V445-L454 VanDerWaalsContact CA-O 3.25Å; V445-L454 WeakPolarHBondContact CA-O 3.07Å; V445-L454 VanDerWaalsContact CG1-O 3.3Å; V445-L454 WeakPolarHBondContact CG1-O 3.33Å; V445-E455 HydrophobicContact CG2-CG 4.38Å
446V98.8Very high97.1Very high0 Ų034.1 Ų34.10%018%0.181CC..EExtended strand (participates in β ladder)trans-123.2133.8172.8-176.20000108.9L97 T102 V410 P443 V453 L454L97-V446 HydrophobicContact CD2-CG1 4.13Å; L97-V446 WeakPolarHBondContact O-CG2 3.33Å; T102-V446 HydrophobicContact CG2-CG1 3.8Å; V410-V446 HydrophobicContact CG1-CG2 4.44Å; V410-V446 HydrophobicContact CG2-CG1 4.25Å; V410-V446 HydrophobicContact CG2-CG2 4.25Å; P443-V446 HydrophobicContact CB-CG2 3.68Å; V446-V453 HydrophobicContact CB-CG2 4.23Å; V446-V453 HydrophobicContact CG1-CG2 4.03Å; V446-V453 WeakPolarHBondContact O-CG2 3.4Å; V446-V453 PolarHBondContact O-N 2.89Å; V446-L454 HydrophobicContact CB-CB 3.88Å; V446-L454 HydrophobicContact CG2-CB 4.03Å; V446-L454 HydrophobicContact CG2-CD2 3.94Å; V446-L454 PolarHBondContact N-O 3.16Å; V446-L454 PolarHBondContact O-N 2.93Å
447I98.8Very high96.8Very high0 Ų034.3 Ų34.30%018%0.183CC..EExtended strand (participates in β ladder)trans-121.2125.5-177.3-55.5169.2000107L17 I19 I58 A407 D408 L409 V445 R451 V452L17-I447 HydrophobicContact CD1-CD1 3.97Å; L17-I447 HydrophobicContact CD1-CG1 4.25Å; L17-I447 HydrophobicContact CD1-CG2 3.79Å; I19-I447 HydrophobicContact CD1-CD1 3.64Å; I19-I447 HydrophobicContact CG1-CD1 4.19Å; I58-I447 HydrophobicContact CD1-CD1 3.84Å; A407-I447 WeakPolarHBondContact O-CG2 3.45Å; D408-I447 CarbonylContact C-O 3.04Å; D408-I447 WeakPolarHBondContact CA-O 3.42Å; L409-I447 HydrophobicContact CB-CB 4.24Å; L409-I447 HydrophobicContact CB-CD1 4.36Å; L409-I447 PolarHBondContact N-O 3.41Å; L409-I447 PolarHBondContact O-N 3.47Å; V445-I447 HydrophobicContact CG1-CG1 4.28Å; I447-R451 CarbonylContact C-O 3.47Å; I447-R451 WeakPolarHBondContact CA-O 3.34Å; I447-V452 HydrophobicContact CG1-CG2 4.27Å
448S98.4Very high96.7Very high5 Ų538.9 Ų38.94%0.03520%0.2CC..EExtended strand (participates in β ladder)trans-125.3126.2178.6177.70000108G450 R451S448-G450 PolarHBondContact O-N 3.23Å; S448-G450 VanDerWaalsContact O-N 3.13Å; S448-R451 PolarHBondContact N-O 3.19Å; S448-R451 PolarHBondContact O-N 3.49Å
449Q97.3Very high96.7Very high25 Ų2535.7 Ų35.712%0.11719%0.186CC..THydrogen-bonded Turntrans49.737-174.4-49.6176.127.100113.2G40 D134 D408 R451 A465G40-Q449 WeakPolarHBondContact CA-O 3.45Å; D134-Q449 PolarHBondContact OD1-NE2 2.65Å; D408-Q449 PolarHBondContact OD1-N 3.06Å; Q449-R451 VanDerWaalsContact C-N 3.29Å; Q449-R451 PolarHBondContact O-N 2.72Å; Q449-A465 PolarHBondContact NE2-O 3.43Å
450G96.9Very high96.6Very high0 Ų040.9 Ų40.90%021%0.209CC..THydrogen-bonded Turntrans73.68.9-177.800000116.2L17 A407 S448L17-G450 WeakPolarHBondContact CD1-O 3.47Å; A407-G450 PolarHBondContact O-N 2.87Å; S448-G450 PolarHBondContact O-N 3.23Å; S448-G450 VanDerWaalsContact O-N 3.13Å
451R97.2Very high96.5Very high120 Ų12038.1 Ų38.145%0.45320%0.202SC..EExtended strand (participates in β ladder)trans-106135.8173.1-65.5178.6179.5136.512.1110.8D15 I447 S448 Q449 V453D15-R451 HydrophobicContact CB-CG 4.25Å; D15-R451 IonicContact OD1-NE 3.75Å; D15-R451 IonicContact OD2-CZ 3.64Å; D15-R451 VanDerWaalsContact OD2-CZ 3.25Å; D15-R451 IonicContact OD2-NE 3.7Å; D15-R451 PolarHBondContact OD2-NE 3.13Å; D15-R451 IonicContact OD2-NH2 2.75Å; D15-R451 PolarHBondContact OD2-NH2 3.47Å; I447-R451 CarbonylContact C-O 3.47Å; I447-R451 WeakPolarHBondContact CA-O 3.34Å; S448-R451 PolarHBondContact N-O 3.19Å; S448-R451 PolarHBondContact O-N 3.49Å; Q449-R451 VanDerWaalsContact C-N 3.29Å; Q449-R451 PolarHBondContact O-N 2.72Å; R451-V453 PolarHBondContact O-N 3.31Å
452V97.8Very high96.5Very high21 Ų2142.7 Ų42.713%0.12723%0.23CC..EExtended strand (participates in β ladder)trans-69.4115.9171.2178.20000108.9L17 K56 I58 V445 I447 E455L17-V452 HydrophobicContact CD1-CG2 3.87Å; L17-V452 HydrophobicContact CD2-CG2 4.18Å; K56-V452 HydrophobicContact CD-CG2 4.37Å; I58-V452 HydrophobicContact CD1-CG2 3.7Å; V445-V452 HydrophobicContact CG1-CG1 3.86Å; V445-V452 HydrophobicContact CG1-CG2 4.42Å; I447-V452 HydrophobicContact CG1-CG2 4.27Å; V452-E455 HydrophobicContact CG1-CB 3.69Å; V452-E455 HydrophobicContact CG1-CG 4.49Å
453V98.2Very high96.5Very high12 Ų1246 Ų467%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-114-15.1-177.7-67.50000113.4L97 V446 R451 M459 F460 V461L97-V453 HydrophobicContact CB-CG2 4.46Å; L97-V453 HydrophobicContact CD1-CB 4.28Å; L97-V453 HydrophobicContact CD1-CG2 4.03Å; L97-V453 HydrophobicContact CD2-CG2 3.83Å; L97-V453 HydrophobicContact CG-CG2 4.34Å; V446-V453 HydrophobicContact CB-CG2 4.23Å; V446-V453 HydrophobicContact CG1-CG2 4.03Å; V446-V453 WeakPolarHBondContact O-CG2 3.4Å; V446-V453 PolarHBondContact O-N 2.89Å; R451-V453 PolarHBondContact O-N 3.31Å; V453-M459 CarbonylContact O-C 3.48Å; V453-M459 WeakPolarHBondContact O-CA 3.45Å; V453-F460 PolarHBondContact O-N 3.34Å; V453-V461 HydrophobicContact CB-CG1 4.25Å
454L98.1Very high96.5Very high5 Ų547.5 Ų47.53%0.02627%0.267CS..EExtended strand (participates in β ladder)trans-135.3131.6163.9174.260.5000108.7P443 V445 V446 K458 M459P443-L454 HydrophobicContact CB-CD2 4.28Å; P443-L454 HydrophobicContact CG-CD2 4.19Å; V445-L454 CarbonylContact C-O 3.53Å; V445-L454 VanDerWaalsContact CA-O 3.25Å; V445-L454 WeakPolarHBondContact CA-O 3.07Å; V445-L454 VanDerWaalsContact CG1-O 3.3Å; V445-L454 WeakPolarHBondContact CG1-O 3.33Å; V446-L454 HydrophobicContact CB-CB 3.88Å; V446-L454 HydrophobicContact CG2-CB 4.03Å; V446-L454 HydrophobicContact CG2-CD2 3.94Å; V446-L454 PolarHBondContact N-O 3.16Å; V446-L454 PolarHBondContact O-N 2.93Å; L454-K458 WeakPolarHBondContact CA-O 3.41Å; L454-K458 WeakPolarHBondContact CD1-O 3.37Å; L454-M459 HydrophobicContact CB-SD 4.03Å; L454-M459 HydrophobicContact CD1-SD 3.72Å; L454-M459 HydrophobicContact CG-SD 4.31Å
455E96.4Very high96.5Very high42 Ų4247.4 Ų47.420%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-156.9141.5170.3-176.6174.5-103.200109K56 V445 V452 G457 K458 F460K56-E455 WeakPolarHBondContact CE-OE1 3.15Å; K56-E455 IonicContact NZ-OE1 3.01Å; K56-E455 PolarHBondContact NZ-OE1 2.87Å; K56-E455 IonicContact NZ-OE2 3.78Å; K56-E455 PolarHBondContact NZ-OE2 3.25Å; V445-E455 HydrophobicContact CG2-CG 4.38Å; V452-E455 HydrophobicContact CG1-CB 3.69Å; V452-E455 HydrophobicContact CG1-CG 4.49Å; E455-G457 PolarHBondContact O-N 3.5Å; E455-G457 VanDerWaalsContact O-N 3.08Å; E455-K458 PolarHBondContact N-O 3.33Å; E455-K458 VanDerWaalsContact N-O 3.13Å; E455-K458 WeakPolarHBondContact O-CB 3.12Å; E455-K458 PolarHBondContact O-N 3.13Å; E455-F460 HydrophobicContact CB-CE2 4.14Å
456D90.1Very high96.4Very high138 Ų13847 Ų4774%0.73827%0.265SS*.THydrogen-bonded Turntrans49.833.7-177.1-62-27.7000114.6K458D456-K458 PolarHBondContact O-N 2.56Å
457G89.8Confident96.4Very high56 Ų5651.2 Ų51.258%0.57728%0.281SS*.THydrogen-bonded Turntrans71.79.1-176.700000115.1E455E455-G457 PolarHBondContact O-N 3.5Å; E455-G457 VanDerWaalsContact O-N 3.08Å
458K94.9Very high96.4Very high133 Ų13352.6 Ų52.658%0.57829%0.287SS*.EExtended strand (participates in β ladder)trans-105.3134.6178.4-63.6170.1-173.3164.30110.8L454 E455 D456 F460L454-K458 WeakPolarHBondContact CA-O 3.41Å; L454-K458 WeakPolarHBondContact CD1-O 3.37Å; E455-K458 PolarHBondContact N-O 3.33Å; E455-K458 VanDerWaalsContact N-O 3.13Å; E455-K458 WeakPolarHBondContact O-CB 3.12Å; E455-K458 PolarHBondContact O-N 3.13Å; D456-K458 PolarHBondContact O-N 2.56Å; K458-F460 HydrophobicContact CB-CE2 3.86Å; K458-F460 HydrophobicContact CB-CZ 3.77Å; K458-F460 HydrophobicContact CD-CZ 4.45Å; K458-F460 WeakPolarHBondContact O-CD2 3.23Å; K458-F460 WeakPolarHBondContact O-CE2 3.36Å
459M96.6Very high96.4Very high43 Ų4352.4 Ų52.421%0.21229%0.286CS..EExtended strand (participates in β ladder)trans-90.4132.9177.9-62.9-62.3-69.400111.1K94 L97 A98 V453 L454 V461K94-M459 HydrophobicContact CG-CE 3.99Å; K94-M459 WeakPolarHBondContact O-CE 3.37Å; L97-M459 HydrophobicContact CB-CE 3.79Å; A98-M459 HydrophobicContact CB-CE 4.05Å; A98-M459 HydrophobicContact CB-SD 3.83Å; V453-M459 CarbonylContact O-C 3.48Å; V453-M459 WeakPolarHBondContact O-CA 3.45Å; L454-M459 HydrophobicContact CB-SD 4.03Å; L454-M459 HydrophobicContact CD1-SD 3.72Å; L454-M459 HydrophobicContact CG-SD 4.31Å; M459-V461 HydrophobicContact CE-CG1 3.76Å
460F96.1Very high96.5Very high111 Ų11154.9 Ų54.949%0.48730%0.304SS..  trans-122.757.1178.5-55.2-80.4000110V453 E455 K458V453-F460 PolarHBondContact O-N 3.34Å; E455-F460 HydrophobicContact CB-CE2 4.14Å; K458-F460 HydrophobicContact CB-CE2 3.86Å; K458-F460 HydrophobicContact CB-CZ 3.77Å; K458-F460 HydrophobicContact CD-CZ 4.45Å; K458-F460 WeakPolarHBondContact O-CD2 3.23Å; K458-F460 WeakPolarHBondContact O-CE2 3.36Å
461V94.3Very high96.5Very high38 Ų3855 Ų5523%0.2330%0.304CS..  trans-98.8151-175.5-65.20000112.3K94 L97 C132 V453 M459K94-V461 HydrophobicContact CB-CG2 4.34Å; K94-V461 HydrophobicContact CD-CG2 4.09Å; K94-V461 HydrophobicContact CG-CG2 3.94Å; L97-V461 HydrophobicContact CD1-CG1 3.65Å; C132-V461 HydrophobicContact CB-CB 4.04Å; C132-V461 HydrophobicContact CB-CG1 4.23Å; V453-V461 HydrophobicContact CB-CG1 4.25Å; M459-V461 HydrophobicContact CE-CG1 3.76Å
462T95.4Very high96.6Very high96 Ų9657.4 Ų57.459%0.58932%0.318SS*.  trans-127.4122.3173.7-590000108.2A465T462-A465 WeakPolarHBondContact O-CB 3.18Å; T462-A465 PolarHBondContact O-N 2.88Å
463P97.4Very high96.6Very high73 Ų7358.1 Ų58.147%0.47432%0.322SS..THydrogen-bonded Turntrans-58.5139.6174.3-23.534.3000111.4A130 A465A130-P463 WeakPolarHBondContact O-CA 3.16Å; P463-A465 PolarHBondContact O-N 3.44Å
464G97.3Very high96.6Very high32 Ų3261.2 Ų61.233%0.3334%0.335SS..THydrogen-bonded Turntrans73.39.3-175.800000114.8D128 S129 A130 A131 G466D128-G464 WeakPolarHBondContact O-CA 3.44Å; S129-G464 PolarHBondContact O-N 2.94Å; A130-G464 PolarHBondContact O-N 3.01Å; A131-G464 CarbonylContact O-C 3.11Å; A131-G464 WeakPolarHBondContact O-CA 3.04Å; A131-G464 PolarHBondContact O-N 2.98Å; G464-G466 VanDerWaalsContact C-N 3.32Å
465A97.3Very high96.6Very high33 Ų3361 Ų6127%0.27333%0.334SS..  trans-74.7-25.3170.100000112.5A131 Q449 T462 P463A131-A465 PolarHBondContact O-N 3.25Å; A131-A465 VanDerWaalsContact O-N 3.14Å; Q449-A465 PolarHBondContact NE2-O 3.43Å; T462-A465 WeakPolarHBondContact O-CB 3.18Å; T462-A465 PolarHBondContact O-N 2.88Å; P463-A465 PolarHBondContact O-N 3.44Å
466G97.8Very high96.6Very high5 Ų562.8 Ų62.85%0.05235%0.345CS..  trans-66.6139.517700000112.8A131 C133 G464A131-G466 WeakPolarHBondContact O-CA 3.43Å; A131-G466 PolarHBondContact O-N 2.94Å; C133-G466 VanDerWaalsContact C-CA 3.42Å; C133-G466 WeakPolarHBondContact O-CA 3.45Å; G464-G466 VanDerWaalsContact C-N 3.32Å
467R98.3Very high97Very high88 Ų8860.5 Ų60.533%0.33233%0.328SS..  trans-109.6141.4-179.5-52.4163.8-58174.26.7110.4D134 Y135 D406 I469D134-R467 WeakPolarHBondContact CA-O 3.19Å; D134-R467 WeakPolarHBondContact OD1-CB 3.41Å; D134-R467 IonicContact OD1-CZ 2.76Å; D134-R467 PolarHBondContact OD1-N 2.89Å; D134-R467 IonicContact OD1-NE 2.62Å; D134-R467 PolarHBondContact OD1-NE 2.86Å; D134-R467 IonicContact OD1-NH2 2.59Å; D134-R467 IonicContact OD2-CZ 3.24Å; D134-R467 IonicContact OD2-NE 2.72Å; D134-R467 PolarHBondContact OD2-NE 3.19Å; D134-R467 IonicContact OD2-NH2 3.79Å; D134-R467 PolarHBondContact OD2-NH2 2.81Å; Y135-R467 PolarHBondContact N-O 3.36Å; D406-R467 IonicContact OD2-CZ 2.79Å; D406-R467 IonicContact OD2-NH2 3.46Å; D406-R467 PolarHBondContact OD2-NH2 3.11Å; R467-I469 PolarHBondContact O-N 3.42Å
468F98.8Very high97.4Very high28 Ų2857.8 Ų57.812%0.12330%0.301CS..BIsolated β-bridgetrans-64.2132.1165.9179.8-107.6000111.2Y120 R124 Y135 L137 K159 P470Y120-F468 HydrophobicContact CE2-CE2 4.45Å; Y120-F468 HydrophobicContact CE2-CZ 4.26Å; Y120-F468 WeakPolarHBondContact OH-CZ 3.49Å; R124-F468 VanDerWaalsContact CZ-CG 3.47Å; R124-F468 VanDerWaalsContact NH1-CD1 3.3Å; Y135-F468 HydrophobicContact CD2-CD2 4.23Å; Y135-F468 HydrophobicContact CE1-CB 4.03Å; Y135-F468 HydrophobicContact CE2-CB 4.39Å; Y135-F468 AromaticContact CE2-CD2 3.71Å; Y135-F468 HydrophobicContact CE2-CD2 3.71Å; Y135-F468 AromaticContact CZ-CD2 4Å; Y135-F468 CarbonylContact O-C 3.53Å; Y135-F468 WeakPolarHBondContact O-CA 3.3Å; L137-F468 HydrophobicContact CB-CE2 4.34Å; L137-F468 HydrophobicContact CD1-CE2 4.34Å; L137-F468 HydrophobicContact CG-CE2 4.17Å; K159-F468 WeakPolarHBondContact O-CE1 3.4Å; K159-F468 WeakPolarHBondContact O-CZ 3.45Å; F468-P470 HydrophobicContact CD1-CB 4.41Å; F468-P470 HydrophobicContact CE1-CB 3.91Å; F468-P470 WeakPolarHBondContact O-CD 3.38Å
469I98.8Very high97.5Very high2 Ų251.6 Ų51.61%0.0127%0.274CS..  trans-104.8100.8177.3-55.9-59.7000108.7M103 D134 Y135 S136 F394 R467M103-I469 HydrophobicContact CE-CB 3.8Å; M103-I469 HydrophobicContact CE-CG1 3.95Å; M103-I469 HydrophobicContact CE-CG2 4.18Å; M103-I469 HydrophobicContact SD-CG1 4.45Å; D134-I469 HydrophobicContact CB-CD1 4.17Å; D134-I469 HydrophobicContact CB-CG1 3.97Å; Y135-I469 PolarHBondContact O-N 2.94Å; S136-I469 WeakPolarHBondContact CB-O 3.28Å; S136-I469 PolarHBondContact OG-O 2.79Å; F394-I469 HydrophobicContact CB-CG2 4.32Å; R467-I469 PolarHBondContact O-N 3.42Å
470P98.4Very high97.5Very high77 Ų7755.5 Ų55.550%0.529%0.29SS..  trans-69.3136.8173.828.8-34.1000109.8F468F468-P470 HydrophobicContact CD1-CB 4.41Å; F468-P470 HydrophobicContact CE1-CB 3.91Å; F468-P470 WeakPolarHBondContact O-CD 3.38Å
471R98.5Very high97.4Very high3 Ų355.6 Ų55.61%0.01129%0.287CS..  trans-114.4135.4-177.8-59.3160.3-66.2-178.2-0.8110.2S136 L137 G160 N162 S163 F392 F394S136-R471 PolarHBondContact OG-NE 3.42Å; S136-R471 PolarHBondContact OG-NH2 2.94Å; L137-R471 PolarHBondContact O-NH2 3.03Å; G160-R471 CarbonylContact C-O 3.54Å; G160-R471 WeakPolarHBondContact CA-O 3.39Å; G160-R471 PolarHBondContact O-N 3.05Å; N162-R471 HydrophobicContact CB-CB 4.42Å; N162-R471 WeakPolarHBondContact ND2-CB 3.33Å; S163-R471 PolarHBondContact OG-NH1 3.28Å; S163-R471 VanDerWaalsContact OG-NH1 3.15Å; F392-R471 WeakPolarHBondContact O-CB 3.24Å; F392-R471 WeakPolarHBondContact O-CD 3.42Å; F392-R471 VanDerWaalsContact O-CG 3.3Å; F392-R471 WeakPolarHBondContact O-CG 3.49Å; F394-R471 HydrophobicContact CD1-CG 3.95Å
472K97.8Very high97.4Very high169 Ų16954 Ų5474%0.73528%0.277SS*.  trans-80.1150.4176.8-64.1179.6-178.91790110.1N162 N393N162-K472 PolarHBondContact ND2-O 3.36Å; N393-K472 WeakPolarHBondContact CB-O 3.31Å; N393-K472 PolarHBondContact ND2-O 2.98Å
473T98.2Very high97.3Very high36 Ų3653.5 Ų53.522%0.22127%0.266CS..SBendtrans-77175.1169.848.70000112.3V156 N162 L191 G192 N393 P475V156-T473 HydrophobicContact CB-CG2 4.23Å; V156-T473 HydrophobicContact CG1-CG2 3.49Å; V156-T473 VanDerWaalsContact CG1-CG2 3.49Å; V156-T473 HydrophobicContact CG2-CG2 3.88Å; N162-T473 HydrophobicContact CB-CG2 3.89Å; L191-T473 VanDerWaalsContact O-CB 3.28Å; L191-T473 WeakPolarHBondContact O-CB 3.11Å; L191-T473 WeakPolarHBondContact O-CG2 3.45Å; L191-T473 PolarHBondContact O-OG1 3.2Å; G192-T473 WeakPolarHBondContact O-CB 3.24Å; N393-T473 PolarHBondContact ND2-O 3.07Å; T473-P475 VanDerWaalsContact C-CD 3.47Å
474F98.1Very high97.1Very high78 Ų7851.7 Ų51.734%0.34226%0.257SS..SBendtrans52.250.5-170.9-55.8-82.1000114.5G192 D476 Y479G192-F474 PolarHBondContact O-N 3.5Å; F474-D476 PolarHBondContact O-N 3.33Å; F474-D476 VanDerWaalsContact O-N 3.13Å; F474-Y479 HydrophobicContact CB-CG 4.44Å; F474-Y479 AromaticContact CD1-CD1 3.73Å; F474-Y479 HydrophobicContact CD1-CD1 3.73Å; F474-Y479 HydrophobicContact CD1-CE1 4.03Å; F474-Y479 HydrophobicContact CD1-CG 4.04Å; F474-Y479 HydrophobicContact CE1-CD1 4.29Å; F474-Y479 HydrophobicContact CE1-CE1 4.24Å
475P97.8Very high96.7Very high0 Ų054.1 Ų54.10%026%0.257CS..  trans-48121.6173.15.8-16.5000111.2I391 N393 T473 F477 V478 Y479I391-P475 WeakPolarHBondContact O-CB 3.37Å; I391-P475 WeakPolarHBondContact O-CG 3.31Å; N393-P475 HydrophobicContact CB-CB 3.8Å; N393-P475 HydrophobicContact CB-CG 4.31Å; T473-P475 VanDerWaalsContact C-CD 3.47Å; P475-F477 PolarHBondContact O-N 2.72Å; P475-V478 HydrophobicContact CB-CB 4.21Å; P475-V478 HydrophobicContact CB-CG2 4.05Å; P475-V478 HydrophobicContact CG-CB 4.04Å; P475-V478 HydrophobicContact CG-CG2 3.99Å; P475-V478 PolarHBondContact O-N 3.44Å; P475-Y479 HydrophobicContact CG-CD2 4.26Å; P475-Y479 PolarHBondContact O-N 3.3Å
476D97.4Very high96.2Very high80 Ų8056.5 Ų56.543%0.42827%0.265SS..Hα-helixtrans-59.3-37.2-172.1-109.4-2.6000112.3F474 V478 K480F474-D476 PolarHBondContact O-N 3.33Å; F474-D476 VanDerWaalsContact O-N 3.13Å; D476-V478 PolarHBondContact O-N 3.5Å; D476-K480 HydrophobicContact CB-CD 4.1Å; D476-K480 HydrophobicContact CB-CG 4.4Å; D476-K480 VanDerWaalsContact O-CB 3.25Å; D476-K480 WeakPolarHBondContact O-CB 3.13Å; D476-K480 WeakPolarHBondContact O-CD 3.48Å; D476-K480 VanDerWaalsContact O-CG 3.22Å; D476-K480 WeakPolarHBondContact O-CG 3.09Å; D476-K480 PolarHBondContact O-N 2.66Å; D476-K480 VanDerWaalsContact O-N 3.14Å; D476-K480 WeakPolarHBondContact OD1-CE 3.29Å; D476-K480 IonicContact OD1-NZ 2.72Å; D476-K480 WeakPolarHBondContact OD2-CE 3.37Å; D476-K480 IonicContact OD2-NZ 3.22Å; D476-K480 PolarHBondContact OD2-NZ 3.11Å
477F97.8Very high95.6Very high89 Ų8964.8 Ų64.839%0.3930%0.295SS..Hα-helixtrans-59-34.2175.9-173.8-109.1000113.1F275 K390 I391 P475F275-F477 HydrophobicContact CE1-CD1 4.23Å; F275-F477 AromaticContact CE1-CE1 3.67Å; F275-F477 HydrophobicContact CE1-CE1 3.67Å; F275-F477 HydrophobicContact CZ-CD1 4.27Å; F275-F477 HydrophobicContact CZ-CE1 4.16Å; K390-F477 HydrophobicContact CB-CB 4.07Å; K390-F477 HydrophobicContact CB-CD1 3.96Å; K390-F477 HydrophobicContact CB-CD2 4.11Å; K390-F477 HydrophobicContact CB-CE1 4.4Å; K390-F477 HydrophobicContact CB-CG 3.79Å; K390-F477 HydrophobicContact CD-CD2 4.22Å; K390-F477 HydrophobicContact CD-CE2 4.18Å; K390-F477 WeakPolarHBondContact O-CB 3.32Å; I391-F477 HydrophobicContact CD1-CE1 4.19Å; I391-F477 HydrophobicContact CG1-CD1 3.63Å; I391-F477 HydrophobicContact CG1-CE1 3.57Å; P475-F477 PolarHBondContact O-N 2.72Å
478V97.5Very high95Very high0 Ų067.9 Ų67.90%032%0.317CS..Hα-helixtrans-91-51.6-1791790000110.7L194 P249 V273 F275 I391 P475 D476L194-V478 HydrophobicContact CD1-CG1 4.26Å; P249-V478 HydrophobicContact CB-CG1 3.24Å; P249-V478 HydrophobicContact CG-CG1 3.56Å; V273-V478 HydrophobicContact CG1-CG1 4.5Å; F275-V478 HydrophobicContact CE2-CG1 4.2Å; F275-V478 HydrophobicContact CE2-CG2 3.91Å; F275-V478 HydrophobicContact CZ-CG2 3.99Å; I391-V478 HydrophobicContact CG2-CG2 4.4Å; P475-V478 HydrophobicContact CB-CB 4.21Å; P475-V478 HydrophobicContact CB-CG2 4.05Å; P475-V478 HydrophobicContact CG-CB 4.04Å; P475-V478 HydrophobicContact CG-CG2 3.99Å; P475-V478 PolarHBondContact O-N 3.44Å; D476-V478 PolarHBondContact O-N 3.5Å
479Y98.2Very high94.1Very high3 Ų369.6 Ų69.61%0.01234%0.337CS..Hα-helixtrans-89.9-16.8-164.3-90.3-89.5000115.8I188 R189 G192 A193 P249 F474 P475 R481 I482 K483I188-Y479 PolarHBondContact O-OH 3.32Å; R189-Y479 WeakPolarHBondContact CA-OH 3.32Å; R189-Y479 PolarHBondContact O-OH 2.85Å; G192-Y479 VanDerWaalsContact C-CE2 3.47Å; G192-Y479 VanDerWaalsContact C-CZ 3.49Å; G192-Y479 VanDerWaalsContact C-OH 3.32Å; G192-Y479 VanDerWaalsContact CA-CZ 3.46Å; G192-Y479 WeakPolarHBondContact CA-OH 3.37Å; G192-Y479 VanDerWaalsContact O-CE2 3.3Å; G192-Y479 WeakPolarHBondContact O-CE2 3.34Å; A193-Y479 PolarHBondContact N-OH 3.47Å; A193-Y479 WeakPolarHBondContact O-CE2 3.49Å; A193-Y479 PolarHBondContact O-OH 3.01Å; P249-Y479 HydrophobicContact CG-CE1 4.5Å; P249-Y479 HydrophobicContact CG-CE2 3.76Å; F474-Y479 HydrophobicContact CB-CG 4.44Å; F474-Y479 AromaticContact CD1-CD1 3.73Å; F474-Y479 HydrophobicContact CD1-CD1 3.73Å; F474-Y479 HydrophobicContact CD1-CE1 4.03Å; F474-Y479 HydrophobicContact CD1-CG 4.04Å; F474-Y479 HydrophobicContact CE1-CD1 4.29Å; F474-Y479 HydrophobicContact CE1-CE1 4.24Å; P475-Y479 HydrophobicContact CG-CD2 4.26Å; P475-Y479 PolarHBondContact O-N 3.3Å; Y479-R481 VanDerWaalsContact C-N 3.26Å; Y479-R481 PolarHBondContact O-N 3.5Å; Y479-I482 HydrophobicContact CD1-CB 4.1Å; Y479-I482 HydrophobicContact CD1-CG2 4.14Å; Y479-I482 HydrophobicContact CE1-CG2 4.23Å; Y479-I482 PolarHBondContact O-N 3.42Å; Y479-K483 WeakPolarHBondContact O-CB 3.47Å; Y479-K483 WeakPolarHBondContact O-CG 3.27Å; Y479-K483 PolarHBondContact O-N 2.74Å
480K96.6Very high93.3Very high125 Ų12576.3 Ų76.354%0.54337%0.368SS..Hα-helixtrans-55.5-42.2177.5-85.2172.8169.51530112.2D476 A484D476-K480 HydrophobicContact CB-CD 4.1Å; D476-K480 HydrophobicContact CB-CG 4.4Å; D476-K480 VanDerWaalsContact O-CB 3.25Å; D476-K480 WeakPolarHBondContact O-CB 3.13Å; D476-K480 WeakPolarHBondContact O-CD 3.48Å; D476-K480 VanDerWaalsContact O-CG 3.22Å; D476-K480 WeakPolarHBondContact O-CG 3.09Å; D476-K480 PolarHBondContact O-N 2.66Å; D476-K480 VanDerWaalsContact O-N 3.14Å; D476-K480 WeakPolarHBondContact OD1-CE 3.29Å; D476-K480 IonicContact OD1-NZ 2.72Å; D476-K480 WeakPolarHBondContact OD2-CE 3.37Å; D476-K480 IonicContact OD2-NZ 3.22Å; D476-K480 PolarHBondContact OD2-NZ 3.11Å; K480-A484 PolarHBondContact O-N 2.85Å
481R94.1Very high92.5Very high113 Ų11380.8 Ų80.843%0.42639%0.386SS..Hα-helixtrans-72.1-38.8177.3-65.2-170.4-66.4163.80.5112.8V273 Y479 A484 R485V273-R481 HydrophobicContact CG2-CB 4.26Å; Y479-R481 VanDerWaalsContact C-N 3.26Å; Y479-R481 PolarHBondContact O-N 3.5Å; R481-A484 PolarHBondContact O-N 3.08Å; R481-R485 WeakPolarHBondContact O-CG 3.45Å; R481-R485 PolarHBondContact O-N 2.92Å
482I94.4Very high91.9Very high3 Ų387.5 Ų87.52%0.01542%0.417CS..Hα-helixtrans-63.6-48.9177-59.7-61.7000110.8V273 Y479 A484 R485 N486V273-I482 HydrophobicContact CB-CD1 3.94Å; V273-I482 HydrophobicContact CG1-CD1 4.45Å; V273-I482 HydrophobicContact CG2-CD1 3.66Å; V273-I482 HydrophobicContact CG2-CG1 4.31Å; Y479-I482 HydrophobicContact CD1-CB 4.1Å; Y479-I482 HydrophobicContact CD1-CG2 4.14Å; Y479-I482 HydrophobicContact CE1-CG2 4.23Å; Y479-I482 PolarHBondContact O-N 3.42Å; I482-A484 VanDerWaalsContact C-N 3.26Å; I482-A484 PolarHBondContact O-N 3.16Å; I482-R485 PolarHBondContact O-N 3.27Å; I482-R485 VanDerWaalsContact O-N 3.09Å; I482-N486 PolarHBondContact O-N 3.4Å
483K93.2Very high91.6Very high86 Ų8683 Ų8337%0.37442%0.418SS..Hα-helixtrans-59.1-35.6176.3-70.9175.5179.2176.40112.4Y479Y479-K483 WeakPolarHBondContact O-CB 3.47Å; Y479-K483 WeakPolarHBondContact O-CG 3.27Å; Y479-K483 PolarHBondContact O-N 2.74Å
484A91.8Very high91.4Very high35 Ų3585.9 Ų85.929%0.28944%0.435SS..Hα-helixtrans-69.3-39.8174.600000112.7K480 R481 I482 R487K480-A484 PolarHBondContact O-N 2.85Å; R481-A484 PolarHBondContact O-N 3.08Å; I482-A484 VanDerWaalsContact C-N 3.26Å; I482-A484 PolarHBondContact O-N 3.16Å; A484-R487 PolarHBondContact O-N 3.03Å
485R89.6Confident91.1Very high83 Ų8388.1 Ų88.131%0.31346%0.458SS..Hα-helixtrans-64.7-44.8177.2-72.9167.7-166.7-163.4-2.9112.7G271 R481 I482 R487 L488 A489G271-R485 PolarHBondContact O-NH1 3.41Å; G271-R485 PolarHBondContact O-NH2 3.24Å; R481-R485 WeakPolarHBondContact O-CG 3.45Å; R481-R485 PolarHBondContact O-N 2.92Å; I482-R485 PolarHBondContact O-N 3.27Å; I482-R485 VanDerWaalsContact O-N 3.09Å; R485-R487 PolarHBondContact O-N 3.33Å; R485-R487 VanDerWaalsContact O-N 3.16Å; R485-L488 PolarHBondContact O-N 3.49Å; R485-A489 WeakPolarHBondContact O-CB 3.5Å; R485-A489 PolarHBondContact O-N 3.01Å
486N86.7Confident90.9Very high83 Ų8397.9 Ų97.944%0.44450%0.495SS..Hα-helixtrans-57.6-31.2179.3-76.3-5000112.6N247 I482 L488N247-N486 PolarHBondContact ND2-OD1 3.32Å; I482-N486 PolarHBondContact O-N 3.4Å; N486-L488 VanDerWaalsContact C-N 3.33Å
487R86.4Confident90.7Very high179 Ų17997.4 Ų97.468%0.67551%0.509SS*.THydrogen-bonded Turntrans-77.1-13.4176-66.3-170.2-58.8-103.73.6114.9A484 R485A484-R487 PolarHBondContact O-N 3.03Å; R485-R487 PolarHBondContact O-N 3.33Å; R485-R487 VanDerWaalsContact O-N 3.16Å
488L85.2Confident90.4Very high153 Ų153101.6 Ų101.680%0.80154%0.535SS*.THydrogen-bonded Turntrans-108.8-15.7-179.4-63.7175.2000112.5R485 N486 E490R485-L488 PolarHBondContact O-N 3.49Å; N486-L488 VanDerWaalsContact C-N 3.33Å; L488-E490 VanDerWaalsContact C-N 3.27Å; L488-E490 PolarHBondContact O-N 2.81Å
489A79.8Confident90.2Very high65 Ų65109.4 Ų109.454%0.53757%0.565SS.*  trans-89.341.6-175.900000112.9R485 I491R485-A489 WeakPolarHBondContact O-CB 3.5Å; R485-A489 PolarHBondContact O-N 3.01Å; A489-I491 PolarHBondContact O-N 3.18Å; A489-I491 VanDerWaalsContact O-N 3.17Å
490E80.9Confident90Very high142 Ų142116.9 Ų116.966%0.66461%0.606SS**  trans-70.5109.8178.2-66.5-172.3157.800111.1L488 H492L488-E490 VanDerWaalsContact C-N 3.27Å; L488-E490 PolarHBondContact O-N 2.81Å; E490-H492 VanDerWaalsContact CB-CE1 3.48Å; E490-H492 WeakPolarHBondContact CB-CE1 3.29Å; E490-H492 PolarHBondContact O-N 2.88Å; E490-H492 PolarHBondContact O-ND1 2.93Å; E490-H492 IonicContact OE2-CE1 2.85Å
491I83Confident89.8Confident172 Ų172112.2 Ų112.288%0.88259%0.592SS**  trans-78.2118.1179.5-58.2175.8000109.3A489A489-I491 PolarHBondContact O-N 3.18Å; A489-I491 VanDerWaalsContact O-N 3.17Å
492H86.4Confident89.7Confident144 Ų144112.5 Ų112.567%0.66761%0.609SS**  trans-113123.2179.5-71.186.6000111E490E490-H492 VanDerWaalsContact CB-CE1 3.48Å; E490-H492 WeakPolarHBondContact CB-CE1 3.29Å; E490-H492 PolarHBondContact O-N 2.88Å; E490-H492 PolarHBondContact O-ND1 2.93Å; E490-H492 IonicContact OE2-CE1 2.85Å
493G90.6Very high89.5Confident73 Ų73118.2 Ų118.275%0.75364%0.644SS**PPolyproline II helixtrans-72.8140167.300000110.7P495G493-P495 WeakPolarHBondContact O-CD 3.47Å
494V94Very high89.4Confident97 Ų97122 Ų12259%0.58866%0.663SS**PPolyproline II helixtrans-70.6118.1171.5179.30000108.6R496V494-R496 HydrophobicContact CG1-CG 4.3Å; V494-R496 PolarHBondContact O-N 3.25Å
495P91.9Very high89.1Confident126 Ų126129.2 Ų129.282%0.81869%0.69SS**PPolyproline II helixtrans-65.8125.6174.228.1-33.2000109G493G493-P495 WeakPolarHBondContact O-CD 3.47Å
496R94.2Very high88.8Confident204 Ų204130.5 Ų130.577%0.7771%0.707SS**  trans-124.7152.6176.5-64.3-175.1-17991.6-5.7109V494V494-R496 HydrophobicContact CG1-CG 4.3Å; V494-R496 PolarHBondContact O-N 3.25Å
497G92.6Very high88.5Confident71 Ų71135.5 Ų135.573%0.73273%0.73SS**PPolyproline II helixtrans-62.2163.6164.600000111.1Y499G497-Y499 PolarHBondContact O-N 2.98Å
498L91.4Very high87.9Confident176 Ų176132.8 Ų132.892%0.92173%0.733SS**PPolyproline II helixtrans-61137.2167.6-64.7175.7000108.9D500L498-D500 PolarHBondContact O-N 2.99Å
499Y93.8Very high87Confident164 Ų164131 Ų13164%0.64373%0.731SS**PPolyproline II helixtrans-71.5123173.7177.5-104.2000109.5G497 G501 P502 V503G497-Y499 PolarHBondContact O-N 2.98Å; Y499-G501 WeakPolarHBondContact CE1-O 3.13Å; Y499-G501 VanDerWaalsContact CZ-CA 3.48Å; Y499-P502 PolarHBondContact OH-O 3.12Å; Y499-P502 VanDerWaalsContact OH-O 3.11Å; Y499-V503 HydrophobicContact CD1-CG2 4.07Å; Y499-V503 HydrophobicContact CE1-CG2 3.8Å
500D92.4Very high85.9Confident161 Ų161132.5 Ų132.586%0.86174%0.743SS**  trans-108.5-1-176.360.7-16.1000113.3L498L498-D500 PolarHBondContact O-N 2.99Å
501G93.6Very high84.6Confident26 Ų26135.2 Ų135.227%0.26875%0.752SS.*SBendtrans-77.4172.7175.500000114.1Y499Y499-G501 WeakPolarHBondContact CE1-O 3.13Å; Y499-G501 VanDerWaalsContact CZ-CA 3.48Å
502P91.2Very high82.8Confident120 Ų120133.6 Ų133.678%0.77975%0.753SS**  trans-67.8140.3178.228.9-34.9000112.1Y499Y499-P502 PolarHBondContact OH-O 3.12Å; Y499-P502 VanDerWaalsContact OH-O 3.11Å
503V90.7Very high81Confident122 Ų122130.3 Ų130.374%0.73976%0.758SS**  trans-113134.1172.4-178.30000108.7Y499Y499-V503 HydrophobicContact CD1-CG2 4.07Å; Y499-V503 HydrophobicContact CE1-CG2 3.8Å
504H91.3Very high78.4Confident167 Ų167131.9 Ų131.977%0.77376%0.758SS**  trans-79.4135175.3-166.477000110.4V506H504-V506 PolarHBondContact O-N 3.33Å
505E85.4Confident75.7Confident186 Ų186131.5 Ų131.587%0.86977%0.773SS**  trans-70.6121.2174.9-69-169.8164.400110.4
506V83.8Confident73.1Confident110 Ų110131.7 Ų131.767%0.66777%0.772SS**  trans-115.5120.8174.6-178.90000108.2H504 V508H504-V506 PolarHBondContact O-N 3.33Å; V506-V508 VanDerWaalsContact C-N 3.32Å; V506-V508 PolarHBondContact O-N 2.9Å
507M79.3Confident70.4Confident188 Ų188130.7 Ų130.793%0.92678%0.776SS**  trans-68.790169.2-77.2-178.161.100109.8P509M507-P509 WeakPolarHBondContact O-CD 3.43Å
508V75.4Confident67.7Low122 Ų122132.3 Ų132.374%0.73978%0.782SS**PPolyproline II helixtrans-70.1120.3168.7-1760000107.9V506 A510V506-V508 VanDerWaalsContact C-N 3.32Å; V506-V508 PolarHBondContact O-N 2.9Å; V508-A510 PolarHBondContact O-N 3.18Å
509P64.4Low64.8Low115 Ų115135.8 Ų135.875%0.74778%0.783SS**PPolyproline II helixtrans-61.8124.317624.9-32.7000109.2M507 K511M507-P509 WeakPolarHBondContact O-CD 3.43Å; P509-K511 PolarHBondContact O-N 3.2Å
510A57.3Low62Low96 Ų96132.7 Ų132.779%0.79379%0.791SS**PPolyproline II helixtrans-61.1120.4-177.400000110.4V508V508-A510 PolarHBondContact O-N 3.18Å
511K54.1Low59Low199 Ų199130.6 Ų130.687%0.86579%0.79SS**PPolyproline II helixtrans-58.8128.5167.1-79.8-175173.3-177.70108.3P509 G513P509-K511 PolarHBondContact O-N 3.2Å; K511-G513 PolarHBondContact O-N 3.12Å; K511-G513 VanDerWaalsContact O-N 3.12Å
512P46Very low55.9Low139 Ų139135.4 Ų135.490%0.90382%0.817SS**SBendtrans-72.2109.7179.727.3-31.3000109.7
513G47.5Very low53.2Low75 Ų75136 Ų13677%0.77382%0.822SS**  trans133.173.2166.800000116.8K511K511-G513 PolarHBondContact O-N 3.12Å; K511-G513 VanDerWaalsContact O-N 3.12Å
514S35.3Very low50.4Low106 Ų106134 Ų13474%0.74183%0.826SS**  trans-17199142.154.10000109.9V516S514-V516 PolarHBondContact O-N 3.42Å; S514-V516 VanDerWaalsContact O-N 3.14Å
515G38.6Very low47.6Very low88 Ų88135.9 Ų135.991%0.90783%0.831SS**  trans-72.4102.8175.800000111.2
516V36.1Very low45.1Very low131 Ų131135.2 Ų135.279%0.79483%0.832SS**PPolyproline II helixtrans-91.1116.3171.7-179.50000108.8S514 A518S514-V516 PolarHBondContact O-N 3.42Å; S514-V516 VanDerWaalsContact O-N 3.14Å; V516-A518 PolarHBondContact O-N 3.14Å
517Q38.9Very low42.5Very low182 Ų182134.7 Ų134.785%0.8583%0.833SS**PPolyproline II helixtrans-64.5127.8171.8-72.7-179.7-15.800110.4R519Q517-R519 PolarHBondContact O-N 3.32Å
518A34.4Very low40.4Very low105 Ų105132 Ų13287%0.86883%0.827SS**PPolyproline II helixtrans-68.1123.3172.800000110.5V516 A520V516-A518 PolarHBondContact O-N 3.14Å; A518-A520 PolarHBondContact O-N 3.38Å
519R32.4Very low38.6Very low250 Ų250131.6 Ų131.694%0.94383%0.827SS**  trans-78.9113.9170.5-78.7-177.8169.3-178.8-3.2110.1Q517Q517-R519 PolarHBondContact O-N 3.32Å
520A34.1Very low37.7Very low98 Ų98131.4 Ų131.481%0.8183%0.826SS**  trans-77.6144.2160.800000110.2A518A518-A520 PolarHBondContact O-N 3.38Å
521S29.2Very low36.5Very low118 Ų118134.2 Ų134.283%0.82583%0.833SS**  trans-95.1138.3179.159.70000112.2
522C28.1Very low35.5Very low126 Ų126135.3 Ų135.385%0.85183%0.831SS**  trans-134.2137.1165.2-73.20000109.2
523P35.5Very low34.9Very low134 Ų134136.3 Ų136.387%0.8783%0.829SS**  trans-92136.6-176.934.5-33000113
524G31.3Very low34.5Very low80 Ų80138.7 Ų138.783%0.82582%0.823SS**  trans-178.5131.9172.100000111.8
525K32.9Very low34.5Very low205 Ų205141.8 Ų141.889%0.89183%0.826SS**  trans-91.2147.1-176.9-66176.4176.8176.90111.8
526I31.8Very low34.2Very low173 Ų173147.3 Ų147.389%0.88783%0.828SS**  trans176.4159.8130.3-89.8154.7000109.7
527S30.8Very low34.4Very low99 Ų99146.1 Ų146.169%0.69283%0.826SS**  trans-136.4171.8179.4500000109.2
528V34.2Very low34.6Very low132 Ų132141.3 Ų141.380%0.883%0.825SS**  cis-136.5-141.627.5-143.50000111.3
529P38.6Very low34.6Very low112 Ų112145.8 Ų145.873%0.72783%0.825SS**  trans-126.2-144.6-153.239-13.1000113.7
530P44.3Very low34.9Very low111 Ų111138.6 Ų138.672%0.72181%0.813SS**  -126150.1-69.130.8-13.8000113.5
531V31.5Very low35.1Very low155 Ų155142.7 Ų142.794%0.93982%0.82SS**  trans-139.9140.9156.8-174.10000111.2
532R33.2Very low35.8Very low222 Ų222142.2 Ų142.284%0.83882%0.817SS**  trans-103.8135.2-178.9179.3-168.9-164.8-179.35.3109.1
533N33.2Very low36.5Very low161 Ų161139.6 Ų139.686%0.86181%0.812SS**  trans-153.3138.3142.1-130.5-21.3000113
534L40Very low37.4Very low124 Ų124138.6 Ų138.665%0.64981%0.808SS**  trans-96.9164.2171-115.977.6000108.7
535H34.9Very low38.6Very low172 Ų172141.9 Ų141.980%0.79680%0.802SS**  trans69.789175.7-47.1-78.4000116.3
536Q33.5Very low39.4Very low203 Ų203136.9 Ų136.995%0.94980%0.799SS**  trans-17198.8132.4-106.7174.528.400111.5
537S40.3Very low40.5Very low107 Ų107134.2 Ų134.275%0.74879%0.786SS**  trans-161.8108.7144.651.40000109.6
538G41.3Very low41.8Very low81 Ų81134.6 Ų134.684%0.83578%0.78SS**  trans-80.9138.6159.900000108.6
539F34.4Very low42.8Very low198 Ų198137.3 Ų137.387%0.86878%0.784SS**  trans-119.9120.7170.1-103.9-86.7000110
540S39.2Very low43.6Very low99 Ų99138 Ų13869%0.69278%0.78SS**  trans-89.5137.5168.6-176.60000109.2S542S540-S542 PolarHBondContact O-N 3.46Å
541L38Very low43.9Very low184 Ų184137 Ų13796%0.96378%0.782SS**  trans-91.889.8175.4-77.4169000110.4
542S43.8Very low44.6Very low108 Ų108141.6 Ų141.676%0.75578%0.782SS**  trans-147.597.9167.161.10000110.7S540S540-S542 PolarHBondContact O-N 3.46Å
543G44.3Very low45.1Very low72 Ų72142.6 Ų142.674%0.74279%0.786SS**  trans-170.4137.6175.600000110.5
544S53.6Low45.5Very low113 Ų113141.7 Ų141.779%0.7979%0.787SS**  trans-63.9144.6177.949.40000111.8
545Q56.9Low45.4Very low149 Ų149140.6 Ų140.670%0.69680%0.795SS**  trans-90.4154.1179.7-64.6-172.1-3.200110.8D547 D548Q545-D547 PolarHBondContact O-N 3.46Å; Q545-D548 PolarHBondContact N-OD2 3.4Å; Q545-D548 PolarHBondContact O-N 3.27Å
546A49.3Very low45.4Very low99 Ų99141.1 Ų141.182%0.81880%0.798SS**THydrogen-bonded Turntrans-62.3-13.7-170.300000114.7
547D54.4Low45.5Very low117 Ų117141.1 Ų141.163%0.62680%0.795SS**THydrogen-bonded Turntrans-106.7-2.9-170.6-55.3-8.2000112.6Q545 H549 I550Q545-D547 PolarHBondContact O-N 3.46Å; D547-H549 PolarHBondContact O-N 2.97Å; D547-I550 HydrophobicContact CB-CD1 4.46Å; D547-I550 PolarHBondContact O-N 2.84Å
548D58Low45.3Very low107 Ų107143.3 Ų143.357%0.57280%0.797SS**THydrogen-bonded Turntrans-63-8.4-173.9-74.2-26.9000114.3Q545Q545-D548 PolarHBondContact N-OD2 3.4Å; Q545-D548 PolarHBondContact O-N 3.27Å
549H55.4Low45Very low189 Ų189147.8 Ų147.888%0.87580%0.798SS**THydrogen-bonded Turntrans-105.63.8177.2-65.7-45.9000114.6D547D547-H549 PolarHBondContact O-N 2.97Å
550I56.6Low45.2Very low126 Ų126142.7 Ų142.765%0.64679%0.793SS**  trans-92.2110.6-178.7-56.2178.8000110.8D547 R552D547-I550 HydrophobicContact CB-CD1 4.46Å; D547-I550 PolarHBondContact O-N 2.84Å; I550-R552 PolarHBondContact O-N 3.26Å
551A49.9Very low45.7Very low92 Ų92143.8 Ų143.876%0.7680%0.797SS**  trans-64.6114.9178.300000112.2R553A551-R553 PolarHBondContact O-N 3.19Å
552R47.2Very low45.8Very low250 Ų250141.5 Ų141.594%0.94379%0.794SS**PPolyproline II helixtrans-64.2117.5176.3-67.9-177.6177.8-178.3-0.4110.9I550I550-R552 PolarHBondContact O-N 3.26Å
553R43.8Very low45.4Very low244 Ų244140.3 Ų140.392%0.92180%0.798SS**PPolyproline II helixtrans-81.2145169.3-79.1-173.7174.5-179.4-0.7111.5A551A551-R553 PolarHBondContact O-N 3.19Å
554T39.7Very low44.9Very low142 Ų142140.6 Ų140.687%0.87180%0.801SS**PPolyproline II helixtrans-62.8131.4177.7-12.30000111.4Q556T554-Q556 PolarHBondContact O-N 3.03Å
555A39.2Very low44.1Very low101 Ų101147.2 Ų147.284%0.83581%0.808SS**PPolyproline II helixtrans-72.6125.1-177.100000112.3
556Q34.3Very low43Very low183 Ų183145.2 Ų145.286%0.85581%0.811SS**PPolyproline II helixtrans-84.2133.6163.5-82.5-178.3-40.300110.2T554T554-Q556 PolarHBondContact O-N 3.03Å
557K35.9Very low42.3Very low202 Ų202148.1 Ų148.188%0.87881%0.813SS**PPolyproline II helixtrans-86.8118.2178.5-155.8179.3-170.1-178.60108.7
558I37.2Very low41.4Very low153 Ų153150 Ų15079%0.78582%0.821SS**  trans-115.2122.9174.3-61.5179.9000108.8
559M34.1Very low40.4Very low176 Ų176151.5 Ų151.587%0.86784%0.835SS**  trans-107.7120.7168.6-63.3-143.9-5200109.8
560A38.6Very low39.7Very low91 Ų91148 Ų14875%0.75283%0.831SS**  trans-172.4135.3150.700000110.2
561P48.9Very low38.7Very low122 Ų122150 Ų15079%0.79284%0.842SS**  trans-87.1153.6174.734.9-34.1000112.4G563P561-G563 PolarHBondContact O-N 2.95Å
562P41Very low38.1Very low136 Ų136154.9 Ų154.988%0.88387%0.871SS**  trans-83.6104.6178.630.7-30.9000113.2
563G36.1Very low37.7Very low83 Ų83150.1 Ų150.186%0.85687%0.867SS**  trans45.991139.400000120.7P561P561-G563 PolarHBondContact O-N 2.95Å
564G33.6Very low37.3Very low77 Ų77145.2 Ų145.279%0.79486%0.864SS**  trans-109.8128.3147.800000109.6
565R36.2Very low37.2Very low252 Ų252145.3 Ų145.395%0.95186%0.864SS**  trans-84.6126.8-179.8-78.4-178.9172.4170.3-3.1111.4
566S34.7Very low37.1Very low108 Ų108147.9 Ų147.976%0.75587%0.866SS**  trans-79.7132169.7-46.50000111.1
567N34.5Very low37.3Very low159 Ų159145.8 Ų145.885%0.8587%0.866SS**  trans-104.2122158.8-81.8-13.6000108.2
568I34.4Very low37.4Very low157 Ų157142 Ų14281%0.80587%0.866SS**  trans-103.1129.1167.7-68.8172.6000107
569T38.1Very low37.4Very low139 Ų139141.2 Ų141.285%0.85387%0.871SS**  trans-109.8134.1165.2-14.60000108.3
570S39.2Very low37.6Very low114 Ų114138.5 Ų138.580%0.79787%0.872SS**  trans-72.6155.2-171.7-47.30000113.6
571L36.4Very low37.6Very low168 Ų168142.5 Ų142.588%0.8888%0.882SS**  trans-59.3149.6170.4-73.9149.6000113.2
572S37.7Very low36.5Very low195 Ų195144.4 Ų144.4100%1.36489%0.89SS**  trans-1420143.5-660000107.4

Retrieved 572 of 572 residues in 579.2 ms (Link to these results)

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