A0A096M5X9_POEFO Loading...

Dihydropyrimidinase like 3

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 A0A096M5X9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 569 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
1M35.5Very low34.1Very low241 Ų241166.3 Ų166.3100%1.18784%0.844SS**  0105.60-70.7179.7-160.100106.8
2S33Very low34.3Very low110 Ų110161.8 Ų161.877%0.76982%0.822SS**  79.6128.9107144.30000111
3Y29.3Very low35.3Very low224 Ų224159.1 Ų159.188%0.87882%0.818SS**  cis-168.5127-1.6-137.2-96.1000102.4G5Y3-G5 PolarHBondContact O-N 3.07Å
4Q35Very low36.7Very low188 Ų188149.4 Ų149.488%0.87977%0.772SS**  trans-71.4117173.6-87.3176.4-19.500108.8K6Q4-K6 PolarHBondContact O-N 3.3Å
5G31.9Very low39.6Very low76 Ų76144.8 Ų144.878%0.78475%0.749SS**  trans-64.4105.1174.400000110.6Y3 K7Y3-G5 PolarHBondContact O-N 3.07Å; G5-K7 PolarHBondContact O-N 3.17Å
6K33.8Very low43Very low198 Ų198139.1 Ų139.186%0.86172%0.715SS**  trans-58115162.4-75.8-179.7175.6178.90107.7Q4 N8Q4-K6 PolarHBondContact O-N 3.3Å; K6-N8 PolarHBondContact O-N 2.91Å; K6-N8 VanDerWaalsContact O-N 3.08Å
7K35.8Very low46.2Very low197 Ų197131.6 Ų131.686%0.85768%0.676SS**  trans-58.8112161.2-80.4-179.5174.71790106.8G5 I9G5-K7 PolarHBondContact O-N 3.17Å; K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 3.08Å
8N33.5Very low49.1Very low156 Ų156124.6 Ų124.683%0.83464%0.64SS**  trans-6098.6164.7-89.9-15.4000107.3K6 P10K6-N8 PolarHBondContact O-N 2.91Å; K6-N8 VanDerWaalsContact O-N 3.08Å; N8-P10 WeakPolarHBondContact O-CD 3.43Å
9I36.9Very low51.6Low146 Ų146118.1 Ų118.175%0.74961%0.607SS**  trans-65.2119160.2-57.7171.8000104.3K7 K11K7-I9 VanDerWaalsContact C-N 3.31Å; K7-I9 PolarHBondContact O-N 3.08Å; I9-K11 PolarHBondContact O-N 3.17Å; I9-K11 VanDerWaalsContact O-N 3.17Å
10P34.5Very low53.9Low101 Ų101115.6 Ų115.666%0.65659%0.591SS**  trans-56.4126.8173.622.2-29000107.4N8 I12N8-P10 WeakPolarHBondContact O-CD 3.43Å; P10-I12 PolarHBondContact O-N 2.88Å
11K35.8Very low55.7Low192 Ų192111.1 Ų111.184%0.83557%0.574SS**  trans-51.4111.1166.7-105.4-178.7171.8-177.30105.8I9 T13I9-K11 PolarHBondContact O-N 3.17Å; I9-K11 VanDerWaalsContact O-N 3.17Å; K11-T13 HydrophobicContact CB-CG2 4.15Å; K11-T13 PolarHBondContact O-N 3.25Å
12I36.9Very low58.6Low113 Ų11399.7 Ų99.758%0.57952%0.518SS*.  trans-69.892.8172.3-62.3174.2000105P10 S14P10-I12 PolarHBondContact O-N 2.88Å; I12-S14 PolarHBondContact O-N 3.3Å
13T46.6Very low61.7Low126 Ų12697.7 Ų97.777%0.77349%0.493SS*.  trans-87.443.5176.351.40000110.4K11K11-T13 HydrophobicContact CB-CG2 4.15Å; K11-T13 PolarHBondContact O-N 3.25Å
14S55.4Low65Low23 Ų2387 Ų8716%0.16145%0.452CS..  trans-104.2121.5172.7176.50000107.1I12 R16 E38 D39I12-S14 PolarHBondContact O-N 3.3Å; S14-R16 VanDerWaalsContact C-N 3.32Å; S14-R16 PolarHBondContact O-N 3.14Å; S14-R16 WeakPolarHBondContact OG-CG 3.39Å; S14-E38 WeakPolarHBondContact OG-CG 3.3Å; S14-D39 WeakPolarHBondContact CB-OD1 3.46Å; S14-D39 PolarHBondContact OG-OD1 2.9Å
15D80.4Confident68.1Low81 Ų8178 Ų7843%0.43341%0.41SS..  trans-71.191.9174.7-65.5-44.1000107.9K451D15-K451 HydrophobicContact CB-CG 4.3Å; D15-K451 WeakPolarHBondContact OD2-CE 3.3Å; D15-K451 IonicContact OD2-NZ 2.8Å
16R94.4Very high71.2Confident54 Ų5474.5 Ų74.520%0.20437%0.373CS..EExtended strand (participates in β ladder)trans-105.3124.2-179.7-62.4173.4179.7172.9-4.8110.1S14 Y36 M37 E38 V55 K56S14-R16 VanDerWaalsContact C-N 3.32Å; S14-R16 PolarHBondContact O-N 3.14Å; S14-R16 WeakPolarHBondContact OG-CG 3.39Å; R16-Y36 HydrophobicContact CB-CE2 4.38Å; R16-M37 WeakPolarHBondContact CA-O 3.15Å; R16-E38 HydrophobicContact CG-CB 4.36Å; R16-E38 HydrophobicContact CG-CG 3.97Å; R16-E38 IonicContact CZ-OE1 2.87Å; R16-E38 IonicContact NE-OE1 2.7Å; R16-E38 PolarHBondContact NE-OE1 3Å; R16-E38 IonicContact NH2-OE1 2.76Å; R16-E38 PolarHBondContact NH2-OE1 2.92Å; R16-V55 HydrophobicContact CB-CB 4.4Å; R16-V55 HydrophobicContact CB-CG1 4.24Å; R16-V55 HydrophobicContact CB-CG2 3.87Å; R16-K56 PolarHBondContact O-N 2.95Å
17L96.8Very high74.3Confident11 Ų1166.8 Ų66.86%0.05834%0.341CS..EExtended strand (participates in β ladder)trans-126.3146.9179.8-60.5179000110.4Y36 M37 K56 I58 I447 G450 I452L17-Y36 WeakPolarHBondContact O-CD2 3.43Å; L17-M37 HydrophobicContact CB-CB 4.23Å; L17-M37 HydrophobicContact CB-CG 4.12Å; L17-M37 HydrophobicContact CB-SD 3.67Å; L17-M37 HydrophobicContact CD1-SD 3.99Å; L17-M37 HydrophobicContact CG-SD 4.44Å; L17-M37 PolarHBondContact N-O 2.7Å; L17-M37 VanDerWaalsContact N-O 3.1Å; L17-M37 PolarHBondContact O-N 2.93Å; L17-K56 WeakPolarHBondContact CA-O 3.39Å; L17-K56 HydrophobicContact CD2-CB 3.86Å; L17-K56 HydrophobicContact CD2-CD 4.35Å; L17-K56 HydrophobicContact CD2-CG 4.29Å; L17-I58 HydrophobicContact CD1-CD1 4.48Å; L17-I447 HydrophobicContact CD1-CD1 4.16Å; L17-I447 HydrophobicContact CD1-CG1 4.45Å; L17-I447 HydrophobicContact CD1-CG2 3.82Å; L17-G450 WeakPolarHBondContact CD1-O 3.46Å; L17-I452 HydrophobicContact CD1-CD1 4.42Å; L17-I452 HydrophobicContact CD1-CG1 3.85Å; L17-I452 HydrophobicContact CD2-CD1 3.97Å; L17-I452 HydrophobicContact CD2-CG1 4.26Å
18L97.6Very high77.3Confident6 Ų661.7 Ų61.73%0.03132%0.323CS..EExtended strand (participates in β ladder)trans-128.1117.4170.1175.464.7000108.6K20 D34 I35 L49 V51 V55 K56 T57 I58L18-K20 HydrophobicContact CD1-CG 4.36Å; L18-K20 HydrophobicContact CD2-CD 3.75Å; L18-K20 HydrophobicContact CD2-CG 3.77Å; L18-K20 HydrophobicContact CG-CD 4.26Å; L18-K20 HydrophobicContact CG-CG 3.69Å; L18-D34 HydrophobicContact CD1-CB 4.12Å; L18-I35 WeakPolarHBondContact CA-O 3.49Å; L18-L49 HydrophobicContact CD1-CB 4.48Å; L18-L49 HydrophobicContact CD1-CD1 4.25Å; L18-V51 HydrophobicContact CD1-CG1 4.07Å; L18-V51 HydrophobicContact CD2-CG1 4.23Å; L18-V51 HydrophobicContact CD2-CG2 3.86Å; L18-V55 HydrophobicContact CB-CG1 3.71Å; L18-K56 PolarHBondContact N-O 2.82Å; L18-T57 CarbonylContact O-C 3.53Å; L18-T57 VanDerWaalsContact O-CA 3.3Å; L18-T57 WeakPolarHBondContact O-CA 3.36Å; L18-I58 PolarHBondContact O-N 3.28Å
19I97.9Very high80.4Confident1 Ų159.3 Ų59.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-91.9127.8169.5-55174.4000107.6D34 I35 M37 I58 A60 V65 L409 I411 I447I19-D34 CarbonylContact O-C 3.49Å; I19-D34 VanDerWaalsContact O-CA 3.23Å; I19-D34 WeakPolarHBondContact O-CA 3.35Å; I19-D34 WeakPolarHBondContact O-CB 3.39Å; I19-I35 HydrophobicContact CB-CB 4.3Å; I19-I35 HydrophobicContact CD1-CD1 4.4Å; I19-I35 PolarHBondContact N-O 3.47Å; I19-I35 PolarHBondContact O-N 3.23Å; I19-M37 HydrophobicContact CD1-SD 4.24Å; I19-M37 HydrophobicContact CG1-SD 4.42Å; I19-I58 WeakPolarHBondContact CA-O 3.15Å; I19-I58 HydrophobicContact CG1-CD1 4.41Å; I19-A60 HydrophobicContact CG2-CB 3.65Å; I19-V65 HydrophobicContact CD1-CG1 4.07Å; I19-V65 HydrophobicContact CG2-CG2 3.96Å; I19-L409 HydrophobicContact CD1-CD1 3.73Å; I19-I411 HydrophobicContact CG2-CD1 4.1Å; I19-I447 HydrophobicContact CD1-CD1 3.7Å; I19-I447 HydrophobicContact CG1-CD1 4.22Å
20K97.1Very high83.3Confident67 Ų6754.2 Ų54.229%0.29128%0.284SS..EExtended strand (participates in β ladder)trans-117.7141.7-178.5-62.6-164.180.6-178.20113.9L18 G22 D34 T57 I58 A60L18-K20 HydrophobicContact CD1-CG 4.36Å; L18-K20 HydrophobicContact CD2-CD 3.75Å; L18-K20 HydrophobicContact CD2-CG 3.77Å; L18-K20 HydrophobicContact CG-CD 4.26Å; L18-K20 HydrophobicContact CG-CG 3.69Å; K20-G22 PolarHBondContact O-N 2.89Å; K20-G22 VanDerWaalsContact O-N 3.16Å; K20-D34 WeakPolarHBondContact CA-OD1 3.23Å; K20-D34 VanDerWaalsContact CE-OD2 3.23Å; K20-D34 WeakPolarHBondContact CE-OD2 3.38Å; K20-T57 HydrophobicContact CB-CG2 4.47Å; K20-T57 HydrophobicContact CD-CG2 3.77Å; K20-T57 HydrophobicContact CG-CG2 3.81Å; K20-I58 PolarHBondContact N-O 2.8Å; K20-A60 PolarHBondContact O-N 3.35Å
21G92.6Very high86.4Confident23 Ų2352.4 Ų52.424%0.23727%0.266CS..SBendtrans68.311.716900000115.7D34 N61G21-D34 PolarHBondContact N-OD1 3.28Å; G21-N61 WeakPolarHBondContact O-CA 3.38Å
22G95.3Very high89.3Confident0 Ų049.1 Ų49.10%025%0.253CS..  trans-79.2154.917800000112.9K20 A33 A60K20-G22 PolarHBondContact O-N 2.89Å; K20-G22 VanDerWaalsContact O-N 3.16Å; G22-A33 PolarHBondContact O-N 2.92Å; G22-A60 WeakPolarHBondContact CA-O 3.36Å
23R98.3Very high92.2Very high68 Ų6844 Ų4426%0.25723%0.229SC..EExtended strand (participates in β ladder)trans-91.4102.3169.6-168.5167.866.4102.14.5109.2V25 F31 K63 M64 V65 E377R23-V25 HydrophobicContact CG-CG2 4.5Å; R23-V25 PolarHBondContact O-N 3.45Å; R23-F31 CarbonylContact C-O 3.58Å; R23-K63 PolarHBondContact N-O 2.88Å; R23-M64 VanDerWaalsContact NH2-CG 3.31Å; R23-M64 PolarHBondContact NH2-SD 3.15Å; R23-M64 CarbonylContact O-C 3.4Å; R23-M64 WeakPolarHBondContact O-CA 3.01Å; R23-V65 PolarHBondContact O-N 3.47Å; R23-E377 IonicContact CZ-OE1 2.82Å; R23-E377 IonicContact CZ-OE2 3.18Å; R23-E377 VanDerWaalsContact CZ-OE2 3.23Å; R23-E377 IonicContact NH1-OE1 2.79Å; R23-E377 PolarHBondContact NH1-OE1 3.32Å; R23-E377 IonicContact NH1-OE2 2.79Å; R23-E377 PolarHBondContact NH1-OE2 3.38Å; R23-E377 IonicContact NH2-OE1 3.92Å; R23-E377 IonicContact NH2-OE2 2.85Å; R23-E377 PolarHBondContact NH2-OE2 2.87Å
24I98.8Very high94.7Very high0 Ų038.7 Ų38.70%020%0.195CC..EExtended strand (participates in β ladder)trans-67.3127.6176.1-56.9-172.5000108.5S30 F31 A33 I35 I45 V65 I401I24-S30 CarbonylContact O-C 3.49Å; I24-S30 WeakPolarHBondContact O-CA 3.42Å; I24-F31 WeakPolarHBondContact CA-O 3.22Å; I24-F31 HydrophobicContact CB-CE1 4.46Å; I24-F31 HydrophobicContact CB-CE2 4.29Å; I24-F31 HydrophobicContact CB-CZ 4.23Å; I24-F31 WeakPolarHBondContact CB-O 3.39Å; I24-F31 HydrophobicContact CD1-CE2 3.96Å; I24-F31 HydrophobicContact CD1-CZ 4.29Å; I24-F31 HydrophobicContact CG2-CE1 4.2Å; I24-F31 HydrophobicContact CG2-CZ 4.01Å; I24-F31 PolarHBondContact N-O 3.46Å; I24-F31 PolarHBondContact O-N 3.12Å; I24-A33 HydrophobicContact CD1-CB 3.81Å; I24-I35 HydrophobicContact CD1-CD1 3.71Å; I24-I35 HydrophobicContact CD1-CG1 3.52Å; I24-I35 HydrophobicContact CG1-CD1 3.98Å; I24-I35 HydrophobicContact CG1-CG1 4.23Å; I24-I45 HydrophobicContact CD1-CG2 3.61Å; I24-V65 WeakPolarHBondContact CA-O 3.47Å; I24-I401 HydrophobicContact CD1-CG2 4.35Å; I24-I401 HydrophobicContact CG2-CB 3.85Å; I24-I401 HydrophobicContact CG2-CD1 3.8Å; I24-I401 HydrophobicContact CG2-CG1 4.33Å; I24-I401 HydrophobicContact CG2-CG2 3.87Å
25V98.9Very high96.7Very high0 Ų037.6 Ų37.60%019%0.188CC..EExtended strand (participates in β ladder)trans-123.9116.7177.4178.70000108.9R23 S30 M64 V65 I66 P67 E377 V381R23-V25 HydrophobicContact CG-CG2 4.5Å; R23-V25 PolarHBondContact O-N 3.45Å; V25-S30 WeakPolarHBondContact CG2-OG 3.43Å; V25-M64 HydrophobicContact CB-CE 4.09Å; V25-M64 HydrophobicContact CG1-CE 4.22Å; V25-M64 HydrophobicContact CG2-CB 4.47Å; V25-M64 HydrophobicContact CG2-CE 3.76Å; V25-M64 HydrophobicContact CG2-CG 4.1Å; V25-M64 HydrophobicContact CG2-SD 4.47Å; V25-V65 PolarHBondContact N-O 2.81Å; V25-I66 HydrophobicContact CB-CG2 3.95Å; V25-I66 HydrophobicContact CG1-CG2 4.46Å; V25-P67 WeakPolarHBondContact O-CD 3.23Å; V25-E377 HydrophobicContact CG1-CB 4Å; V25-E377 HydrophobicContact CG1-CG 3.78Å; V25-E377 HydrophobicContact CG2-CG 4.49Å; V25-V381 HydrophobicContact CB-CG2 4.48Å; V25-V381 HydrophobicContact CG1-CG2 3.87Å
26N98.9Very high97.6Very high2 Ų234.1 Ų34.11%0.01117%0.168CC..  trans-109.3177.8170.7-80.4-47000110.1D28 Q29 N378 R400 I401N26-D28 VanDerWaalsContact CB-OD1 3.24Å; N26-D28 WeakPolarHBondContact CB-OD1 3.36Å; N26-D28 PolarHBondContact O-N 2.85Å; N26-Q29 PolarHBondContact N-O 2.87Å; N26-N378 WeakPolarHBondContact O-CA 3.45Å; N26-N378 WeakPolarHBondContact O-CB 3.37Å; N26-N378 PolarHBondContact O-ND2 3.28Å; N26-R400 WeakPolarHBondContact OD1-CG 3.28Å; N26-I401 PolarHBondContact ND2-O 3.26Å; N26-I401 PolarHBondContact OD1-N 3.49Å
27D98.6Very high97.7Very high36 Ų3631.5 Ų31.519%0.19316%0.159CC..SBendtrans-65.2-19.2178.665.5-47.9000114.4N378 A382 T386 K390 R400D27-N378 WeakPolarHBondContact CA-O 3.42Å; D27-A382 HydrophobicContact CB-CB 3.91Å; D27-T386 HydrophobicContact CB-CG2 3.99Å; D27-T386 VanDerWaalsContact CG-CG2 3.47Å; D27-T386 WeakPolarHBondContact OD2-CG2 3.39Å; D27-K390 IonicContact OD2-NZ 4Å; D27-K390 PolarHBondContact OD2-NZ 2.88Å; D27-R400 IonicContact OD1-NH1 3.16Å; D27-R400 PolarHBondContact OD1-NH1 3.21Å
28D98.4Very high97.6Very high90 Ų9032.8 Ų32.848%0.48116%0.164SC..SBendtrans-107.1-32.7-174.659.9-38.5000114.6N26 R400N26-D28 VanDerWaalsContact CB-OD1 3.24Å; N26-D28 WeakPolarHBondContact CB-OD1 3.36Å; N26-D28 PolarHBondContact O-N 2.85Å; D28-R400 IonicContact OD1-CZ 2.97Å; D28-R400 IonicContact OD1-NH1 3.59Å; D28-R400 PolarHBondContact OD1-NH1 3.09Å; D28-R400 IonicContact OD1-NH2 2.68Å; D28-R400 PolarHBondContact OD1-NH2 3.1Å; D28-R400 IonicContact OD2-CZ 3.56Å; D28-R400 IonicContact OD2-NH1 2.86Å; D28-R400 IonicContact OD2-NH2 3.56Å; D28-R400 PolarHBondContact OD2-NH2 2.87Å
29Q97.9Very high97.4Very high105 Ų10537.3 Ų37.349%0.49119%0.189SC..  trans-159.9163.4-178.361.6174.5-7.200113.2N26 F31 N378N26-Q29 PolarHBondContact N-O 2.87Å; Q29-F31 HydrophobicContact CG-CD1 4.03Å; Q29-F31 HydrophobicContact CG-CE1 4.24Å; Q29-N378 PolarHBondContact O-ND2 3.2Å
30S98.7Very high97.3Very high39 Ų3937.8 Ų37.827%0.27319%0.193SC..EExtended strand (participates in β ladder)trans-121.7132.9174.1-570000110.9I24 V25 E377 N378I24-S30 CarbonylContact O-C 3.49Å; I24-S30 WeakPolarHBondContact O-CA 3.42Å; V25-S30 WeakPolarHBondContact CG2-OG 3.43Å; S30-E377 VanDerWaalsContact CB-OE1 3.25Å; S30-E377 WeakPolarHBondContact CB-OE1 3.35Å; S30-E377 PolarHBondContact OG-OE1 3.23Å; S30-N378 PolarHBondContact OG-ND2 3.08Å; S30-N378 PolarHBondContact OG-OD1 2.91Å
31F98.3Very high97.3Very high63 Ų6337.2 Ų37.228%0.27619%0.193SC..EExtended strand (participates in β ladder)trans-153.4157.8179.859.9-84.2000111.7R23 I24 Q29 A33 I45R23-F31 CarbonylContact C-O 3.58Å; I24-F31 WeakPolarHBondContact CA-O 3.22Å; I24-F31 HydrophobicContact CB-CE1 4.46Å; I24-F31 HydrophobicContact CB-CE2 4.29Å; I24-F31 HydrophobicContact CB-CZ 4.23Å; I24-F31 WeakPolarHBondContact CB-O 3.39Å; I24-F31 HydrophobicContact CD1-CE2 3.96Å; I24-F31 HydrophobicContact CD1-CZ 4.29Å; I24-F31 HydrophobicContact CG2-CE1 4.2Å; I24-F31 HydrophobicContact CG2-CZ 4.01Å; I24-F31 PolarHBondContact N-O 3.46Å; I24-F31 PolarHBondContact O-N 3.12Å; Q29-F31 HydrophobicContact CG-CD1 4.03Å; Q29-F31 HydrophobicContact CG-CE1 4.24Å; F31-A33 HydrophobicContact CD2-CB 4.07Å; F31-A33 HydrophobicContact CE2-CB 3.95Å; F31-I45 HydrophobicContact CE2-CG2 3.99Å; F31-I45 HydrophobicContact CZ-CG2 4.43Å
32H98.3Very high97.6Very high123 Ų12336.1 Ų36.157%0.56918%0.182SC*.EExtended strand (participates in β ladder)trans-87.3134.8174.5-66.184.3000109.6
33A97.8Very high97.7Very high7 Ų740 Ų406%0.05820%0.199CC..  trans-168.5159170.900000109.6G22 I24 F31 I45G22-A33 PolarHBondContact O-N 2.92Å; I24-A33 HydrophobicContact CD1-CB 3.81Å; F31-A33 HydrophobicContact CD2-CB 4.07Å; F31-A33 HydrophobicContact CE2-CB 3.95Å; A33-I45 HydrophobicContact CB-CG2 3.76Å
34D98Very high97.7Very high13 Ų1340.8 Ų40.87%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-82.2153.8167.5-60.2-19.2000109.8L18 I19 K20 G21 I45 G46 L49L18-D34 HydrophobicContact CD1-CB 4.12Å; I19-D34 CarbonylContact O-C 3.49Å; I19-D34 VanDerWaalsContact O-CA 3.23Å; I19-D34 WeakPolarHBondContact O-CA 3.35Å; I19-D34 WeakPolarHBondContact O-CB 3.39Å; K20-D34 WeakPolarHBondContact CA-OD1 3.23Å; K20-D34 VanDerWaalsContact CE-OD2 3.23Å; K20-D34 WeakPolarHBondContact CE-OD2 3.38Å; G21-D34 PolarHBondContact N-OD1 3.28Å; D34-I45 WeakPolarHBondContact O-CA 3.14Å; D34-G46 WeakPolarHBondContact CB-O 3.45Å; D34-G46 PolarHBondContact N-O 2.9Å; D34-G46 PolarHBondContact O-N 3.33Å; D34-G46 VanDerWaalsContact O-N 3.12Å; D34-L49 HydrophobicContact CB-CD1 3.86Å; D34-L49 HydrophobicContact CB-CG 4Å; D34-L49 WeakPolarHBondContact O-CD1 3.41Å
35I98.4Very high97.7Very high1 Ų143 Ų431%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-124.9117.8177.7-54.2169.8000109.1L18 I19 I24 M37 I42 V65 I401 L409L18-I35 WeakPolarHBondContact CA-O 3.49Å; I19-I35 HydrophobicContact CB-CB 4.3Å; I19-I35 HydrophobicContact CD1-CD1 4.4Å; I19-I35 PolarHBondContact N-O 3.47Å; I19-I35 PolarHBondContact O-N 3.23Å; I24-I35 HydrophobicContact CD1-CD1 3.71Å; I24-I35 HydrophobicContact CD1-CG1 3.52Å; I24-I35 HydrophobicContact CG1-CD1 3.98Å; I24-I35 HydrophobicContact CG1-CG1 4.23Å; I35-M37 HydrophobicContact CG2-CG 4.21Å; I35-I42 HydrophobicContact CG2-CG1 4.45Å; I35-I42 HydrophobicContact CG2-CG2 3.88Å; I35-V65 HydrophobicContact CD1-CB 4.33Å; I35-V65 HydrophobicContact CD1-CG1 3.76Å; I35-I401 HydrophobicContact CD1-CD1 4.44Å; I35-I401 HydrophobicContact CD1-CG2 3.68Å; I35-I401 HydrophobicContact CG1-CG2 4.38Å; I35-L409 HydrophobicContact CD1-CD1 4.15Å; I35-L409 HydrophobicContact CG2-CD1 4.18Å
36Y98.1Very high97.6Very high7 Ų744 Ų443%0.02723%0.227CC..EExtended strand (participates in β ladder)trans-98.8130.1171.2175.7-116.1000110.9R16 L17 E38 K43 Q44 V51 V55R16-Y36 HydrophobicContact CB-CE2 4.38Å; L17-Y36 WeakPolarHBondContact O-CD2 3.43Å; Y36-E38 HydrophobicContact CE1-CB 4.12Å; Y36-E38 VanDerWaalsContact OH-CD 3.25Å; Y36-E38 PolarHBondContact OH-OE2 2.82Å; Y36-K43 HydrophobicContact CD1-CB 3.72Å; Y36-K43 HydrophobicContact CD1-CG 4.37Å; Y36-K43 HydrophobicContact CE1-CB 4.04Å; Y36-K43 HydrophobicContact CE1-CG 4.25Å; Y36-K43 PolarHBondContact O-N 2.83Å; Y36-Q44 HydrophobicContact CD1-CG 4.42Å; Y36-Q44 PolarHBondContact N-O 3.01Å; Y36-Q44 PolarHBondContact O-N 3.16Å; Y36-V51 HydrophobicContact CD1-CG1 4.45Å; Y36-V51 HydrophobicContact CD2-CB 4Å; Y36-V51 HydrophobicContact CD2-CG1 3.46Å; Y36-V51 VanDerWaalsContact CD2-CG1 3.46Å; Y36-V51 HydrophobicContact CE2-CB 4.14Å; Y36-V51 HydrophobicContact CE2-CG1 4.1Å; Y36-V51 HydrophobicContact CG-CG1 3.67Å; Y36-V55 HydrophobicContact CD2-CG1 4.43Å; Y36-V55 HydrophobicContact CE2-CG1 4.24Å; Y36-V55 HydrophobicContact CE2-CG2 3.97Å
37M96.9Very high97.3Very high0 Ų049.5 Ų49.50%026%0.256CS..EExtended strand (participates in β ladder)trans-122.8136.3-175-30.9170.964.900109.1R16 L17 I19 I35 L41 A407 L409 I447R16-M37 WeakPolarHBondContact CA-O 3.15Å; L17-M37 HydrophobicContact CB-CB 4.23Å; L17-M37 HydrophobicContact CB-CG 4.12Å; L17-M37 HydrophobicContact CB-SD 3.67Å; L17-M37 HydrophobicContact CD1-SD 3.99Å; L17-M37 HydrophobicContact CG-SD 4.44Å; L17-M37 PolarHBondContact N-O 2.7Å; L17-M37 VanDerWaalsContact N-O 3.1Å; L17-M37 PolarHBondContact O-N 2.93Å; I19-M37 HydrophobicContact CD1-SD 4.24Å; I19-M37 HydrophobicContact CG1-SD 4.42Å; I35-M37 HydrophobicContact CG2-CG 4.21Å; M37-L41 WeakPolarHBondContact CA-O 2.81Å; M37-A407 HydrophobicContact CB-CB 4.31Å; M37-A407 HydrophobicContact CE-CB 3.14Å; M37-L409 HydrophobicContact CE-CD1 3.64Å; M37-L409 HydrophobicContact CE-CG 4.19Å; M37-L409 HydrophobicContact SD-CD1 4.05Å; M37-I447 HydrophobicContact CE-CB 4.37Å; M37-I447 HydrophobicContact CE-CD1 4.24Å; M37-I447 HydrophobicContact CE-CG2 3.58Å; M37-I447 HydrophobicContact SD-CD1 3.87Å; M37-I447 HydrophobicContact SD-CG2 4.3Å
38E95.8Very high96.9Very high37 Ų3754.3 Ų54.317%0.17328%0.282CS..EExtended strand (participates in β ladder)trans-149.7135.4175.3-178.5166.7-158.300109.6S14 R16 Y36 G40 L41 K43S14-E38 WeakPolarHBondContact OG-CG 3.3Å; R16-E38 HydrophobicContact CG-CB 4.36Å; R16-E38 HydrophobicContact CG-CG 3.97Å; R16-E38 IonicContact CZ-OE1 2.87Å; R16-E38 IonicContact NE-OE1 2.7Å; R16-E38 PolarHBondContact NE-OE1 3Å; R16-E38 IonicContact NH2-OE1 2.76Å; R16-E38 PolarHBondContact NH2-OE1 2.92Å; Y36-E38 HydrophobicContact CE1-CB 4.12Å; Y36-E38 VanDerWaalsContact OH-CD 3.25Å; Y36-E38 PolarHBondContact OH-OE2 2.82Å; E38-G40 VanDerWaalsContact C-N 3.27Å; E38-G40 PolarHBondContact O-N 2.74Å; E38-L41 PolarHBondContact N-O 3.09Å; E38-L41 PolarHBondContact O-N 3Å; E38-L41 VanDerWaalsContact O-N 3.15Å; E38-K43 HydrophobicContact CB-CG 3.79Å; E38-K43 VanDerWaalsContact O-CE 3.26Å; E38-K43 WeakPolarHBondContact O-CE 3.49Å
39D93.2Very high96.7Very high102 Ų10251.3 Ų51.355%0.54527%0.266SS..THydrogen-bonded Turntrans53.742.6178.2-53.4-34.6000113S14 L41S14-D39 WeakPolarHBondContact CB-OD1 3.46Å; S14-D39 PolarHBondContact OG-OD1 2.9Å; D39-L41 VanDerWaalsContact C-N 3.26Å; D39-L41 PolarHBondContact O-N 3.23Å
40G94.9Very high96.3Very high10 Ų1053.8 Ų53.810%0.10328%0.281CS..THydrogen-bonded Turntrans7311.5177.400000115.4E38 A407 Q449E38-G40 VanDerWaalsContact C-N 3.27Å; E38-G40 PolarHBondContact O-N 2.74Å; G40-A407 VanDerWaalsContact C-CB 3.45Å; G40-A407 WeakPolarHBondContact O-CB 3.26Å; G40-A407 PolarHBondContact O-N 3.46Å; G40-Q449 WeakPolarHBondContact CA-O 3.43Å
41L97.9Very high96Very high56 Ų5653.9 Ų53.929%0.29328%0.28SS..EExtended strand (participates in β ladder)trans-124.2148.6177.4-63.1175000112.2M37 E38 D39 K43M37-L41 WeakPolarHBondContact CA-O 2.81Å; E38-L41 PolarHBondContact N-O 3.09Å; E38-L41 PolarHBondContact O-N 3Å; E38-L41 VanDerWaalsContact O-N 3.15Å; D39-L41 VanDerWaalsContact C-N 3.26Å; D39-L41 PolarHBondContact O-N 3.23Å; L41-K43 PolarHBondContact O-N 2.93Å
42I98.4Very high95.6Very high0 Ų053.7 Ų53.70%029%0.285CS..EExtended strand (participates in β ladder)trans-74.2117.9168.6-58.5174.5000108.5I35 I45 I401 A402 G404 S405 A407 L409I35-I42 HydrophobicContact CG2-CG1 4.45Å; I35-I42 HydrophobicContact CG2-CG2 3.88Å; I42-I45 HydrophobicContact CG2-CD1 4.03Å; I42-I45 HydrophobicContact CG2-CG1 3.84Å; I42-I401 HydrophobicContact CD1-CG2 3.95Å; I42-A402 WeakPolarHBondContact CB-O 3.46Å; I42-G404 PolarHBondContact O-N 3.22Å; I42-S405 PolarHBondContact N-O 2.84Å; I42-A407 HydrophobicContact CG1-CB 4.26Å; I42-L409 HydrophobicContact CD1-CD2 4.13Å
43K97.8Very high95Very high80 Ų8051.1 Ų51.135%0.34829%0.291SS..EExtended strand (participates in β ladder)trans-98.9-39.4-176.6-65.4-57-174.8-178.90113.2Y36 E38 L41 V403Y36-K43 HydrophobicContact CD1-CB 3.72Å; Y36-K43 HydrophobicContact CD1-CG 4.37Å; Y36-K43 HydrophobicContact CE1-CB 4.04Å; Y36-K43 HydrophobicContact CE1-CG 4.25Å; Y36-K43 PolarHBondContact O-N 2.83Å; E38-K43 HydrophobicContact CB-CG 3.79Å; E38-K43 VanDerWaalsContact O-CE 3.26Å; E38-K43 WeakPolarHBondContact O-CE 3.49Å; L41-K43 PolarHBondContact O-N 2.93Å; K43-V403 WeakPolarHBondContact O-CG1 3.46Å
44Q97.8Very high94.5Very high86 Ų8654.9 Ų54.940%0.40233%0.331SS..EExtended strand (participates in β ladder)trans-144.2145.5-178.5-57.5-179.113.100110.2Y36 L49Y36-Q44 HydrophobicContact CD1-CG 4.42Å; Y36-Q44 PolarHBondContact N-O 3.01Å; Y36-Q44 PolarHBondContact O-N 3.16Å; Q44-L49 HydrophobicContact CB-CD1 4.08Å; Q44-L49 HydrophobicContact CB-CD2 4.14Å
45I98.2Very high94.3Very high46 Ų4655.3 Ų55.324%0.23633%0.334CS..EExtended strand (participates in β ladder)trans-133129.9171-59.6171.4000106.2I24 F31 A33 D34 I42 I401 V403I24-I45 HydrophobicContact CD1-CG2 3.61Å; F31-I45 HydrophobicContact CE2-CG2 3.99Å; F31-I45 HydrophobicContact CZ-CG2 4.43Å; A33-I45 HydrophobicContact CB-CG2 3.76Å; D34-I45 WeakPolarHBondContact O-CA 3.14Å; I42-I45 HydrophobicContact CG2-CD1 4.03Å; I42-I45 HydrophobicContact CG2-CG1 3.84Å; I45-I401 HydrophobicContact CD1-CG2 3.93Å; I45-V403 HydrophobicContact CD1-CG2 4.5Å; I45-V403 HydrophobicContact CG1-CG2 4.32Å
46G96.6Very high94Very high20 Ų2059.5 Ų59.521%0.20635%0.353CS..EExtended strand (participates in β ladder)trans164.6-179.5177.500000112.6D34D34-G46 WeakPolarHBondContact CB-O 3.45Å; D34-G46 PolarHBondContact N-O 2.9Å; D34-G46 PolarHBondContact O-N 3.33Å; D34-G46 VanDerWaalsContact O-N 3.12Å
47D93.5Very high93.9Very high119 Ų11962.4 Ų62.464%0.63637%0.371SS*.SBendtrans-85141.5179.7-60.5-43000111.4L49D47-L49 VanDerWaalsContact C-N 3.32Å; D47-L49 PolarHBondContact O-N 3.37Å
48N89.9Confident93.9Very high137 Ų13762.9 Ų62.973%0.73337%0.373SS*.SBendtrans52.847.1172.6-58.1-63.3000113.1I50N48-I50 PolarHBondContact O-N 3.1Å
49L94Very high93.9Very high27 Ų2766.5 Ų66.514%0.14139%0.39CS..  trans-58.4131.9-176.3-65.3179.9000111.7L18 D34 Q44 D47 V51L18-L49 HydrophobicContact CD1-CB 4.48Å; L18-L49 HydrophobicContact CD1-CD1 4.25Å; D34-L49 HydrophobicContact CB-CD1 3.86Å; D34-L49 HydrophobicContact CB-CG 4Å; D34-L49 WeakPolarHBondContact O-CD1 3.41Å; Q44-L49 HydrophobicContact CB-CD1 4.08Å; Q44-L49 HydrophobicContact CB-CD2 4.14Å; D47-L49 VanDerWaalsContact C-N 3.32Å; D47-L49 PolarHBondContact O-N 3.37Å; L49-V51 HydrophobicContact CB-CG1 4.2Å; L49-V51 PolarHBondContact O-N 3.44Å
50I90.4Very high94.1Very high156 Ų15661.7 Ų61.780%0.836%0.364SS*.  trans-88.5103.5172.1-57.1174.9000107.5N48N48-I50 PolarHBondContact O-N 3.1Å
51V91.5Very high94.1Very high41 Ų4166.1 Ų66.125%0.24839%0.386CS..  trans-106.3156.9-179.3-59.40000111.8L18 Y36 L49 V55L18-V51 HydrophobicContact CD1-CG1 4.07Å; L18-V51 HydrophobicContact CD2-CG1 4.23Å; L18-V51 HydrophobicContact CD2-CG2 3.86Å; Y36-V51 HydrophobicContact CD1-CG1 4.45Å; Y36-V51 HydrophobicContact CD2-CB 4Å; Y36-V51 HydrophobicContact CD2-CG1 3.46Å; Y36-V51 VanDerWaalsContact CD2-CG1 3.46Å; Y36-V51 HydrophobicContact CE2-CB 4.14Å; Y36-V51 HydrophobicContact CE2-CG1 4.1Å; Y36-V51 HydrophobicContact CG-CG1 3.67Å; L49-V51 HydrophobicContact CB-CG1 4.2Å; L49-V51 PolarHBondContact O-N 3.44Å; V51-V55 HydrophobicContact CB-CG2 4.38Å; V51-V55 HydrophobicContact CG2-CB 4.34Å; V51-V55 HydrophobicContact CG2-CG2 4.24Å
52P89.4Confident93.9Very high59 Ų5966.8 Ų66.838%0.38341%0.406SS..  trans-56.7158.9172.2-23.134.1000112.6V55P52-V55 WeakPolarHBondContact O-CG2 3.35Å
53G86.9Confident93.9Very high69 Ų6969 Ų6971%0.71142%0.416SS*.THydrogen-bonded Turntrans-67.3153.6171.900000112.7
54G86.4Confident93.9Very high87 Ų8765.3 Ų65.390%0.89740%0.4SS*.THydrogen-bonded Turntrans83.513.5176.800000115.4
55V93.4Very high94Very high21 Ų2161.3 Ų61.313%0.12738%0.381CS..PPolyproline II helixtrans-82.3133.2176.2178.40000109.5R16 L18 Y36 V51 P52 T57R16-V55 HydrophobicContact CB-CB 4.4Å; R16-V55 HydrophobicContact CB-CG1 4.24Å; R16-V55 HydrophobicContact CB-CG2 3.87Å; L18-V55 HydrophobicContact CB-CG1 3.71Å; Y36-V55 HydrophobicContact CD2-CG1 4.43Å; Y36-V55 HydrophobicContact CE2-CG1 4.24Å; Y36-V55 HydrophobicContact CE2-CG2 3.97Å; V51-V55 HydrophobicContact CB-CG2 4.38Å; V51-V55 HydrophobicContact CG2-CB 4.34Å; V51-V55 HydrophobicContact CG2-CG2 4.24Å; P52-V55 WeakPolarHBondContact O-CG2 3.35Å; V55-T57 PolarHBondContact O-N 2.64Å
56K93.8Very high94Very high90 Ų9059.1 Ų59.139%0.39137%0.37SS..EExtended strand (participates in β ladder)trans-74.3125.3172176.5176.2174.9-178.10108.6R16 L17 L18 I452 E455R16-K56 PolarHBondContact O-N 2.95Å; L17-K56 WeakPolarHBondContact CA-O 3.39Å; L17-K56 HydrophobicContact CD2-CB 3.86Å; L17-K56 HydrophobicContact CD2-CD 4.35Å; L17-K56 HydrophobicContact CD2-CG 4.29Å; L18-K56 PolarHBondContact N-O 2.82Å; K56-I452 HydrophobicContact CD-CD1 3.66Å; K56-I452 VanDerWaalsContact CE-CD1 3.41Å; K56-E455 VanDerWaalsContact NZ-CD 3.29Å; K56-E455 IonicContact NZ-OE1 2.78Å; K56-E455 PolarHBondContact NZ-OE1 2.93Å; K56-E455 IonicContact NZ-OE2 2.99Å; K56-E455 PolarHBondContact NZ-OE2 2.91Å
57T95.3Very high94.1Very high67 Ų6758.3 Ų58.341%0.41136%0.361SS..EExtended strand (participates in β ladder)trans-96.5135.7177.2-58.20000110.6L18 K20 V55L18-T57 CarbonylContact O-C 3.53Å; L18-T57 VanDerWaalsContact O-CA 3.3Å; L18-T57 WeakPolarHBondContact O-CA 3.36Å; K20-T57 HydrophobicContact CB-CG2 4.47Å; K20-T57 HydrophobicContact CD-CG2 3.77Å; K20-T57 HydrophobicContact CG-CG2 3.81Å; V55-T57 PolarHBondContact O-N 2.64Å
58I96.4Very high94.4Very high10 Ų1052.8 Ų52.85%0.05133%0.332CS..EExtended strand (participates in β ladder)trans-119118.5175.3-46.1170.3000107.4L17 L18 I19 K20 I411 V445 I447 I452L17-I58 HydrophobicContact CD1-CD1 4.48Å; L18-I58 PolarHBondContact O-N 3.28Å; I19-I58 WeakPolarHBondContact CA-O 3.15Å; I19-I58 HydrophobicContact CG1-CD1 4.41Å; K20-I58 PolarHBondContact N-O 2.8Å; I58-I411 HydrophobicContact CB-CD1 4.25Å; I58-I411 HydrophobicContact CG2-CD1 3.4Å; I58-I411 VanDerWaalsContact CG2-CD1 3.4Å; I58-V445 HydrophobicContact CD1-CG1 4.38Å; I58-V445 HydrophobicContact CG2-CG2 4.22Å; I58-I447 HydrophobicContact CD1-CD1 3.81Å; I58-I452 HydrophobicContact CD1-CD1 3.58Å; I58-I452 HydrophobicContact CD1-CG1 3.88Å; I58-I452 HydrophobicContact CG1-CD1 4.09Å
59E95.9Very high94.8Very high114 Ų11446.2 Ų46.253%0.53330%0.297SS..EExtended strand (participates in β ladder)trans-81.5124.7178.5-66-64.1147.800110N61E59-N61 PolarHBondContact OE2-ND2 3.47Å
60A97Very high95Very high0 Ų045 Ų450%029%0.291CS..  trans-119.319.4-178.700000112.6I19 K20 G22 G62 K63 V65 I411I19-A60 HydrophobicContact CG2-CB 3.65Å; K20-A60 PolarHBondContact O-N 3.35Å; G22-A60 WeakPolarHBondContact CA-O 3.36Å; A60-G62 PolarHBondContact O-N 3.1Å; A60-K63 WeakPolarHBondContact O-CA 3.33Å; A60-K63 WeakPolarHBondContact O-CB 3.38Å; A60-K63 PolarHBondContact O-N 2.89Å; A60-V65 HydrophobicContact CB-CG2 4.09Å; A60-I411 HydrophobicContact CB-CD1 4.19Å; A60-I411 HydrophobicContact CB-CG2 4.13Å
61N95.1Very high95.4Very high104 Ų10437.6 Ų37.656%0.55625%0.252SS*.THydrogen-bonded Turntrans-55.1126.7-179.4-61.9-65.2000111.6G21 E59 K63G21-N61 WeakPolarHBondContact O-CA 3.38Å; E59-N61 PolarHBondContact OE2-ND2 3.47Å; N61-K63 PolarHBondContact O-N 2.87Å
62G94.7Very high95.8Very high69 Ų6935.6 Ų35.671%0.71124%0.241SC*.THydrogen-bonded Turntrans70.18.3-177.500000114.5A60A60-G62 PolarHBondContact O-N 3.1Å
63K97.6Very high96.2Very high48 Ų4832.8 Ų32.821%0.20922%0.222CC..SBendtrans-111159175.3-53.7-57.2175.9-159.90110.7R23 A60 N61 I411 D413 L444R23-K63 PolarHBondContact N-O 2.88Å; A60-K63 WeakPolarHBondContact O-CA 3.33Å; A60-K63 WeakPolarHBondContact O-CB 3.38Å; A60-K63 PolarHBondContact O-N 2.89Å; N61-K63 PolarHBondContact O-N 2.87Å; K63-I411 HydrophobicContact CB-CG2 3.7Å; K63-I411 HydrophobicContact CG-CG2 4.21Å; K63-D413 HydrophobicContact CD-CB 4.08Å; K63-D413 WeakPolarHBondContact CE-OD2 3.28Å; K63-D413 IonicContact NZ-OD1 3Å; K63-D413 PolarHBondContact NZ-OD1 2.79Å; K63-D413 IonicContact NZ-OD2 3.69Å; K63-D413 PolarHBondContact NZ-OD2 3.45Å; K63-L444 HydrophobicContact CG-CD2 4.5Å
64M98.3Very high96.8Very high2 Ų229.5 Ų29.51%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-88.5148.1171.4-73.617049.600110.3R23 V25 I66 W366 E377 I411 W412 T414R23-M64 VanDerWaalsContact NH2-CG 3.31Å; R23-M64 PolarHBondContact NH2-SD 3.15Å; R23-M64 CarbonylContact O-C 3.4Å; R23-M64 WeakPolarHBondContact O-CA 3.01Å; V25-M64 HydrophobicContact CB-CE 4.09Å; V25-M64 HydrophobicContact CG1-CE 4.22Å; V25-M64 HydrophobicContact CG2-CB 4.47Å; V25-M64 HydrophobicContact CG2-CE 3.76Å; V25-M64 HydrophobicContact CG2-CG 4.1Å; V25-M64 HydrophobicContact CG2-SD 4.47Å; M64-I66 HydrophobicContact CE-CG2 3.75Å; M64-W366 HydrophobicContact CE-CH2 3.67Å; M64-W366 HydrophobicContact CE-CZ3 3.65Å; M64-W366 HydrophobicContact SD-CH2 3.43Å; M64-W366 WeakPolarHBondContact SD-CH2 3.37Å; M64-W366 HydrophobicContact SD-CZ2 4.27Å; M64-W366 HydrophobicContact SD-CZ3 4.06Å; M64-E377 HydrophobicContact CE-CB 3.8Å; M64-E377 HydrophobicContact SD-CB 4.44Å; M64-I411 CarbonylContact O-C 3.53Å; M64-I411 WeakPolarHBondContact O-CA 3.28Å; M64-W412 HydrophobicContact CB-CB 4.2Å; M64-W412 PolarHBondContact N-O 3.42Å; M64-W412 VanDerWaalsContact N-O 3.08Å; M64-W412 PolarHBondContact O-N 3.08Å; M64-T414 HydrophobicContact CG-CG2 4.15Å; M64-T414 HydrophobicContact SD-CG2 3.43Å; M64-T414 WeakPolarHBondContact SD-CG2 3.33Å
65V98.8Very high97.4Very high1 Ų125.9 Ų25.91%0.00615%0.148CC..EExtended strand (participates in β ladder)trans-117.7116.8166.4-166.60000107.3I19 R23 I24 V25 I35 A60 I401 L409 V410I19-V65 HydrophobicContact CD1-CG1 4.07Å; I19-V65 HydrophobicContact CG2-CG2 3.96Å; R23-V65 PolarHBondContact O-N 3.47Å; I24-V65 WeakPolarHBondContact CA-O 3.47Å; V25-V65 PolarHBondContact N-O 2.81Å; I35-V65 HydrophobicContact CD1-CB 4.33Å; I35-V65 HydrophobicContact CD1-CG1 3.76Å; A60-V65 HydrophobicContact CB-CG2 4.09Å; V65-I401 HydrophobicContact CB-CD1 4.32Å; V65-I401 HydrophobicContact CG1-CD1 3.95Å; V65-I401 WeakPolarHBondContact O-CD1 3.22Å; V65-L409 HydrophobicContact CG1-CB 4.47Å; V65-V410 WeakPolarHBondContact CA-O 3.27Å
66I98.9Very high97.6Very high0 Ų024.9 Ų24.90%014%0.142CC..EExtended strand (participates in β ladder)trans-120.2155.5-176.956.7176000110.1V25 M64 M362 F380 V381 L409 V410 W412V25-I66 HydrophobicContact CB-CG2 3.95Å; V25-I66 HydrophobicContact CG1-CG2 4.46Å; M64-I66 HydrophobicContact CE-CG2 3.75Å; I66-M362 HydrophobicContact CD1-CE 3.69Å; I66-F380 HydrophobicContact CD1-CE1 3.8Å; I66-V381 HydrophobicContact CB-CG2 4.05Å; I66-V381 HydrophobicContact CG2-CG2 3.69Å; I66-L409 WeakPolarHBondContact O-CA 3.33Å; I66-V410 HydrophobicContact CD1-CB 4.28Å; I66-V410 HydrophobicContact CG1-CB 3.82Å; I66-V410 HydrophobicContact CG1-CG1 4.44Å; I66-V410 PolarHBondContact N-O 3.16Å; I66-V410 PolarHBondContact O-N 3.22Å; I66-W412 HydrophobicContact CD1-CB 4.14Å; I66-W412 HydrophobicContact CD1-CD2 4.36Å; I66-W412 HydrophobicContact CD1-CE3 4.2Å; I66-W412 HydrophobicContact CD1-CG 4.36Å; I66-W412 HydrophobicContact CG1-CB 4.42Å
67P98.9Very high97.8Very high3 Ų322 Ų222%0.01913%0.13CC..EExtended strand (participates in β ladder)trans-54.4142.8164-18.729.7000109.7V25 V381 I401V25-P67 WeakPolarHBondContact O-CD 3.23Å; P67-V381 HydrophobicContact CG-CG1 3.83Å; P67-I401 HydrophobicContact CG-CG1 3.97Å
68G98.9Very high97.8Very high3 Ų319.4 Ų19.43%0.03111%0.113CC..PPolyproline II helixtrans-59.1142.517100000111.5T102 S385 D408G68-T102 VanDerWaalsContact CA-OG1 3.3Å; G68-T102 WeakPolarHBondContact CA-OG1 3.37Å; G68-S385 WeakPolarHBondContact O-CB 3.35Å; G68-D408 PolarHBondContact N-O 2.96Å
69G98.9Very high97.7Very high0 Ų021.7 Ų21.70%013%0.129CC..EExtended strand (participates in β ladder)trans-60145.2-179.500000111.3G100 T101 T102 M103G69-G100 PolarHBondContact N-O 3.16Å; G69-T101 CarbonylContact O-C 3.44Å; G69-T101 WeakPolarHBondContact O-CA 3.39Å; G69-T101 WeakPolarHBondContact O-CG2 3.39Å; G69-T102 PolarHBondContact O-N 3.01Å; G69-M103 PolarHBondContact O-N 2.88Å
70I98.9Very high97.3Very high1 Ų118.4 Ų18.41%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-113112.2170.1-54.1-178.3000106.9M103 R361 T384 A388 A389 L392 K398I70-M103 WeakPolarHBondContact CA-O 3.3Å; I70-M103 HydrophobicContact CG1-CB 4.24Å; I70-M103 HydrophobicContact CG2-CB 4.24Å; I70-M103 HydrophobicContact CG2-CG 4.29Å; I70-M103 HydrophobicContact CG2-SD 4.22Å; I70-R361 PolarHBondContact O-NH1 2.96Å; I70-T384 PolarHBondContact N-O 2.88Å; I70-A388 HydrophobicContact CB-CB 3.9Å; I70-A388 HydrophobicContact CG2-CB 3.79Å; I70-A389 HydrophobicContact CD1-CB 3.81Å; I70-L392 HydrophobicContact CG2-CD1 4.23Å; I70-K398 HydrophobicContact CD1-CB 3.9Å
71D98.9Very high96.7Very high0 Ų025.5 Ų25.50%014%0.139CC..EExtended strand (participates in β ladder)trans-89.2107.5172-164.6-25.1000108.8H73 T74 T101 M103 I104 V105 G330 S331 R361D71-H73 VanDerWaalsContact C-N 3.25Å; D71-H73 PolarHBondContact O-N 2.73Å; D71-H73 PolarHBondContact OD1-N 2.9Å; D71-T74 HydrophobicContact CB-CG2 4.34Å; D71-T101 HydrophobicContact CB-CG2 3.79Å; D71-M103 PolarHBondContact N-O 2.86Å; D71-I104 HydrophobicContact CB-CG2 4.32Å; D71-I104 CarbonylContact O-C 3.5Å; D71-I104 VanDerWaalsContact O-CA 3.31Å; D71-I104 WeakPolarHBondContact O-CA 3.44Å; D71-V105 PolarHBondContact O-N 3.46Å; D71-G330 VanDerWaalsContact OD1-CA 3.25Å; D71-G330 WeakPolarHBondContact OD1-CA 3.28Å; D71-S331 PolarHBondContact OD1-N 3.47Å; D71-S331 PolarHBondContact OD1-OG 3.32Å; D71-S331 WeakPolarHBondContact OD2-CB 3.22Å; D71-S331 PolarHBondContact OD2-N 3.15Å; D71-S331 PolarHBondContact OD2-OG 3.5Å; D71-R361 IonicContact OD2-NE 3.51Å
72I98.6Very high96.2Very high0 Ų024.9 Ų24.90%016%0.157CC..EExtended strand (participates in β ladder)trans-84.94.5-173.8-165.4164.1000112.8V105 H138 Y251 E277 V328 A388 I391 L392I72-V105 HydrophobicContact CG1-CB 4.47Å; I72-V105 HydrophobicContact CG1-CG2 4.33Å; I72-H138 PolarHBondContact O-CD2 3.46Å; I72-H138 PolarHBondContact O-NE2 3.4Å; I72-Y251 HydrophobicContact CD1-CE2 4.31Å; I72-Y251 VanDerWaalsContact CG2-OH 3.23Å; I72-Y251 WeakPolarHBondContact CG2-OH 3.47Å; I72-E277 VanDerWaalsContact CG2-OE1 3.27Å; I72-E277 WeakPolarHBondContact CG2-OE1 3.25Å; I72-V328 HydrophobicContact CG2-CG2 4.03Å; I72-A388 HydrophobicContact CB-CB 4.3Å; I72-A388 HydrophobicContact CD1-CB 4.13Å; I72-I391 HydrophobicContact CD1-CG2 4.08Å; I72-L392 HydrophobicContact CD1-CD1 3.97Å; I72-L392 HydrophobicContact CD1-CD2 3.98Å; I72-L392 HydrophobicContact CD1-CG 3.8Å; I72-L392 HydrophobicContact CG1-CD1 4.19Å; I72-L392 HydrophobicContact CG1-CD2 4.27Å; I72-L392 HydrophobicContact CG1-CG 4.38Å
73H98.8Very high96.1Very high0 Ų023.1 Ų23.10%013%0.132CC..EExtended strand (participates in β ladder)trans-150.1101.7-177.2-165.9150.9000111.3D71 H75 H107 E277 S331 A332D71-H73 VanDerWaalsContact C-N 3.25Å; D71-H73 PolarHBondContact O-N 2.73Å; D71-H73 PolarHBondContact OD1-N 2.9Å; H73-H75 AromaticContact CD2-CD2 3.81Å; H73-H75 AromaticContact CD2-NE2 3.23Å; H73-H75 PolarHBondContact CD2-NE2 3.08Å; H73-H75 AromaticContact NE2-CD2 3.9Å; H73-H75 AromaticContact NE2-CE1 3.9Å; H73-H75 AromaticContact NE2-NE2 2.97Å; H73-H75 PolarHBondContact NE2-NE2 2.9Å; H73-H107 AromaticContact CD2-CD2 3.51Å; H73-H107 AromaticContact CD2-NE2 3.43Å; H73-H107 PolarHBondContact CD2-NE2 3.4Å; H73-H107 AromaticContact CE1-NE2 3.82Å; H73-H107 AromaticContact CG-NE2 3.73Å; H73-H107 AromaticContact ND1-NE2 3.98Å; H73-H107 AromaticContact NE2-CD2 3.81Å; H73-H107 AromaticContact NE2-NE2 3.55Å; H73-E277 WeakPolarHBondContact CB-OE1 3.4Å; H73-E277 IonicContact CE1-OE2 3.59Å; H73-E277 IonicContact CG-OE1 3.7Å; H73-E277 IonicContact CG-OE2 3.63Å; H73-E277 IonicContact ND1-OE1 3.59Å; H73-E277 IonicContact ND1-OE2 3.87Å; H73-E277 PolarHBondContact ND1-OE2 3.41Å; H73-S331 PolarHBondContact O-OG 3.12Å; H73-A332 WeakPolarHBondContact O-CA 3.49Å; H73-A332 PolarHBondContact O-N 3.29Å
74T98.9Very high96Very high0 Ų023.6 Ų23.60%014%0.139CC..EExtended strand (participates in β ladder)trans-135.9157.9177.750.20000111.4D71 F76 I104 V105 D106 H107 V358D71-T74 HydrophobicContact CB-CG2 4.34Å; T74-F76 HydrophobicContact CG2-CE1 4.45Å; T74-F76 HydrophobicContact CG2-CE2 4.11Å; T74-F76 HydrophobicContact CG2-CZ 3.85Å; T74-I104 HydrophobicContact CG2-CB 4.25Å; T74-I104 HydrophobicContact CG2-CG2 4.32Å; T74-V105 PolarHBondContact N-O 3.25Å; T74-V105 VanDerWaalsContact OG1-C 3.3Å; T74-V105 PolarHBondContact OG1-O 3.12Å; T74-D106 WeakPolarHBondContact O-CA 3.44Å; T74-D106 WeakPolarHBondContact OG1-CA 3.49Å; T74-D106 PolarHBondContact OG1-OD2 3.33Å; T74-H107 PolarHBondContact O-N 3.46Å; T74-H107 VanDerWaalsContact O-N 3.1Å; T74-V358 HydrophobicContact CG2-CG2 4.34Å
75H98.6Very high96Very high11 Ų1123.9 Ų23.95%0.05114%0.141CC..  trans-137.470.5177.7-61.7-88000110.6H73 M78 T85 D106 H107 H333 C334H73-H75 AromaticContact CD2-CD2 3.81Å; H73-H75 AromaticContact CD2-NE2 3.23Å; H73-H75 PolarHBondContact CD2-NE2 3.08Å; H73-H75 AromaticContact NE2-CD2 3.9Å; H73-H75 AromaticContact NE2-CE1 3.9Å; H73-H75 AromaticContact NE2-NE2 2.97Å; H73-H75 PolarHBondContact NE2-NE2 2.9Å; H75-M78 HydrophobicContact CB-CB 4.16Å; H75-M78 HydrophobicContact CB-SD 3.97Å; H75-T85 PolarHBondContact O-OG1 3.06Å; H75-D106 WeakPolarHBondContact CA-OD2 3.35Å; H75-D106 PolarHBondContact N-OD2 2.86Å; H75-H107 VanDerWaalsContact CE1-CB 3.46Å; H75-H107 WeakPolarHBondContact CE1-CB 3.39Å; H75-H107 AromaticContact CE1-CD2 3.66Å; H75-H107 AromaticContact CE1-CG 3.57Å; H75-H107 AromaticContact NE2-CD2 3.81Å; H75-H333 PolarHBondContact N-O 3.36Å; H75-C334 HydrophobicContact CB-CB 3.85Å
76F98.6Very high95.9Very high0 Ų025.8 Ų25.80%015%0.153CC..THydrogen-bonded Turntrans-86.8138.1179.6-61-37.1000112.3T74 M78 D87 F89 G92 I104 D106 H333 V358T74-F76 HydrophobicContact CG2-CE1 4.45Å; T74-F76 HydrophobicContact CG2-CE2 4.11Å; T74-F76 HydrophobicContact CG2-CZ 3.85Å; F76-M78 PolarHBondContact O-N 3.33Å; F76-D87 WeakPolarHBondContact CA-O 3.4Å; F76-D87 HydrophobicContact CD1-CB 4.34Å; F76-F89 HydrophobicContact CB-CD1 4.06Å; F76-F89 HydrophobicContact CB-CD2 4.3Å; F76-F89 HydrophobicContact CB-CE1 4.12Å; F76-F89 HydrophobicContact CB-CE2 4.36Å; F76-F89 HydrophobicContact CB-CG 4.14Å; F76-F89 HydrophobicContact CB-CZ 4.26Å; F76-F89 AromaticContact CD2-CD1 3.92Å; F76-F89 HydrophobicContact CD2-CD1 3.92Å; F76-F89 HydrophobicContact CD2-CE1 4.14Å; F76-G92 VanDerWaalsContact CE1-CA 3.44Å; F76-G92 VanDerWaalsContact CZ-C 3.49Å; F76-I104 HydrophobicContact CD2-CD1 3.98Å; F76-I104 HydrophobicContact CE2-CB 4.28Å; F76-I104 HydrophobicContact CE2-CD1 3.89Å; F76-I104 HydrophobicContact CE2-CG1 4.02Å; F76-I104 HydrophobicContact CE2-CG2 4.18Å; F76-D106 PolarHBondContact N-OD2 2.81Å; F76-H333 HydrophobicContact CE1-CB 4.43Å; F76-H333 AromaticContact CE1-CD2 3.54Å; F76-V358 HydrophobicContact CZ-CG1 4.43Å; F76-V358 HydrophobicContact CZ-CG2 4.15Å
77Q97.3Very high95.9Very high28 Ų2825.8 Ų25.813%0.13115%0.153CC..THydrogen-bonded Turntrans51.527.6-178.2-151.4-175-73.200113.6P79 T84 T85 D87 D88 F89 W126Q77-P79 WeakPolarHBondContact O-CD 3.47Å; Q77-T84 HydrophobicContact CB-CG2 4.48Å; Q77-T84 HydrophobicContact CG-CG2 3.98Å; Q77-T84 WeakPolarHBondContact O-CG2 3.36Å; Q77-T85 WeakPolarHBondContact CA-OG1 3.42Å; Q77-T85 PolarHBondContact N-OG1 2.75Å; Q77-D87 PolarHBondContact N-O 2.69Å; Q77-D88 HydrophobicContact CB-CB 4Å; Q77-D88 HydrophobicContact CG-CB 4.03Å; Q77-F89 HydrophobicContact CB-CD2 4.31Å; Q77-W126 VanDerWaalsContact NE2-CE2 3.34Å
78M96.1Very high95.9Very high13 Ų1327.6 Ų27.66%0.06416%0.162CC..  trans-73.2122.8-174.8-176.4-157.176.300109.5H75 F76 Y80 T84 T85 I109 F336H75-M78 HydrophobicContact CB-CB 4.16Å; H75-M78 HydrophobicContact CB-SD 3.97Å; F76-M78 PolarHBondContact O-N 3.33Å; M78-Y80 HydrophobicContact CE-CD2 3.91Å; M78-Y80 HydrophobicContact CE-CG 4.3Å; M78-T84 WeakPolarHBondContact O-CA 3.49Å; M78-T85 HydrophobicContact CB-CG2 4.05Å; M78-T85 HydrophobicContact CE-CG2 4.2Å; M78-T85 PolarHBondContact N-OG1 2.65Å; M78-T85 PolarHBondContact O-N 3.45Å; M78-T85 VanDerWaalsContact O-N 3.1Å; M78-I109 HydrophobicContact CG-CD1 4.25Å; M78-I109 HydrophobicContact SD-CD1 3.72Å; M78-F336 HydrophobicContact CE-CZ 4.19Å
79P93.8Very high95.9Very high58 Ų5827.4 Ų27.438%0.37716%0.161SC..EExtended strand (participates in β ladder)trans-62.8138.9170.1-20.333.5000111.2Q77 W123 W126Q77-P79 WeakPolarHBondContact O-CD 3.47Å; P79-W123 HydrophobicContact CG-CH2 4.4Å; P79-W126 HydrophobicContact CG-CH2 4.02Å; P79-W126 HydrophobicContact CG-CZ3 4.4Å
80Y88.4Confident95.8Very high45 Ų4528.3 Ų28.318%0.17617%0.168CC..EExtended strand (participates in β ladder)trans-146.6108.1177.7-173.8-93.9000110M78 G82 T83 F336 P352M78-Y80 HydrophobicContact CE-CD2 3.91Å; M78-Y80 HydrophobicContact CE-CG 4.3Å; Y80-G82 VanDerWaalsContact C-N 3.27Å; Y80-G82 PolarHBondContact O-N 3.01Å; Y80-T83 HydrophobicContact CD1-CG2 4.38Å; Y80-T83 PolarHBondContact N-O 2.92Å; Y80-T83 WeakPolarHBondContact O-CG2 3.49Å; Y80-T83 PolarHBondContact O-N 3.43Å; Y80-F336 HydrophobicContact CD1-CE1 4.24Å; Y80-F336 HydrophobicContact CD1-CZ 4.23Å; Y80-F336 HydrophobicContact CD2-CZ 4.4Å; Y80-F336 HydrophobicContact CG-CE1 4.18Å; Y80-F336 AromaticContact CG-CZ 3.95Å; Y80-F336 HydrophobicContact CG-CZ 3.95Å; Y80-P352 HydrophobicContact CD1-CB 3.92Å; Y80-P352 HydrophobicContact CD1-CG 4.15Å; Y80-P352 HydrophobicContact CE1-CB 3.69Å; Y80-P352 HydrophobicContact CE1-CG 3.9Å
81R84Confident95.8Very high149 Ų14931 Ų3156%0.56218%0.181SC*.THydrogen-bonded Turntrans44.445.9173.2-63.4-172.6172.51755.5114.6
82G84.6Confident95.8Very high91 Ų9131 Ų3194%0.93818%0.181SC*.THydrogen-bonded Turntrans844.1178.500000115.6Y80Y80-G82 VanDerWaalsContact C-N 3.27Å; Y80-G82 PolarHBondContact O-N 3.01Å
83T92.2Very high95.8Very high33 Ų3331 Ų3120%0.20218%0.181CC..EExtended strand (participates in β ladder)trans-119.7-179.3165.3-171.20000110.2Y80 F336 Q340Y80-T83 HydrophobicContact CD1-CG2 4.38Å; Y80-T83 PolarHBondContact N-O 2.92Å; Y80-T83 WeakPolarHBondContact O-CG2 3.49Å; Y80-T83 PolarHBondContact O-N 3.43Å; T83-F336 HydrophobicContact CG2-CE1 4.4Å; T83-Q340 PolarHBondContact OG1-NE2 2.82Å
84T96.2Very high95.8Very high57 Ų5734.1 Ų34.135%0.3519%0.194SC..EExtended strand (participates in β ladder)trans-135.2153176.8-52.90000109.4Q77 M78 Q340Q77-T84 HydrophobicContact CB-CG2 4.48Å; Q77-T84 HydrophobicContact CG-CG2 3.98Å; Q77-T84 WeakPolarHBondContact O-CG2 3.36Å; M78-T84 WeakPolarHBondContact O-CA 3.49Å; T84-Q340 PolarHBondContact O-NE2 3.37Å
85T97.6Very high95.7Very high8 Ų834.1 Ų34.15%0.04919%0.194CC..  trans-56.4149.2170.753.90000111.4H75 Q77 M78 D87 C334 T335 F336H75-T85 PolarHBondContact O-OG1 3.06Å; Q77-T85 WeakPolarHBondContact CA-OG1 3.42Å; Q77-T85 PolarHBondContact N-OG1 2.75Å; M78-T85 HydrophobicContact CB-CG2 4.05Å; M78-T85 HydrophobicContact CE-CG2 4.2Å; M78-T85 PolarHBondContact N-OG1 2.65Å; M78-T85 PolarHBondContact O-N 3.45Å; M78-T85 VanDerWaalsContact O-N 3.1Å; T85-D87 PolarHBondContact OG1-O 3.44Å; T85-C334 VanDerWaalsContact CG2-SG 3.58Å; T85-T335 CarbonylContact C-O 3.6Å; T85-T335 WeakPolarHBondContact CA-O 3.27Å; T85-T335 VanDerWaalsContact CB-O 3.26Å; T85-T335 WeakPolarHBondContact CB-O 3.27Å; T85-F336 HydrophobicContact CG2-CE1 4.07Å; T85-F336 HydrophobicContact CG2-CE2 4.36Å; T85-F336 HydrophobicContact CG2-CZ 3.9Å
86V97.8Very high95.7Very high41 Ų4133.6 Ų33.625%0.24819%0.191CC..SBendtrans-75.8-31.5-175.4-63.90000112.8T335 Q340 A428 A429V86-T335 WeakPolarHBondContact CG2-OG1 3.22Å; V86-T335 PolarHBondContact N-O 3.26Å; V86-Q340 VanDerWaalsContact CG1-OE1 3.26Å; V86-A428 HydrophobicContact CB-CB 4.23Å; V86-A428 HydrophobicContact CG2-CB 4.25Å; V86-A429 HydrophobicContact CG2-CB 4.19Å
87D98.3Very high95.8Very high0 Ų033.6 Ų33.60%019%0.191CC..  trans-87113.6172.7-71.6-54.9000110F76 Q77 T85 Q91 H333 T335 S427 A428F76-D87 WeakPolarHBondContact CA-O 3.4Å; F76-D87 HydrophobicContact CD1-CB 4.34Å; Q77-D87 PolarHBondContact N-O 2.69Å; T85-D87 PolarHBondContact OG1-O 3.44Å; D87-Q91 WeakPolarHBondContact OD1-CG 3.46Å; D87-H333 IonicContact OD2-CE1 3.74Å; D87-H333 IonicContact OD2-NE2 2.69Å; D87-H333 PolarHBondContact OD2-NE2 3.49Å; D87-T335 WeakPolarHBondContact CB-OG1 3.22Å; D87-T335 PolarHBondContact OD2-OG1 2.95Å; D87-S427 WeakPolarHBondContact OD1-CA 3.49Å; D87-S427 WeakPolarHBondContact OD2-CB 3.24Å; D87-S427 PolarHBondContact OD2-OG 3.03Å; D87-A428 WeakPolarHBondContact OD1-CB 3.2Å; D87-A428 PolarHBondContact OD1-N 2.96Å
88D98.3Very high95.8Very high41 Ų4132.5 Ų32.522%0.21919%0.187CC..  trans-85.7-179.8168.579.4-4.5000111.5Q77 A90 Q91 G92 K130Q77-D88 HydrophobicContact CB-CB 4Å; Q77-D88 HydrophobicContact CG-CB 4.03Å; D88-A90 PolarHBondContact O-N 3.1Å; D88-A90 VanDerWaalsContact O-N 3.17Å; D88-A90 WeakPolarHBondContact OD1-CA 3.41Å; D88-A90 WeakPolarHBondContact OD1-CB 3.23Å; D88-A90 PolarHBondContact OD1-N 3.11Å; D88-Q91 PolarHBondContact O-N 3.02Å; D88-Q91 PolarHBondContact OD1-N 3.3Å; D88-G92 PolarHBondContact O-N 3.45Å; D88-K130 WeakPolarHBondContact OD2-CD 3.41Å; D88-K130 IonicContact OD2-NZ 3.29Å; D88-K130 PolarHBondContact OD2-NZ 3.27Å
89F98.6Very high95.9Very high0 Ų032 Ų320%019%0.186CC..Hα-helixtrans-59.2-27.6179.5-80.1-77.3000113.7F76 Q77 S93 I104 D106 W123 W126 A127 K130F76-F89 HydrophobicContact CB-CD1 4.06Å; F76-F89 HydrophobicContact CB-CD2 4.3Å; F76-F89 HydrophobicContact CB-CE1 4.12Å; F76-F89 HydrophobicContact CB-CE2 4.36Å; F76-F89 HydrophobicContact CB-CG 4.14Å; F76-F89 HydrophobicContact CB-CZ 4.26Å; F76-F89 AromaticContact CD2-CD1 3.92Å; F76-F89 HydrophobicContact CD2-CD1 3.92Å; F76-F89 HydrophobicContact CD2-CE1 4.14Å; Q77-F89 HydrophobicContact CB-CD2 4.31Å; F89-S93 VanDerWaalsContact O-CB 3.23Å; F89-S93 WeakPolarHBondContact O-CB 3.36Å; F89-S93 PolarHBondContact O-N 2.85Å; F89-S93 PolarHBondContact O-OG 2.91Å; F89-I104 HydrophobicContact CD1-CD1 4.37Å; F89-I104 HydrophobicContact CE1-CD1 4.11Å; F89-D106 HydrophobicContact CE1-CB 3.79Å; F89-D106 HydrophobicContact CZ-CB 3.94Å; F89-W123 AromaticContact CZ-CD1 3.89Å; F89-W126 HydrophobicContact CD2-CB 3.98Å; F89-W126 HydrophobicContact CE2-CB 4.12Å; F89-A127 HydrophobicContact CD1-CB 3.66Å; F89-A127 HydrophobicContact CD2-CB 4Å; F89-A127 HydrophobicContact CE1-CB 3.68Å; F89-A127 HydrophobicContact CE2-CB 4.02Å; F89-A127 HydrophobicContact CG-CB 3.83Å; F89-A127 HydrophobicContact CZ-CB 3.88Å; F89-K130 HydrophobicContact CB-CB 3.73Å
90A98.3Very high96.1Very high18 Ų1829.3 Ų29.315%0.14917%0.168CC..Hα-helixtrans-75.9-52.3177.800000110.4D88 S93 K94 K130D88-A90 PolarHBondContact O-N 3.1Å; D88-A90 VanDerWaalsContact O-N 3.17Å; D88-A90 WeakPolarHBondContact OD1-CA 3.41Å; D88-A90 WeakPolarHBondContact OD1-CB 3.23Å; D88-A90 PolarHBondContact OD1-N 3.11Å; A90-S93 PolarHBondContact O-OG 3.45Å; A90-K94 WeakPolarHBondContact O-CB 3.08Å; A90-K94 PolarHBondContact O-N 3.12Å; A90-K94 VanDerWaalsContact O-N 3.08Å; A90-K130 WeakPolarHBondContact CA-O 3.48Å; A90-K130 HydrophobicContact CB-CB 4.04Å
91Q98.1Very high96.6Very high59 Ų5927.1 Ų27.128%0.27616%0.16SC..Hα-helixtrans-68.3-44.5-178.2-166.77124.300112D87 D88 K94 A95 N426 A428D87-Q91 WeakPolarHBondContact OD1-CG 3.46Å; D88-Q91 PolarHBondContact O-N 3.02Å; D88-Q91 PolarHBondContact OD1-N 3.3Å; Q91-K94 WeakPolarHBondContact O-CB 3.38Å; Q91-K94 PolarHBondContact O-N 3.31Å; Q91-A95 PolarHBondContact O-N 3.27Å; Q91-N426 PolarHBondContact NE2-O 3.29Å; Q91-A428 HydrophobicContact CG-CB 4.1Å
92G98.4Very high97.4Very high0 Ų020.1 Ų20.10%013%0.134CC..Hα-helixtrans-63.9-45.1-179.400000113.2F76 D88 K94 A95 A96F76-G92 VanDerWaalsContact CE1-CA 3.44Å; F76-G92 VanDerWaalsContact CZ-C 3.49Å; D88-G92 PolarHBondContact O-N 3.45Å; G92-K94 VanDerWaalsContact C-N 3.35Å; G92-A95 WeakPolarHBondContact O-CB 3.19Å; G92-A95 PolarHBondContact O-N 3.31Å; G92-A96 PolarHBondContact O-N 3.1Å
93S98.6Very high98Very high0 Ų015.8 Ų15.80%09%0.089CC..Hα-helixtrans-70.8-30.6176.264.10000112.9F89 A90 A96 L97 C132F89-S93 VanDerWaalsContact O-CB 3.23Å; F89-S93 WeakPolarHBondContact O-CB 3.36Å; F89-S93 PolarHBondContact O-N 2.85Å; F89-S93 PolarHBondContact O-OG 2.91Å; A90-S93 PolarHBondContact O-OG 3.45Å; S93-A96 WeakPolarHBondContact O-CB 3.32Å; S93-A96 PolarHBondContact O-N 3.35Å; S93-L97 WeakPolarHBondContact O-CG 3.25Å; S93-L97 PolarHBondContact O-N 2.8Å; S93-C132 VanDerWaalsContact OG-CB 3.3Å; S93-C132 WeakPolarHBondContact OG-CB 3.43Å; S93-C132 PolarHBondContact OG-N 2.85Å
94K98.3Very high98.4Very high64 Ų6414.3 Ų14.328%0.2788%0.079SC..Hα-helixtrans-61.2-46169.5179.6-174176.7-170.70111A90 Q91 G92 L97 A98 L459 V461A90-K94 WeakPolarHBondContact O-CB 3.08Å; A90-K94 PolarHBondContact O-N 3.12Å; A90-K94 VanDerWaalsContact O-N 3.08Å; Q91-K94 WeakPolarHBondContact O-CB 3.38Å; Q91-K94 PolarHBondContact O-N 3.31Å; G92-K94 VanDerWaalsContact C-N 3.35Å; K94-L97 PolarHBondContact O-N 2.94Å; K94-A98 PolarHBondContact O-N 2.93Å; K94-L459 HydrophobicContact CB-CD2 4.44Å; K94-L459 HydrophobicContact CD-CD2 4.05Å; K94-L459 HydrophobicContact CG-CD2 3.22Å; K94-L459 HydrophobicContact CG-CG 4.48Å; K94-V461 HydrophobicContact CB-CG2 4.38Å; K94-V461 HydrophobicContact CD-CG2 4.01Å; K94-V461 HydrophobicContact CG-CG1 4.47Å; K94-V461 HydrophobicContact CG-CG2 3.83Å
95A98.5Very high98.5Very high0 Ų011.6 Ų11.60%06%0.063CC..Hα-helixtrans-63-40.9175.400000112.1Q91 G92 L97 A98 G99 V358 E359 N426Q91-A95 PolarHBondContact O-N 3.27Å; G92-A95 WeakPolarHBondContact O-CB 3.19Å; G92-A95 PolarHBondContact O-N 3.31Å; A95-L97 PolarHBondContact O-N 3.08Å; A95-A98 PolarHBondContact O-N 2.92Å; A95-G99 PolarHBondContact O-N 3.33Å; A95-G99 VanDerWaalsContact O-N 3.1Å; A95-V358 HydrophobicContact CB-CG1 3.87Å; A95-E359 HydrophobicContact CB-CB 4.19Å; A95-E359 WeakPolarHBondContact O-CA 3.36Å; A95-E359 WeakPolarHBondContact O-CB 3.37Å; A95-E359 WeakPolarHBondContact O-CG 3.21Å; A95-N426 HydrophobicContact CB-CB 4.06Å
96A98.8Very high98.5Very high0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-55.8-50.4173.500000111.8G92 S93 A98 G99 G100 T101 I104 V358G92-A96 PolarHBondContact O-N 3.1Å; S93-A96 WeakPolarHBondContact O-CB 3.32Å; S93-A96 PolarHBondContact O-N 3.35Å; A96-A98 PolarHBondContact O-N 3.33Å; A96-G99 CarbonylContact O-C 3.53Å; A96-G99 PolarHBondContact O-N 3.42Å; A96-G99 VanDerWaalsContact O-N 3.11Å; A96-G100 PolarHBondContact O-N 2.9Å; A96-T101 CarbonylContact C-O 3.48Å; A96-T101 HydrophobicContact CB-CG2 3.99Å; A96-T101 WeakPolarHBondContact O-CA 3.48Å; A96-T101 WeakPolarHBondContact O-CB 3.46Å; A96-T101 PolarHBondContact O-N 2.88Å; A96-T101 VanDerWaalsContact O-O 3.13Å; A96-I104 HydrophobicContact CB-CG2 3.95Å; A96-V358 HydrophobicContact CB-CG2 3.56Å
97L98.8Very high98.6Very high0 Ų09.2 Ų9.20%05%0.049CC..Hα-helixtrans-62.3-40.4178.7-71.8172.2000112.2S93 K94 A95 G99 G100 T101 T102 C132 C133 V446 C448 V453 L459 V461S93-L97 WeakPolarHBondContact O-CG 3.25Å; S93-L97 PolarHBondContact O-N 2.8Å; K94-L97 PolarHBondContact O-N 2.94Å; A95-L97 PolarHBondContact O-N 3.08Å; L97-G99 PolarHBondContact O-N 2.95Å; L97-G100 PolarHBondContact O-N 2.79Å; L97-G100 VanDerWaalsContact O-N 3.1Å; L97-T101 WeakPolarHBondContact CA-O 3.3Å; L97-T101 PolarHBondContact N-O 2.94Å; L97-T102 HydrophobicContact CD2-CG2 4.3Å; L97-C132 HydrophobicContact CD1-CB 3.77Å; L97-C133 HydrophobicContact CD1-CB 4.21Å; L97-C133 HydrophobicContact CD2-CB 3.79Å; L97-C133 HydrophobicContact CG-CB 4.02Å; L97-V446 HydrophobicContact CD2-CG1 4.24Å; L97-V446 WeakPolarHBondContact O-CG2 3.49Å; L97-C448 HydrophobicContact CD2-CB 3.87Å; L97-V453 HydrophobicContact CB-CG2 4.32Å; L97-V453 HydrophobicContact CD1-CB 4.4Å; L97-V453 HydrophobicContact CD1-CG2 4.2Å; L97-V453 HydrophobicContact CD2-CG2 3.81Å; L97-V453 HydrophobicContact CG-CG2 4.33Å; L97-L459 HydrophobicContact CB-CD1 4.26Å; L97-V461 HydrophobicContact CD1-CG1 3.52Å
98A98.4Very high98.6Very high5 Ų59.2 Ų9.24%0.0415%0.049CC..Hα-helixtrans-60.7-31.7175.600000112.7K94 A95 A96 E359 N426 P443 L459K94-A98 PolarHBondContact O-N 2.93Å; A95-A98 PolarHBondContact O-N 2.92Å; A96-A98 PolarHBondContact O-N 3.33Å; A98-E359 HydrophobicContact CB-CG 4.32Å; A98-N426 HydrophobicContact CB-CB 4.25Å; A98-N426 VanDerWaalsContact CB-ND2 3.35Å; A98-N426 WeakPolarHBondContact CB-ND2 3.45Å; A98-P443 VanDerWaalsContact O-CG 3.22Å; A98-P443 WeakPolarHBondContact O-CG 3.28Å; A98-L459 HydrophobicContact CB-CD1 4.39Å; A98-L459 HydrophobicContact CB-CD2 4.23Å
99G98.3Very high98.5Very high4 Ų48.4 Ų8.44%0.0414%0.044CC..THydrogen-bonded Turntrans-84.1-517600000115.6A95 A96 L97 E359 M362A95-G99 PolarHBondContact O-N 3.33Å; A95-G99 VanDerWaalsContact O-N 3.1Å; A96-G99 CarbonylContact O-C 3.53Å; A96-G99 PolarHBondContact O-N 3.42Å; A96-G99 VanDerWaalsContact O-N 3.11Å; L97-G99 PolarHBondContact O-N 2.95Å; G99-E359 WeakPolarHBondContact CA-O 3.39Å; G99-M362 WeakPolarHBondContact O-CB 3.33Å; G99-M362 WeakPolarHBondContact O-CG 3.25Å
100G98.6Very high98.3Very high0 Ų08.5 Ų8.50%05%0.045CC..THydrogen-bonded Turntrans84.316.2-174.600000114.7G69 A96 L97 V410G69-G100 PolarHBondContact N-O 3.16Å; A96-G100 PolarHBondContact O-N 2.9Å; L97-G100 PolarHBondContact O-N 2.79Å; L97-G100 VanDerWaalsContact O-N 3.1Å; G100-V410 WeakPolarHBondContact O-CG2 3.48Å
101T98.9Very high97.9Very high0 Ų011.8 Ų11.80%06%0.057CC..EExtended strand (participates in β ladder)trans-92.6126.1168.8-64.20000109.2G69 D71 A96 L97 M103 I104 R361G69-T101 CarbonylContact O-C 3.44Å; G69-T101 WeakPolarHBondContact O-CA 3.39Å; G69-T101 WeakPolarHBondContact O-CG2 3.39Å; D71-T101 HydrophobicContact CB-CG2 3.79Å; A96-T101 CarbonylContact C-O 3.48Å; A96-T101 HydrophobicContact CB-CG2 3.99Å; A96-T101 WeakPolarHBondContact O-CA 3.48Å; A96-T101 WeakPolarHBondContact O-CB 3.46Å; A96-T101 PolarHBondContact O-N 2.88Å; A96-T101 VanDerWaalsContact O-O 3.13Å; L97-T101 WeakPolarHBondContact CA-O 3.3Å; L97-T101 PolarHBondContact N-O 2.94Å; T101-M103 VanDerWaalsContact CG2-O 3.26Å; T101-M103 WeakPolarHBondContact CG2-O 3.32Å; T101-I104 HydrophobicContact CG2-CG2 4.25Å; T101-R361 PolarHBondContact OG1-NH2 2.99Å
102T98.9Very high97.4Very high2 Ų211.3 Ų11.31%0.0126%0.059CC..EExtended strand (participates in β ladder)trans-114-2.1-176.359.60000113.7G68 G69 L97 C133 D408 V446 C448G68-T102 VanDerWaalsContact CA-OG1 3.3Å; G68-T102 WeakPolarHBondContact CA-OG1 3.37Å; G69-T102 PolarHBondContact O-N 3.01Å; L97-T102 HydrophobicContact CD2-CG2 4.3Å; T102-C133 WeakPolarHBondContact O-CB 3.07Å; T102-D408 HydrophobicContact CG2-CB 4.42Å; T102-V446 HydrophobicContact CG2-CG1 3.8Å; T102-C448 HydrophobicContact CG2-CB 4.4Å
103M98.9Very high96.8Very high0 Ų014.3 Ų14.30%09%0.09CC..EExtended strand (participates in β ladder)trans-143.4139.8169.8-177.1-178.7178.700110.8G69 I70 D71 T101 V105 D134 L394 K398 I469G69-M103 PolarHBondContact O-N 2.88Å; I70-M103 WeakPolarHBondContact CA-O 3.3Å; I70-M103 HydrophobicContact CG1-CB 4.24Å; I70-M103 HydrophobicContact CG2-CB 4.24Å; I70-M103 HydrophobicContact CG2-CG 4.29Å; I70-M103 HydrophobicContact CG2-SD 4.22Å; D71-M103 PolarHBondContact N-O 2.86Å; T101-M103 VanDerWaalsContact CG2-O 3.26Å; T101-M103 WeakPolarHBondContact CG2-O 3.32Å; M103-V105 HydrophobicContact CE-CG2 4.24Å; M103-D134 VanDerWaalsContact CA-O 3.24Å; M103-D134 WeakPolarHBondContact CA-O 3.37Å; M103-D134 HydrophobicContact CG-CB 4.46Å; M103-D134 WeakPolarHBondContact CG-O 3.16Å; M103-L394 HydrophobicContact CE-CD1 3.6Å; M103-L394 HydrophobicContact SD-CD1 3.88Å; M103-K398 HydrophobicContact CB-CD 4.35Å; M103-K398 HydrophobicContact CG-CD 4.39Å; M103-K398 HydrophobicContact SD-CD 3.32Å; M103-K398 WeakPolarHBondContact SD-CD 3.34Å; M103-K398 VanDerWaalsContact SD-CE 3.57Å; M103-I469 HydrophobicContact CE-CB 4.03Å; M103-I469 HydrophobicContact CE-CG1 4.27Å
104I98.9Very high96.6Very high1 Ų116.7 Ų16.71%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-118.9151172.462.398.3000111.1D71 T74 F76 F89 A96 T101 D106 D134 Y135 S136 V358D71-I104 HydrophobicContact CB-CG2 4.32Å; D71-I104 CarbonylContact O-C 3.5Å; D71-I104 VanDerWaalsContact O-CA 3.31Å; D71-I104 WeakPolarHBondContact O-CA 3.44Å; T74-I104 HydrophobicContact CG2-CB 4.25Å; T74-I104 HydrophobicContact CG2-CG2 4.32Å; F76-I104 HydrophobicContact CD2-CD1 3.98Å; F76-I104 HydrophobicContact CE2-CB 4.28Å; F76-I104 HydrophobicContact CE2-CD1 3.89Å; F76-I104 HydrophobicContact CE2-CG1 4.02Å; F76-I104 HydrophobicContact CE2-CG2 4.18Å; F89-I104 HydrophobicContact CD1-CD1 4.37Å; F89-I104 HydrophobicContact CE1-CD1 4.11Å; A96-I104 HydrophobicContact CB-CG2 3.95Å; T101-I104 HydrophobicContact CG2-CG2 4.25Å; I104-D106 HydrophobicContact CD1-CB 4.1Å; I104-D134 PolarHBondContact N-O 3.31Å; I104-Y135 CarbonylContact O-C 3.49Å; I104-Y135 WeakPolarHBondContact O-CA 3.33Å; I104-S136 PolarHBondContact O-N 3.44Å; I104-V358 HydrophobicContact CG2-CG2 4.46Å
105V98.9Very high96.5Very high0 Ų014.7 Ų14.70%010%0.1CC..EExtended strand (participates in β ladder)trans-122.3117.2167.9-167.30000108D71 I72 T74 M103 S136 H138 L392D71-V105 PolarHBondContact O-N 3.46Å; I72-V105 HydrophobicContact CG1-CB 4.47Å; I72-V105 HydrophobicContact CG1-CG2 4.33Å; T74-V105 PolarHBondContact N-O 3.25Å; T74-V105 VanDerWaalsContact OG1-C 3.3Å; T74-V105 PolarHBondContact OG1-O 3.12Å; M103-V105 HydrophobicContact CE-CG2 4.24Å; V105-S136 WeakPolarHBondContact CA-O 3.35Å; V105-H138 VanDerWaalsContact CG1-NE2 3.35Å; V105-H138 WeakPolarHBondContact CG1-NE2 3.43Å; V105-L392 HydrophobicContact CG2-CD1 3.63Å; V105-L392 HydrophobicContact CG2-CD2 4.26Å
106D98.9Very high96.5Very high0 Ų014.7 Ų14.70%010%0.1CC..EExtended strand (participates in β ladder)trans-102.8151.6-173.4-157.7-94.8000110.9T74 H75 F76 F89 I104 W123 S136 L137 H138T74-D106 WeakPolarHBondContact O-CA 3.44Å; T74-D106 WeakPolarHBondContact OG1-CA 3.49Å; T74-D106 PolarHBondContact OG1-OD2 3.33Å; H75-D106 WeakPolarHBondContact CA-OD2 3.35Å; H75-D106 PolarHBondContact N-OD2 2.86Å; F76-D106 PolarHBondContact N-OD2 2.81Å; F89-D106 HydrophobicContact CE1-CB 3.79Å; F89-D106 HydrophobicContact CZ-CB 3.94Å; I104-D106 HydrophobicContact CD1-CB 4.1Å; D106-W123 PolarHBondContact OD1-NE1 3.16Å; D106-S136 PolarHBondContact N-O 3Å; D106-S136 VanDerWaalsContact N-O 3.1Å; D106-L137 HydrophobicContact CB-CD2 3.88Å; D106-L137 WeakPolarHBondContact O-CA 3.37Å; D106-H138 PolarHBondContact O-N 3.31Å
107H98.8Very high96.4Very high0 Ų016.2 Ų16.20%011%0.109CC..EExtended strand (participates in β ladder)trans-91.5118.4178.7-79.1-95.8000111.4H73 T74 H75 I109 W123 H138 D140 Q165H73-H107 AromaticContact CD2-CD2 3.51Å; H73-H107 AromaticContact CD2-NE2 3.43Å; H73-H107 PolarHBondContact CD2-NE2 3.4Å; H73-H107 AromaticContact CE1-NE2 3.82Å; H73-H107 AromaticContact CG-NE2 3.73Å; H73-H107 AromaticContact ND1-NE2 3.98Å; H73-H107 AromaticContact NE2-CD2 3.81Å; H73-H107 AromaticContact NE2-NE2 3.55Å; T74-H107 PolarHBondContact O-N 3.46Å; T74-H107 VanDerWaalsContact O-N 3.1Å; H75-H107 VanDerWaalsContact CE1-CB 3.46Å; H75-H107 WeakPolarHBondContact CE1-CB 3.39Å; H75-H107 AromaticContact CE1-CD2 3.66Å; H75-H107 AromaticContact CE1-CG 3.57Å; H75-H107 AromaticContact NE2-CD2 3.81Å; H107-I109 HydrophobicContact CB-CD1 4.24Å; H107-I109 HydrophobicContact CB-CG1 4Å; H107-I109 PolarHBondContact O-N 2.79Å; H107-W123 PolarHBondContact O-NE1 3.38Å; H107-H138 AromaticContact CE1-CD2 3.78Å; H107-H138 AromaticContact NE2-CD2 3.54Å; H107-D140 IonicContact CE1-OD1 3.28Å; H107-D140 IonicContact CG-OD1 3.4Å; H107-D140 IonicContact ND1-OD1 3.5Å; H107-D140 PolarHBondContact ND1-OD1 3.15Å; H107-D140 IonicContact ND1-OD2 2.77Å; H107-Q165 PolarHBondContact CE1-NE2 3.18Å
108V98.7Very high96.4Very high0 Ų023 Ų230%014%0.14CC..EExtended strand (participates in β ladder)trans-77.7111.8165.9-178.20000108.3P110 A119 W123 L137 H138 V139 D140V108-P110 VanDerWaalsContact O-CD 3.31Å; V108-P110 WeakPolarHBondContact O-CD 3.46Å; V108-A119 VanDerWaalsContact CG1-C 3.46Å; V108-A119 HydrophobicContact CG1-CB 3.68Å; V108-W123 HydrophobicContact CB-CD2 4.3Å; V108-W123 HydrophobicContact CB-CG 4.29Å; V108-W123 HydrophobicContact CG1-CD2 4.04Å; V108-W123 HydrophobicContact CG1-CE3 3.94Å; V108-W123 HydrophobicContact CG1-CG 4.32Å; V108-W123 HydrophobicContact CG1-CZ3 4.41Å; V108-W123 HydrophobicContact CG2-CB 3.73Å; V108-W123 HydrophobicContact CG2-CD2 4.26Å; V108-W123 HydrophobicContact CG2-CG 3.74Å; V108-L137 HydrophobicContact CG2-CB 4Å; V108-L137 HydrophobicContact CG2-CD1 3.85Å; V108-L137 HydrophobicContact CG2-CD2 4.02Å; V108-L137 HydrophobicContact CG2-CG 4.17Å; V108-H138 WeakPolarHBondContact CB-O 3.5Å; V108-H138 WeakPolarHBondContact CG2-O 3.47Å; V108-H138 PolarHBondContact N-O 2.72Å; V108-V139 HydrophobicContact CB-CG2 4.09Å; V108-V139 HydrophobicContact CG2-CG2 4.19Å; V108-D140 WeakPolarHBondContact O-CB 3.41Å; V108-D140 PolarHBondContact O-N 2.76Å
109I96.8Very high96.4Very high23 Ų2323.4 Ų23.412%0.11814%0.143CC..  trans-114.395.2-177.2-51-176.4000110M78 H107 W123 D140M78-I109 HydrophobicContact CG-CD1 4.25Å; M78-I109 HydrophobicContact SD-CD1 3.72Å; H107-I109 HydrophobicContact CB-CD1 4.24Å; H107-I109 HydrophobicContact CB-CG1 4Å; H107-I109 PolarHBondContact O-N 2.79Å; I109-W123 WeakPolarHBondContact O-CH2 3.31Å; I109-D140 HydrophobicContact CG1-CB 4.27Å
110P94.2Very high96.4Very high3 Ų323.3 Ų23.32%0.01914%0.142CC..PPolyproline II helixtrans-72.7143.2175.726-28.4000111.3V108 L116 A119 D140 T142V108-P110 VanDerWaalsContact O-CD 3.31Å; V108-P110 WeakPolarHBondContact O-CD 3.46Å; P110-L116 HydrophobicContact CB-CD2 4.43Å; P110-L116 HydrophobicContact CG-CD2 3.53Å; P110-A119 HydrophobicContact CB-CB 3.77Å; P110-D140 VanDerWaalsContact CD-O 3.3Å; P110-D140 WeakPolarHBondContact CD-O 3.46Å; P110-D140 WeakPolarHBondContact CG-O 3.48Å; P110-T142 HydrophobicContact CG-CG2 4.32Å; P110-T142 VanDerWaalsContact O-CG2 3.31Å; P110-T142 WeakPolarHBondContact O-CG2 3.49Å; P110-T142 PolarHBondContact O-OG1 3.42Å
111E90.4Very high96.4Very high87 Ų8726.9 Ų26.941%0.40716%0.161SC..PPolyproline II helixtrans-59.6141.3165.7-73.4-67.6160.900110G113 S114 Y173E111-G113 PolarHBondContact O-N 2.97Å; E111-S114 WeakPolarHBondContact O-CB 3.5Å; E111-S114 PolarHBondContact O-N 2.97Å; E111-S114 PolarHBondContact O-OG 3.21Å; E111-Y173 VanDerWaalsContact CD-OH 3.3Å; E111-Y173 PolarHBondContact OE1-OH 3.36Å; E111-Y173 PolarHBondContact OE2-OH 3.28Å
112P86.7Confident96.4Very high49 Ų4930.2 Ų30.232%0.31818%0.176SC..THydrogen-bonded Turntrans-53131.6179.9-2736.3000112.4S114 Y173 Y174P112-S114 VanDerWaalsContact C-N 3.33Å; P112-Y173 HydrophobicContact CG-CD2 3.77Å; P112-Y173 HydrophobicContact CG-CE2 3.61Å; P112-Y173 HydrophobicContact CG-CG 4.39Å; P112-Y173 WeakPolarHBondContact CG-O 3.43Å; P112-Y174 HydrophobicContact CG-CD1 4.01Å; P112-Y174 HydrophobicContact CG-CE1 3.89Å
113G86.4Confident96.4Very high63 Ų6330.6 Ų30.665%0.64918%0.177SC*.THydrogen-bonded Turntrans83.2-1.4-175.500000115.6E111 H143E111-G113 PolarHBondContact O-N 2.97Å; G113-H143 PolarHBondContact N-CE1 3.13Å; G113-H143 PolarHBondContact N-ND1 3.17Å
114S92.8Very high96.3Very high50 Ų5033.2 Ų33.235%0.3519%0.187SC..SBendtrans-86.4157.4172.7-50.60000111.7E111 P112E111-S114 WeakPolarHBondContact O-CB 3.5Å; E111-S114 PolarHBondContact O-N 2.97Å; E111-S114 PolarHBondContact O-OG 3.21Å; P112-S114 VanDerWaalsContact C-N 3.33Å
115S97.1Very high96.3Very high21 Ų2137.9 Ų37.915%0.14721%0.209CC..  trans-66.7133.2175.4172.50000111.6L117 E118 A119 E151S115-L117 VanDerWaalsContact C-N 3.29Å; S115-L117 PolarHBondContact O-N 2.88Å; S115-L117 PolarHBondContact OG-N 3.32Å; S115-E118 PolarHBondContact OG-N 3.49Å; S115-A119 PolarHBondContact O-N 3.01Å; S115-E151 VanDerWaalsContact CB-OE1 3.29Å; S115-E151 WeakPolarHBondContact CB-OE1 3.17Å; S115-E151 VanDerWaalsContact OG-CD 3.3Å; S115-E151 PolarHBondContact OG-OE1 2.97Å; S115-E151 PolarHBondContact OG-OE2 2.81Å
116L98.1Very high96.3Very high0 Ų040.4 Ų40.40%022%0.219CC..Hα-helixtrans-65.2-35.5172.7-57.1-170.1000111.4P110 Y120 V139 V141 V148 E151 L152 L155P110-L116 HydrophobicContact CB-CD2 4.43Å; P110-L116 HydrophobicContact CG-CD2 3.53Å; L116-Y120 VanDerWaalsContact O-CB 3.31Å; L116-Y120 WeakPolarHBondContact O-CB 3.48Å; L116-Y120 PolarHBondContact O-N 3.3Å; L116-V139 HydrophobicContact CB-CG1 4.25Å; L116-V139 HydrophobicContact CD1-CG1 4.4Å; L116-V139 HydrophobicContact CD2-CG1 4.4Å; L116-V141 HydrophobicContact CD1-CG2 4.4Å; L116-V148 HydrophobicContact CD1-CG1 3.94Å; L116-E151 HydrophobicContact CB-CB 4.24Å; L116-E151 WeakPolarHBondContact CB-OE2 3.26Å; L116-E151 PolarHBondContact N-OE2 3.08Å; L116-L152 HydrophobicContact CD1-CD1 4.29Å; L116-L155 HydrophobicContact CB-CD1 3.88Å; L116-L155 HydrophobicContact CD1-CD1 4.2Å
117L97.9Very high96.2Very high33 Ų3340.4 Ų40.417%0.17322%0.219CC..Hα-helixtrans-71.9-42.1-178.5-73.5170.8000111.7S115 Y120 D121 E151 N154 L155 K159S115-L117 VanDerWaalsContact C-N 3.29Å; S115-L117 PolarHBondContact O-N 2.88Å; S115-L117 PolarHBondContact OG-N 3.32Å; L117-Y120 PolarHBondContact O-N 3.36Å; L117-D121 WeakPolarHBondContact O-CB 3.26Å; L117-D121 PolarHBondContact O-N 2.84Å; L117-E151 HydrophobicContact CD1-CB 4.21Å; L117-E151 HydrophobicContact CD1-CG 3.98Å; L117-E151 HydrophobicContact CG-CB 4.11Å; L117-E151 HydrophobicContact CG-CG 4.22Å; L117-N154 HydrophobicContact CD1-CB 4.29Å; L117-N154 HydrophobicContact CD2-CB 4.33Å; L117-L155 HydrophobicContact CD2-CD2 3.81Å; L117-L155 HydrophobicContact CD2-CG 3.82Å; L117-K159 HydrophobicContact CD2-CG 4.23Å
118E97.9Very high96.2Very high143 Ų14343.4 Ų43.467%0.66824%0.235SC*.Hα-helixtrans-63.5-43.9176-66.9178.6165.500111.1S115 D121 Q122S115-E118 PolarHBondContact OG-N 3.49Å; E118-D121 PolarHBondContact O-N 3.13Å; E118-Q122 WeakPolarHBondContact O-CB 3.34Å; E118-Q122 PolarHBondContact O-N 2.89Å
119A98.2Very high96.2Very high12 Ų1249.1 Ų49.110%0.09926%0.261CS..Hα-helixtrans-61.9-44174.800000111.6V108 P110 S115 D121 Q122 W123V108-A119 VanDerWaalsContact CG1-C 3.46Å; V108-A119 HydrophobicContact CG1-CB 3.68Å; P110-A119 HydrophobicContact CB-CB 3.77Å; S115-A119 PolarHBondContact O-N 3.01Å; A119-D121 PolarHBondContact O-N 3Å; A119-Q122 PolarHBondContact O-N 3.49Å; A119-W123 HydrophobicContact CB-CZ3 4.49Å; A119-W123 VanDerWaalsContact O-CE3 3.28Å; A119-W123 PolarHBondContact O-N 2.69Å
120Y98.6Very high96.3Very high2 Ų250.8 Ų50.81%0.00827%0.268CS..Hα-helixtrans-58.9-47.8175.8168.6-89.1000111.9L116 L117 Q122 W123 R124 L137 V139 L155 K159 V161 F468L116-Y120 VanDerWaalsContact O-CB 3.31Å; L116-Y120 WeakPolarHBondContact O-CB 3.48Å; L116-Y120 PolarHBondContact O-N 3.3Å; L117-Y120 PolarHBondContact O-N 3.36Å; Y120-Q122 VanDerWaalsContact C-N 3.28Å; Y120-Q122 PolarHBondContact O-N 3.39Å; Y120-W123 PolarHBondContact O-N 2.58Å; Y120-R124 HydrophobicContact CD1-CG 4.12Å; Y120-R124 HydrophobicContact CD2-CG 4.41Å; Y120-R124 HydrophobicContact CE1-CG 3.57Å; Y120-R124 HydrophobicContact CE2-CG 3.92Å; Y120-R124 VanDerWaalsContact CZ-CG 3.46Å; Y120-R124 WeakPolarHBondContact O-CB 3.37Å; Y120-R124 WeakPolarHBondContact O-CG 3.32Å; Y120-R124 PolarHBondContact O-N 3.21Å; Y120-R124 PolarHBondContact OH-NH1 2.88Å; Y120-L137 HydrophobicContact CD2-CD1 3.86Å; Y120-L137 HydrophobicContact CE2-CB 4.36Å; Y120-L137 HydrophobicContact CE2-CD1 3.71Å; Y120-V139 HydrophobicContact CD2-CG2 4.21Å; Y120-L155 HydrophobicContact CD1-CD2 4.25Å; Y120-L155 HydrophobicContact CD2-CD2 3.94Å; Y120-L155 HydrophobicContact CG-CD2 3.73Å; Y120-K159 HydrophobicContact CD1-CB 4.42Å; Y120-K159 HydrophobicContact CD1-CD 4.22Å; Y120-K159 HydrophobicContact CD1-CG 4.28Å; Y120-K159 HydrophobicContact CE1-CB 3.83Å; Y120-K159 HydrophobicContact CE1-CD 3.7Å; Y120-K159 HydrophobicContact CE1-CG 3.94Å; Y120-K159 HydrophobicContact CE2-CB 4.34Å; Y120-K159 PolarHBondContact OH-O 3.1Å; Y120-K159 VanDerWaalsContact OH-O 3.11Å; Y120-V161 HydrophobicContact CD2-CG2 4.05Å; Y120-V161 HydrophobicContact CE2-CG2 3.65Å; Y120-F468 HydrophobicContact CE2-CE2 4.46Å; Y120-F468 HydrophobicContact CE2-CZ 4.34Å; Y120-F468 VanDerWaalsContact OH-CZ 3.29Å; Y120-F468 WeakPolarHBondContact OH-CZ 3.44Å
121D98.5Very high96.4Very high75 Ų7550.6 Ų50.640%0.40127%0.267SS..Hα-helixtrans-65.5-34-179.6-73.4-23.8000111L117 E118 A119 R124 Q125 K159L117-D121 WeakPolarHBondContact O-CB 3.26Å; L117-D121 PolarHBondContact O-N 2.84Å; E118-D121 PolarHBondContact O-N 3.13Å; A119-D121 PolarHBondContact O-N 3Å; D121-R124 PolarHBondContact O-N 3.17Å; D121-Q125 PolarHBondContact O-N 3.21Å; D121-K159 IonicContact OD1-NZ 2.8Å; D121-K159 PolarHBondContact OD1-NZ 2.91Å; D121-K159 IonicContact OD2-NZ 2.69Å; D121-K159 PolarHBondContact OD2-NZ 2.87Å
122Q98.2Very high96.8Very high70 Ų7046.6 Ų46.633%0.32725%0.249SC..Hα-helixtrans-65.1-45.4173.9-176.862.188.900112.7E118 A119 Y120 Q125 W126E118-Q122 WeakPolarHBondContact O-CB 3.34Å; E118-Q122 PolarHBondContact O-N 2.89Å; A119-Q122 PolarHBondContact O-N 3.49Å; Y120-Q122 VanDerWaalsContact C-N 3.28Å; Y120-Q122 PolarHBondContact O-N 3.39Å; Q122-Q125 VanDerWaalsContact NE2-OE1 3.15Å; Q122-Q125 WeakPolarHBondContact O-CB 3.41Å; Q122-Q125 PolarHBondContact O-N 3.26Å; Q122-W126 HydrophobicContact CG-CD2 4.17Å; Q122-W126 HydrophobicContact CG-CE3 4.45Å; Q122-W126 HydrophobicContact CG-CH2 3.69Å; Q122-W126 HydrophobicContact CG-CZ2 3.36Å; Q122-W126 HydrophobicContact CG-CZ3 4.23Å; Q122-W126 PolarHBondContact O-N 3.25Å; Q122-W126 VanDerWaalsContact O-N 3.11Å
123W98.6Very high97.4Very high10 Ų1044.3 Ų44.34%0.03823%0.233CC..Hα-helixtrans-64.1-42.3176-104.1-109.1000111.7P79 F89 D106 H107 V108 I109 A119 Y120 Q125 W126 A127 L137P79-W123 HydrophobicContact CG-CH2 4.4Å; F89-W123 AromaticContact CZ-CD1 3.89Å; D106-W123 PolarHBondContact OD1-NE1 3.16Å; H107-W123 PolarHBondContact O-NE1 3.38Å; V108-W123 HydrophobicContact CB-CD2 4.3Å; V108-W123 HydrophobicContact CB-CG 4.29Å; V108-W123 HydrophobicContact CG1-CD2 4.04Å; V108-W123 HydrophobicContact CG1-CE3 3.94Å; V108-W123 HydrophobicContact CG1-CG 4.32Å; V108-W123 HydrophobicContact CG1-CZ3 4.41Å; V108-W123 HydrophobicContact CG2-CB 3.73Å; V108-W123 HydrophobicContact CG2-CD2 4.26Å; V108-W123 HydrophobicContact CG2-CG 3.74Å; I109-W123 WeakPolarHBondContact O-CH2 3.31Å; A119-W123 HydrophobicContact CB-CZ3 4.49Å; A119-W123 VanDerWaalsContact O-CE3 3.28Å; A119-W123 PolarHBondContact O-N 2.69Å; Y120-W123 PolarHBondContact O-N 2.58Å; W123-Q125 VanDerWaalsContact C-N 3.3Å; W123-Q125 PolarHBondContact O-N 2.9Å; W123-W126 HydrophobicContact CD2-CE3 4.07Å; W123-W126 AromaticContact CD2-CZ3 3.81Å; W123-W126 HydrophobicContact CD2-CZ3 3.81Å; W123-W126 HydrophobicContact CE3-CE3 4.23Å; W123-W126 HydrophobicContact CE3-CH2 4.33Å; W123-W126 AromaticContact CE3-CZ3 3.64Å; W123-W126 HydrophobicContact CE3-CZ3 3.64Å; W123-W126 HydrophobicContact CG-CE3 4.32Å; W123-W126 HydrophobicContact CH2-CZ3 4.13Å; W123-W126 HydrophobicContact CZ2-CZ3 4.23Å; W123-W126 HydrophobicContact CZ3-CH2 4.24Å; W123-W126 AromaticContact CZ3-CZ3 3.83Å; W123-W126 HydrophobicContact CZ3-CZ3 3.83Å; W123-W126 PolarHBondContact O-N 3.31Å; W123-A127 WeakPolarHBondContact O-CB 3.4Å; W123-A127 PolarHBondContact O-N 2.9Å; W123-L137 HydrophobicContact CB-CD1 4.13Å; W123-L137 HydrophobicContact CB-CD2 4.46Å
124R98.4Very high98Very high55 Ų5541.3 Ų41.321%0.20820%0.202CC..Hα-helixtrans-57.2-44.1174.1-77.4-62.6-52-74.2-12.7111.8Y120 D121 A127 D128 Y135 L137 F468Y120-R124 HydrophobicContact CD1-CG 4.12Å; Y120-R124 HydrophobicContact CD2-CG 4.41Å; Y120-R124 HydrophobicContact CE1-CG 3.57Å; Y120-R124 HydrophobicContact CE2-CG 3.92Å; Y120-R124 VanDerWaalsContact CZ-CG 3.46Å; Y120-R124 WeakPolarHBondContact O-CB 3.37Å; Y120-R124 WeakPolarHBondContact O-CG 3.32Å; Y120-R124 PolarHBondContact O-N 3.21Å; Y120-R124 PolarHBondContact OH-NH1 2.88Å; D121-R124 PolarHBondContact O-N 3.17Å; R124-A127 PolarHBondContact O-N 2.82Å; R124-D128 IonicContact CZ-OD2 3.7Å; R124-D128 IonicContact NE-OD1 3.11Å; R124-D128 IonicContact NE-OD2 2.75Å; R124-D128 PolarHBondContact NE-OD2 3.3Å; R124-D128 IonicContact NH2-OD1 3.6Å; R124-D128 IonicContact NH2-OD2 3.81Å; R124-D128 PolarHBondContact NH2-OD2 3.26Å; R124-D128 WeakPolarHBondContact O-CB 3.3Å; R124-D128 VanDerWaalsContact O-CG 3.25Å; R124-D128 PolarHBondContact O-N 3.11Å; R124-Y135 WeakPolarHBondContact CD-OH 3.41Å; R124-Y135 PolarHBondContact NE-OH 3.21Å; R124-L137 HydrophobicContact CG-CD1 3.77Å; R124-F468 VanDerWaalsContact CZ-CG 3.47Å; R124-F468 VanDerWaalsContact NH1-CD1 3.29Å
125Q98.1Very high98.3Very high100 Ų10038.9 Ų38.947%0.46719%0.186SC..Hα-helixtrans-59.3-49.3175.8-174-1732.300111.7D121 Q122 W123 A127 E129D121-Q125 PolarHBondContact O-N 3.21Å; Q122-Q125 VanDerWaalsContact NE2-OE1 3.15Å; Q122-Q125 WeakPolarHBondContact O-CB 3.41Å; Q122-Q125 PolarHBondContact O-N 3.26Å; W123-Q125 VanDerWaalsContact C-N 3.3Å; W123-Q125 PolarHBondContact O-N 2.9Å; Q125-A127 PolarHBondContact O-N 2.76Å; Q125-E129 WeakPolarHBondContact O-CG 3.15Å; Q125-E129 PolarHBondContact O-N 2.99Å
126W98.4Very high98.3Very high53 Ų5338 Ų3820%0.20118%0.179CC..Hα-helixtrans-62.3-42.7-180-63.7-24.8000112.7Q77 P79 F89 Q122 W123 K130Q77-W126 VanDerWaalsContact NE2-CE2 3.34Å; P79-W126 HydrophobicContact CG-CH2 4.02Å; P79-W126 HydrophobicContact CG-CZ3 4.4Å; F89-W126 HydrophobicContact CD2-CB 3.98Å; F89-W126 HydrophobicContact CE2-CB 4.12Å; Q122-W126 HydrophobicContact CG-CD2 4.17Å; Q122-W126 HydrophobicContact CG-CE3 4.45Å; Q122-W126 HydrophobicContact CG-CH2 3.69Å; Q122-W126 HydrophobicContact CG-CZ2 3.36Å; Q122-W126 HydrophobicContact CG-CZ3 4.23Å; Q122-W126 PolarHBondContact O-N 3.25Å; Q122-W126 VanDerWaalsContact O-N 3.11Å; W123-W126 HydrophobicContact CD2-CE3 4.07Å; W123-W126 AromaticContact CD2-CZ3 3.81Å; W123-W126 HydrophobicContact CD2-CZ3 3.81Å; W123-W126 HydrophobicContact CE3-CE3 4.23Å; W123-W126 HydrophobicContact CE3-CH2 4.33Å; W123-W126 AromaticContact CE3-CZ3 3.64Å; W123-W126 HydrophobicContact CE3-CZ3 3.64Å; W123-W126 HydrophobicContact CG-CE3 4.32Å; W123-W126 HydrophobicContact CH2-CZ3 4.13Å; W123-W126 HydrophobicContact CZ2-CZ3 4.23Å; W123-W126 HydrophobicContact CZ3-CH2 4.24Å; W123-W126 AromaticContact CZ3-CZ3 3.83Å; W123-W126 HydrophobicContact CZ3-CZ3 3.83Å; W123-W126 PolarHBondContact O-N 3.31Å; W126-K130 WeakPolarHBondContact O-CB 3.37Å; W126-K130 WeakPolarHBondContact O-CG 3.43Å
127A98.4Very high98.4Very high0 Ų038 Ų380%018%0.179CC..Hα-helixtrans-75.9-43.6-176.500000112.6F89 W123 R124 Q125 E129 K130 A131 Y135F89-A127 HydrophobicContact CD1-CB 3.66Å; F89-A127 HydrophobicContact CD2-CB 4Å; F89-A127 HydrophobicContact CE1-CB 3.68Å; F89-A127 HydrophobicContact CE2-CB 4.02Å; F89-A127 HydrophobicContact CG-CB 3.83Å; F89-A127 HydrophobicContact CZ-CB 3.88Å; W123-A127 WeakPolarHBondContact O-CB 3.4Å; W123-A127 PolarHBondContact O-N 2.9Å; R124-A127 PolarHBondContact O-N 2.82Å; Q125-A127 PolarHBondContact O-N 2.76Å; A127-E129 PolarHBondContact O-N 3.47Å; A127-K130 PolarHBondContact O-N 3.42Å; A127-K130 VanDerWaalsContact O-N 3.08Å; A127-A131 WeakPolarHBondContact O-CB 3.39Å; A127-A131 PolarHBondContact O-N 2.55Å; A127-Y135 HydrophobicContact CB-CD1 4.4Å; A127-Y135 HydrophobicContact CB-CD2 3.92Å; A127-Y135 HydrophobicContact CB-CE1 3.87Å; A127-Y135 HydrophobicContact CB-CE2 3.32Å; A127-Y135 HydrophobicContact CB-CG 4.42Å
128D98.3Very high98.4Very high62 Ų6236.5 Ų36.533%0.33217%0.171SC..Hα-helixtrans-60.5-32.3179.9-76.7-23000112.1R124 Y135 G464R124-D128 IonicContact CZ-OD2 3.7Å; R124-D128 IonicContact NE-OD1 3.11Å; R124-D128 IonicContact NE-OD2 2.75Å; R124-D128 PolarHBondContact NE-OD2 3.3Å; R124-D128 IonicContact NH2-OD1 3.6Å; R124-D128 IonicContact NH2-OD2 3.81Å; R124-D128 PolarHBondContact NH2-OD2 3.26Å; R124-D128 WeakPolarHBondContact O-CB 3.3Å; R124-D128 VanDerWaalsContact O-CG 3.25Å; R124-D128 PolarHBondContact O-N 3.11Å; D128-Y135 PolarHBondContact N-OH 3.14Å; D128-Y135 WeakPolarHBondContact OD1-CE1 3.21Å; D128-Y135 PolarHBondContact OD1-OH 2.92Å; D128-G464 WeakPolarHBondContact O-CA 3.38Å
129E97.6Very high98.5Very high120 Ų12029.7 Ų29.756%0.56114%0.14SC*.Hα-helixtrans-78.3-23.4177.9-69.8178.1-171.500113.6Q125 A127 G464Q125-E129 WeakPolarHBondContact O-CG 3.15Å; Q125-E129 PolarHBondContact O-N 2.99Å; A127-E129 PolarHBondContact O-N 3.47Å; E129-G464 WeakPolarHBondContact O-CA 3.34Å
130K98.4Very high98.5Very high58 Ų5829.1 Ų29.125%0.25214%0.135SC..Hα-helixtrans-124.5-32.2-162.5-67.9-176.2176-1660115.3D88 F89 A90 W126 A127 C132 G464D88-K130 WeakPolarHBondContact OD2-CD 3.41Å; D88-K130 IonicContact OD2-NZ 3.29Å; D88-K130 PolarHBondContact OD2-NZ 3.27Å; F89-K130 HydrophobicContact CB-CB 3.73Å; A90-K130 WeakPolarHBondContact CA-O 3.48Å; A90-K130 HydrophobicContact CB-CB 4.04Å; W126-K130 WeakPolarHBondContact O-CB 3.37Å; W126-K130 WeakPolarHBondContact O-CG 3.43Å; A127-K130 PolarHBondContact O-N 3.42Å; A127-K130 VanDerWaalsContact O-N 3.08Å; K130-C132 PolarHBondContact O-N 3.42Å; K130-G464 PolarHBondContact O-N 2.91Å
131A98.2Very high98.5Very high0 Ų029 Ų290%013%0.134CC..  trans-59.2133.2-172.800000111.8A127 Y135 G464 V465 G466A127-A131 WeakPolarHBondContact O-CB 3.39Å; A127-A131 PolarHBondContact O-N 2.55Å; A131-Y135 HydrophobicContact CB-CD1 3.9Å; A131-Y135 HydrophobicContact CB-CE1 4.33Å; A131-G464 WeakPolarHBondContact O-CA 3.43Å; A131-G464 PolarHBondContact O-N 2.99Å; A131-V465 PolarHBondContact O-N 3.32Å; A131-G466 WeakPolarHBondContact O-CA 3.3Å; A131-G466 PolarHBondContact O-N 3.41Å
132C98.3Very high98.3Very high3 Ų325.7 Ų25.72%0.0212%0.117CC..SBendtrans-93.2-14.9178.9-60.30000112.7S93 L97 K130 V461 V465S93-C132 VanDerWaalsContact OG-CB 3.3Å; S93-C132 WeakPolarHBondContact OG-CB 3.43Å; S93-C132 PolarHBondContact OG-N 2.85Å; L97-C132 HydrophobicContact CD1-CB 3.77Å; K130-C132 PolarHBondContact O-N 3.42Å; C132-V461 HydrophobicContact CB-CB 4.17Å; C132-V461 HydrophobicContact CB-CG1 4.17Å; C132-V465 WeakPolarHBondContact O-CG2 3.21Å
133C98.5Very high98.1Very high0 Ų024.4 Ų24.40%011%0.111CC..SBendtrans-132.2167.6177.970.60000110.4L97 T102 G466L97-C133 HydrophobicContact CD1-CB 4.21Å; L97-C133 HydrophobicContact CD2-CB 3.79Å; L97-C133 HydrophobicContact CG-CB 4.02Å; T102-C133 WeakPolarHBondContact O-CB 3.07Å; C133-G466 VanDerWaalsContact C-CA 3.45Å; C133-G466 WeakPolarHBondContact O-CA 3.4Å
134D98.9Very high98Very high0 Ų025.1 Ų25.10%011%0.114CC..EExtended strand (participates in β ladder)trans-57.4148.4175-78.1-7.4000110.9M103 I104 K398 Q449 R467 I469M103-D134 VanDerWaalsContact CA-O 3.24Å; M103-D134 WeakPolarHBondContact CA-O 3.37Å; M103-D134 HydrophobicContact CG-CB 4.46Å; M103-D134 WeakPolarHBondContact CG-O 3.16Å; I104-D134 PolarHBondContact N-O 3.31Å; D134-K398 IonicContact OD2-NZ 3.23Å; D134-K398 PolarHBondContact OD2-NZ 2.84Å; D134-Q449 PolarHBondContact OD1-NE2 2.67Å; D134-R467 WeakPolarHBondContact CA-O 3.26Å; D134-R467 WeakPolarHBondContact OD1-CB 3.39Å; D134-R467 IonicContact OD1-CZ 2.68Å; D134-R467 PolarHBondContact OD1-N 3.32Å; D134-R467 IonicContact OD1-NE 3.38Å; D134-R467 PolarHBondContact OD1-NE 2.71Å; D134-R467 IonicContact OD1-NH2 3.78Å; D134-R467 IonicContact OD2-CZ 2.93Å; D134-R467 IonicContact OD2-NE 2.77Å; D134-R467 IonicContact OD2-NH2 3.66Å; D134-R467 PolarHBondContact OD2-NH2 2.96Å; D134-I469 HydrophobicContact CB-CD1 4.13Å; D134-I469 HydrophobicContact CB-CG1 3.82Å
135Y98.9Very high97.8Very high0 Ų025.7 Ų25.70%012%0.121CC..EExtended strand (participates in β ladder)trans-145.3162-179.878.2-80.7000112.6I104 R124 A127 D128 A131 L137 R467 F468 I469I104-Y135 CarbonylContact O-C 3.49Å; I104-Y135 WeakPolarHBondContact O-CA 3.33Å; R124-Y135 WeakPolarHBondContact CD-OH 3.41Å; R124-Y135 PolarHBondContact NE-OH 3.21Å; A127-Y135 HydrophobicContact CB-CD1 4.4Å; A127-Y135 HydrophobicContact CB-CD2 3.92Å; A127-Y135 HydrophobicContact CB-CE1 3.87Å; A127-Y135 HydrophobicContact CB-CE2 3.32Å; A127-Y135 HydrophobicContact CB-CG 4.42Å; D128-Y135 PolarHBondContact N-OH 3.14Å; D128-Y135 WeakPolarHBondContact OD1-CE1 3.21Å; D128-Y135 PolarHBondContact OD1-OH 2.92Å; A131-Y135 HydrophobicContact CB-CD1 3.9Å; A131-Y135 HydrophobicContact CB-CE1 4.33Å; Y135-L137 HydrophobicContact CD2-CD2 4.36Å; Y135-L137 HydrophobicContact CD2-CG 4.43Å; Y135-L137 HydrophobicContact CE2-CD1 4.44Å; Y135-L137 HydrophobicContact CE2-CD2 4.35Å; Y135-L137 HydrophobicContact CE2-CG 4.21Å; Y135-R467 PolarHBondContact N-O 3.35Å; Y135-F468 HydrophobicContact CD2-CD2 4.31Å; Y135-F468 HydrophobicContact CE1-CB 4.02Å; Y135-F468 HydrophobicContact CE2-CB 4.37Å; Y135-F468 AromaticContact CE2-CD2 3.8Å; Y135-F468 HydrophobicContact CE2-CD2 3.8Å; Y135-F468 CarbonylContact O-C 3.54Å; Y135-F468 WeakPolarHBondContact O-CA 3.43Å; Y135-I469 PolarHBondContact O-N 2.84Å
136S98.9Very high97.7Very high1 Ų126 Ų261%0.00713%0.126CC..EExtended strand (participates in β ladder)trans-138.8-177.4165.7-156.80000109.8I104 V105 D106 I469 C471I104-S136 PolarHBondContact O-N 3.44Å; V105-S136 WeakPolarHBondContact CA-O 3.35Å; D106-S136 PolarHBondContact N-O 3Å; D106-S136 VanDerWaalsContact N-O 3.1Å; S136-I469 WeakPolarHBondContact CB-O 3.41Å; S136-I469 PolarHBondContact OG-O 2.96Å; S136-C471 PolarHBondContact OG-SG 3.16Å
137L98.9Very high97.6Very high1 Ų126.7 Ų26.71%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-133134-175.3-65.1174.3000111.7D106 V108 Y120 W123 R124 Y135 F468D106-L137 HydrophobicContact CB-CD2 3.88Å; D106-L137 WeakPolarHBondContact O-CA 3.37Å; V108-L137 HydrophobicContact CG2-CB 4Å; V108-L137 HydrophobicContact CG2-CD1 3.85Å; V108-L137 HydrophobicContact CG2-CD2 4.02Å; V108-L137 HydrophobicContact CG2-CG 4.17Å; Y120-L137 HydrophobicContact CD2-CD1 3.86Å; Y120-L137 HydrophobicContact CE2-CB 4.36Å; Y120-L137 HydrophobicContact CE2-CD1 3.71Å; W123-L137 HydrophobicContact CB-CD1 4.13Å; W123-L137 HydrophobicContact CB-CD2 4.46Å; R124-L137 HydrophobicContact CG-CD1 3.77Å; Y135-L137 HydrophobicContact CD2-CD2 4.36Å; Y135-L137 HydrophobicContact CD2-CG 4.43Å; Y135-L137 HydrophobicContact CE2-CD1 4.44Å; Y135-L137 HydrophobicContact CE2-CD2 4.35Å; Y135-L137 HydrophobicContact CE2-CG 4.21Å; L137-F468 HydrophobicContact CB-CE2 4.42Å; L137-F468 HydrophobicContact CD1-CE2 4.39Å; L137-F468 HydrophobicContact CG-CE2 4.24Å
138H98.9Very high97.5Very high1 Ų126.7 Ų26.71%0.00514%0.139CC..EExtended strand (participates in β ladder)trans-86152.7155.7-61.9-44.6000108.8I72 V105 D106 H107 V108 S163 Q196I72-H138 PolarHBondContact O-CD2 3.46Å; I72-H138 PolarHBondContact O-NE2 3.4Å; V105-H138 VanDerWaalsContact CG1-NE2 3.35Å; V105-H138 WeakPolarHBondContact CG1-NE2 3.43Å; D106-H138 PolarHBondContact O-N 3.31Å; H107-H138 AromaticContact CE1-CD2 3.78Å; H107-H138 AromaticContact NE2-CD2 3.54Å; V108-H138 WeakPolarHBondContact CB-O 3.5Å; V108-H138 WeakPolarHBondContact CG2-O 3.47Å; V108-H138 PolarHBondContact N-O 2.72Å; H138-S163 PolarHBondContact CE1-OG 2.87Å; H138-S163 VanDerWaalsContact ND1-CB 3.29Å; H138-S163 WeakPolarHBondContact ND1-CB 3.44Å; H138-S163 PolarHBondContact ND1-OG 3.22Å; H138-Q196 PolarHBondContact CD2-NE2 2.91Å; H138-Q196 PolarHBondContact CE1-NE2 2.89Å; H138-Q196 PolarHBondContact NE2-NE2 2.79Å
139V98.8Very high97.4Very high0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans-121.5124.4172.4178.70000110V108 L116 Y120 L155 V161 S163 F164 Q165V108-V139 HydrophobicContact CB-CG2 4.09Å; V108-V139 HydrophobicContact CG2-CG2 4.19Å; L116-V139 HydrophobicContact CB-CG1 4.25Å; L116-V139 HydrophobicContact CD1-CG1 4.4Å; L116-V139 HydrophobicContact CD2-CG1 4.4Å; Y120-V139 HydrophobicContact CD2-CG2 4.21Å; V139-L155 HydrophobicContact CB-CD1 4.23Å; V139-L155 HydrophobicContact CG1-CD1 3.89Å; V139-L155 HydrophobicContact CG2-CD1 4.12Å; V139-L155 HydrophobicContact CG2-CD2 4.25Å; V139-V161 HydrophobicContact CG2-CG1 4.05Å; V139-V161 HydrophobicContact CG2-CG2 4.35Å; V139-S163 PolarHBondContact N-O 2.81Å; V139-F164 HydrophobicContact CB-CD1 3.93Å; V139-F164 HydrophobicContact CB-CE1 4.12Å; V139-F164 WeakPolarHBondContact O-CA 3.49Å; V139-Q165 PolarHBondContact O-N 3.34Å; V139-Q165 VanDerWaalsContact O-N 3.14Å
140D98.6Very high97.4Very high0 Ų026.6 Ų26.60%014%0.135CC..EExtended strand (participates in β ladder)trans-85.7128.2-179.2-7339000109.8H107 V108 I109 P110 Q165 Y167H107-D140 IonicContact CE1-OD1 3.28Å; H107-D140 IonicContact CG-OD1 3.4Å; H107-D140 IonicContact ND1-OD1 3.5Å; H107-D140 PolarHBondContact ND1-OD1 3.15Å; H107-D140 IonicContact ND1-OD2 2.77Å; V108-D140 WeakPolarHBondContact O-CB 3.41Å; V108-D140 PolarHBondContact O-N 2.76Å; I109-D140 HydrophobicContact CG1-CB 4.27Å; P110-D140 VanDerWaalsContact CD-O 3.3Å; P110-D140 WeakPolarHBondContact CD-O 3.46Å; P110-D140 WeakPolarHBondContact CG-O 3.48Å; D140-Q165 CarbonylContact C-O 3.18Å; D140-Q165 WeakPolarHBondContact CA-O 3.4Å; D140-Q165 PolarHBondContact OD2-NE2 2.96Å; D140-Y167 HydrophobicContact CB-CE2 4.07Å; D140-Y167 VanDerWaalsContact OD2-CE2 3.28Å; D140-Y167 WeakPolarHBondContact OD2-CE2 3.2Å; D140-Y167 PolarHBondContact OD2-OH 3.46Å
141V98.1Very high97.4Very high0 Ų025.2 Ų25.20%013%0.13CC..  trans-98.1106.8178.4-171.90000107.4L116 H143 W144 V148 L152 F164 Q165 V166 M176L116-V141 HydrophobicContact CD1-CG2 4.4Å; V141-H143 VanDerWaalsContact CG1-O 3.24Å; V141-H143 WeakPolarHBondContact CG1-O 3.36Å; V141-W144 HydrophobicContact CG1-CE3 4.29Å; V141-V148 HydrophobicContact CG1-CG1 3.65Å; V141-L152 HydrophobicContact CG2-CD1 4Å; V141-F164 HydrophobicContact CG2-CB 4.26Å; V141-Q165 PolarHBondContact N-O 3.08Å; V141-V166 HydrophobicContact CB-CG1 4.04Å; V141-M176 HydrophobicContact CB-CE 3.99Å; V141-M176 HydrophobicContact CG1-CE 3.63Å; V141-M176 WeakPolarHBondContact O-CE 3.35Å
142T95.1Very high97.4Very high6 Ų625.2 Ų25.24%0.03713%0.13CC..  trans-96.3-11.5-171.354.90000114.2P110 Y174P110-T142 HydrophobicContact CG-CG2 4.32Å; P110-T142 VanDerWaalsContact O-CG2 3.31Å; P110-T142 WeakPolarHBondContact O-CG2 3.49Å; P110-T142 PolarHBondContact O-OG1 3.42Å; T142-Y174 HydrophobicContact CG2-CD1 3.46Å; T142-Y174 VanDerWaalsContact CG2-CD1 3.46Å; T142-Y174 HydrophobicContact CG2-CE1 3.53Å; T142-Y174 HydrophobicContact CG2-CG 4.32Å
143H94.7Very high97.3Very high42 Ų4226.4 Ų26.419%0.19414%0.136CC..SBendtrans-155166.9175.662.5-68.1000109.2G113 V141 D145 V148G113-H143 PolarHBondContact N-CE1 3.13Å; G113-H143 PolarHBondContact N-ND1 3.17Å; V141-H143 VanDerWaalsContact CG1-O 3.24Å; V141-H143 WeakPolarHBondContact CG1-O 3.36Å; H143-D145 IonicContact CD2-OD2 3.84Å; H143-D145 IonicContact NE2-OD2 3.45Å; H143-V148 WeakPolarHBondContact NE2-CG2 3.28Å
144W95.7Very high97.3Very high26 Ų2629.1 Ų29.110%0.09815%0.151CC..  trans-134.1115-176.9-173.3-114000113.2V141 V148 K149 L152 E180 E183 V184 F187V141-W144 HydrophobicContact CG1-CE3 4.29Å; W144-V148 HydrophobicContact CE3-CB 4.45Å; W144-V148 HydrophobicContact CE3-CG1 3.77Å; W144-V148 HydrophobicContact CZ3-CG1 4.02Å; W144-K149 HydrophobicContact CD2-CG 4.5Å; W144-K149 HydrophobicContact CE3-CG 4.39Å; W144-K149 HydrophobicContact CH2-CB 4.43Å; W144-K149 HydrophobicContact CH2-CD 4.26Å; W144-K149 HydrophobicContact CH2-CG 3.32Å; W144-K149 HydrophobicContact CZ2-CD 3.84Å; W144-K149 HydrophobicContact CZ2-CG 3.41Å; W144-K149 VanDerWaalsContact CZ2-CG 3.41Å; W144-K149 HydrophobicContact CZ3-CG 3.82Å; W144-K149 VanDerWaalsContact NE1-CE 3.33Å; W144-L152 HydrophobicContact CH2-CD2 4.33Å; W144-L152 HydrophobicContact CZ3-CD2 3.97Å; W144-E180 HydrophobicContact CB-CB 4.21Å; W144-E180 HydrophobicContact CB-CG 4.07Å; W144-E180 HydrophobicContact CG-CB 4.47Å; W144-E180 HydrophobicContact CG-CG 4.47Å; W144-E183 HydrophobicContact CZ2-CB 4.12Å; W144-E183 VanDerWaalsContact NE1-CB 3.31Å; W144-E183 PolarHBondContact NE1-OE2 2.92Å; W144-V184 HydrophobicContact CD2-CG2 3.48Å; W144-V184 VanDerWaalsContact CD2-CG2 3.48Å; W144-V184 HydrophobicContact CE3-CG2 3.42Å; W144-V184 VanDerWaalsContact CE3-CG2 3.42Å; W144-V184 HydrophobicContact CG-CG2 4.04Å; W144-V184 HydrophobicContact CH2-CB 4.39Å; W144-V184 HydrophobicContact CH2-CG2 3.92Å; W144-V184 HydrophobicContact CZ2-CG2 4Å; W144-V184 HydrophobicContact CZ3-CB 4.46Å; W144-V184 HydrophobicContact CZ3-CG2 3.67Å; W144-F187 HydrophobicContact CH2-CB 3.99Å; W144-F187 HydrophobicContact CH2-CD1 4.3Å; W144-F187 HydrophobicContact CH2-CD2 4.34Å; W144-F187 AromaticContact CH2-CG 3.97Å; W144-F187 HydrophobicContact CH2-CG 3.97Å; W144-F187 HydrophobicContact CZ2-CB 4.28Å
145D95.1Very high97.3Very high66 Ų6629.1 Ų29.135%0.35315%0.151SC..SBendtrans-150.2-177.1172.76438.9000111.2H143 S147 V148 K149H143-D145 IonicContact CD2-OD2 3.84Å; H143-D145 IonicContact NE2-OD2 3.45Å; D145-S147 VanDerWaalsContact C-N 3.29Å; D145-S147 PolarHBondContact O-N 2.9Å; D145-S147 WeakPolarHBondContact OD1-CA 3.43Å; D145-S147 VanDerWaalsContact OD1-CB 3.22Å; D145-S147 WeakPolarHBondContact OD1-CB 3.49Å; D145-S147 PolarHBondContact OD1-N 2.95Å; D145-V148 PolarHBondContact O-N 3.29Å; D145-V148 PolarHBondContact OD1-N 3.48Å; D145-K149 WeakPolarHBondContact O-CG 3.32Å; D145-K149 PolarHBondContact O-N 3.17Å; D145-K149 VanDerWaalsContact O-N 3.08Å
146D95.4Very high97.3Very high107 Ų10729.4 Ų29.457%0.57215%0.152SC*.Hα-helixtrans-71.2-21.3-178.3-70.7-19.6000114K149 Q150D146-K149 IonicContact OD1-NZ 3.33Å; D146-K149 PolarHBondContact OD1-NZ 2.84Å; D146-Q150 WeakPolarHBondContact O-CG 3.38Å; D146-Q150 PolarHBondContact O-N 3.4Å; D146-Q150 PolarHBondContact O-NE2 3.35Å
147S95.9Very high97.1Very high67 Ų6736 Ų3647%0.46918%0.18SC..Hα-helixtrans-72.2-50.3173.1-171.50000109.7D145 K149 Q150 E151D145-S147 VanDerWaalsContact C-N 3.29Å; D145-S147 PolarHBondContact O-N 2.9Å; D145-S147 WeakPolarHBondContact OD1-CA 3.43Å; D145-S147 VanDerWaalsContact OD1-CB 3.22Å; D145-S147 WeakPolarHBondContact OD1-CB 3.49Å; D145-S147 PolarHBondContact OD1-N 2.95Å; S147-K149 VanDerWaalsContact C-N 3.27Å; S147-K149 PolarHBondContact O-N 2.56Å; S147-Q150 WeakPolarHBondContact O-CB 3.46Å; S147-Q150 PolarHBondContact O-N 2.8Å; S147-E151 PolarHBondContact O-N 3Å
148V96.4Very high97Very high1 Ų143 Ų431%0.00621%0.213CC..Hα-helixtrans-55.7-42.4175.8171.30000111.2L116 V141 H143 W144 D145 Q150 E151 L152L116-V148 HydrophobicContact CD1-CG1 3.94Å; V141-V148 HydrophobicContact CG1-CG1 3.65Å; H143-V148 WeakPolarHBondContact NE2-CG2 3.28Å; W144-V148 HydrophobicContact CE3-CB 4.45Å; W144-V148 HydrophobicContact CE3-CG1 3.77Å; W144-V148 HydrophobicContact CZ3-CG1 4.02Å; D145-V148 PolarHBondContact O-N 3.29Å; D145-V148 PolarHBondContact OD1-N 3.48Å; V148-Q150 VanDerWaalsContact C-N 3.3Å; V148-Q150 PolarHBondContact O-N 3.38Å; V148-E151 PolarHBondContact O-N 2.83Å; V148-L152 WeakPolarHBondContact O-CB 3.19Å; V148-L152 PolarHBondContact O-N 2.9Å
149K96.4Very high97Very high51 Ų5145.7 Ų45.722%0.22223%0.225CC..Hα-helixtrans-55.2-43.4174.5-76.1172-161.8162.70112.4W144 D145 D146 S147 D153 E183 F187W144-K149 HydrophobicContact CD2-CG 4.5Å; W144-K149 HydrophobicContact CE3-CG 4.39Å; W144-K149 HydrophobicContact CH2-CB 4.43Å; W144-K149 HydrophobicContact CH2-CD 4.26Å; W144-K149 HydrophobicContact CH2-CG 3.32Å; W144-K149 HydrophobicContact CZ2-CD 3.84Å; W144-K149 HydrophobicContact CZ2-CG 3.41Å; W144-K149 VanDerWaalsContact CZ2-CG 3.41Å; W144-K149 HydrophobicContact CZ3-CG 3.82Å; W144-K149 VanDerWaalsContact NE1-CE 3.33Å; D145-K149 WeakPolarHBondContact O-CG 3.32Å; D145-K149 PolarHBondContact O-N 3.17Å; D145-K149 VanDerWaalsContact O-N 3.08Å; D146-K149 IonicContact OD1-NZ 3.33Å; D146-K149 PolarHBondContact OD1-NZ 2.84Å; S147-K149 VanDerWaalsContact C-N 3.27Å; S147-K149 PolarHBondContact O-N 2.56Å; K149-D153 PolarHBondContact O-N 3.48Å; K149-D153 VanDerWaalsContact O-N 3.16Å; K149-E183 IonicContact NZ-OE2 2.88Å; K149-F187 HydrophobicContact CB-CE2 3.98Å; K149-F187 HydrophobicContact CB-CZ 4.43Å; K149-F187 HydrophobicContact CG-CD2 4.28Å; K149-F187 HydrophobicContact CG-CE2 4.23Å; K149-F187 WeakPolarHBondContact O-CZ 3.42Å
150Q97.6Very high96.9Very high129 Ų12946.2 Ų46.260%0.60323%0.231SC*.Hα-helixtrans-70.5-44.1-179.1-68.7171.336.300111.6D146 S147 V148 L152 D153 N154D146-Q150 WeakPolarHBondContact O-CG 3.38Å; D146-Q150 PolarHBondContact O-N 3.4Å; D146-Q150 PolarHBondContact O-NE2 3.35Å; S147-Q150 WeakPolarHBondContact O-CB 3.46Å; S147-Q150 PolarHBondContact O-N 2.8Å; V148-Q150 VanDerWaalsContact C-N 3.3Å; V148-Q150 PolarHBondContact O-N 3.38Å; Q150-L152 VanDerWaalsContact C-N 3.32Å; Q150-L152 PolarHBondContact O-N 2.86Å; Q150-D153 WeakPolarHBondContact O-CB 3.3Å; Q150-D153 PolarHBondContact O-N 3.24Å; Q150-N154 PolarHBondContact O-N 2.78Å; Q150-N154 VanDerWaalsContact O-N 3.08Å
151E98.1Very high96.8Very high29 Ų2946.2 Ų46.214%0.13623%0.231CC..Hα-helixtrans-62.5-40.5177.2-66-171.7152.500112S115 L116 L117 S147 V148 D153 N154 L155S115-E151 VanDerWaalsContact CB-OE1 3.29Å; S115-E151 WeakPolarHBondContact CB-OE1 3.17Å; S115-E151 VanDerWaalsContact OG-CD 3.3Å; S115-E151 PolarHBondContact OG-OE1 2.97Å; S115-E151 PolarHBondContact OG-OE2 2.81Å; L116-E151 HydrophobicContact CB-CB 4.24Å; L116-E151 WeakPolarHBondContact CB-OE2 3.26Å; L116-E151 PolarHBondContact N-OE2 3.08Å; L117-E151 HydrophobicContact CD1-CB 4.21Å; L117-E151 HydrophobicContact CD1-CG 3.98Å; L117-E151 HydrophobicContact CG-CB 4.11Å; L117-E151 HydrophobicContact CG-CG 4.22Å; S147-E151 PolarHBondContact O-N 3Å; V148-E151 PolarHBondContact O-N 2.83Å; E151-D153 VanDerWaalsContact C-N 3.32Å; E151-D153 PolarHBondContact O-N 2.9Å; E151-N154 WeakPolarHBondContact O-CB 3.48Å; E151-N154 PolarHBondContact O-N 3.39Å; E151-N154 VanDerWaalsContact O-N 3.17Å; E151-L155 WeakPolarHBondContact O-CG 3.32Å; E151-L155 PolarHBondContact O-N 2.86Å
152L97.8Very high96.8Very high0 Ų046.2 Ų46.20%023%0.231CC..Hα-helixtrans-61.5-40.4175.7-164.166.6000111.7L116 V141 W144 V148 Q150 N154 L155 I156 F164 F187 L188L116-L152 HydrophobicContact CD1-CD1 4.29Å; V141-L152 HydrophobicContact CG2-CD1 4Å; W144-L152 HydrophobicContact CH2-CD2 4.33Å; W144-L152 HydrophobicContact CZ3-CD2 3.97Å; V148-L152 WeakPolarHBondContact O-CB 3.19Å; V148-L152 PolarHBondContact O-N 2.9Å; Q150-L152 VanDerWaalsContact C-N 3.32Å; Q150-L152 PolarHBondContact O-N 2.86Å; L152-N154 VanDerWaalsContact C-N 3.35Å; L152-L155 PolarHBondContact O-N 3.5Å; L152-I156 VanDerWaalsContact O-CG1 3.27Å; L152-I156 WeakPolarHBondContact O-CG1 3.41Å; L152-I156 PolarHBondContact O-N 2.91Å; L152-I156 VanDerWaalsContact O-N 3.16Å; L152-F164 HydrophobicContact CD1-CB 4.4Å; L152-F164 HydrophobicContact CD1-CD1 3.16Å; L152-F164 HydrophobicContact CD1-CD2 4.16Å; L152-F164 HydrophobicContact CD1-CE1 3.27Å; L152-F164 HydrophobicContact CD1-CE2 4.25Å; L152-F164 HydrophobicContact CD1-CG 3.63Å; L152-F164 HydrophobicContact CD1-CZ 3.84Å; L152-F164 HydrophobicContact CG-CD1 4.44Å; L152-F164 HydrophobicContact CG-CE1 4.37Å; L152-F187 HydrophobicContact CB-CE1 3.93Å; L152-F187 HydrophobicContact CB-CZ 4.4Å; L152-F187 HydrophobicContact CD2-CD1 3.63Å; L152-F187 HydrophobicContact CD2-CE1 3.57Å; L152-F187 HydrophobicContact CG-CD1 4.35Å; L152-F187 HydrophobicContact CG-CE1 3.82Å; L152-L188 HydrophobicContact CD2-CD2 3.88Å; L152-L188 HydrophobicContact CD2-CG 4.49Å; L152-L188 HydrophobicContact CG-CD2 4.29Å
153D97.6Very high97Very high27 Ų2746.1 Ų46.114%0.14423%0.23CC..Hα-helixtrans-62.8-41.2174.2-159.650.9000111.8K149 Q150 E151 I156 K157 F187 R191K149-D153 PolarHBondContact O-N 3.48Å; K149-D153 VanDerWaalsContact O-N 3.16Å; Q150-D153 WeakPolarHBondContact O-CB 3.3Å; Q150-D153 PolarHBondContact O-N 3.24Å; E151-D153 VanDerWaalsContact C-N 3.32Å; E151-D153 PolarHBondContact O-N 2.9Å; D153-I156 PolarHBondContact O-N 2.73Å; D153-K157 WeakPolarHBondContact O-CB 3.39Å; D153-K157 WeakPolarHBondContact O-CG 3.44Å; D153-K157 PolarHBondContact O-N 3.3Å; D153-K157 WeakPolarHBondContact OD1-CE 3.42Å; D153-K157 IonicContact OD1-NZ 2.87Å; D153-K157 PolarHBondContact OD1-NZ 2.9Å; D153-K157 VanDerWaalsContact OD2-CE 3.27Å; D153-K157 WeakPolarHBondContact OD2-CE 3.03Å; D153-K157 IonicContact OD2-NZ 2.88Å; D153-K157 PolarHBondContact OD2-NZ 3.34Å; D153-F187 HydrophobicContact CB-CZ 4.07Å; D153-R191 WeakPolarHBondContact OD1-CD 3.23Å; D153-R191 IonicContact OD1-CZ 2.63Å; D153-R191 IonicContact OD1-NE 3.7Å; D153-R191 PolarHBondContact OD1-NE 3.19Å
154N98Very high97.2Very high58 Ų5844.1 Ų44.131%0.3122%0.221SC..Hα-helixtrans-67.5-41.7178-67.3-15.6000111.8L117 Q150 E151 L152 I156 K157 E158 K159L117-N154 HydrophobicContact CD1-CB 4.29Å; L117-N154 HydrophobicContact CD2-CB 4.33Å; Q150-N154 PolarHBondContact O-N 2.78Å; Q150-N154 VanDerWaalsContact O-N 3.08Å; E151-N154 WeakPolarHBondContact O-CB 3.48Å; E151-N154 PolarHBondContact O-N 3.39Å; E151-N154 VanDerWaalsContact O-N 3.17Å; L152-N154 VanDerWaalsContact C-N 3.35Å; N154-I156 VanDerWaalsContact C-N 3.27Å; N154-I156 PolarHBondContact O-N 2.97Å; N154-K157 PolarHBondContact O-N 3.42Å; N154-E158 WeakPolarHBondContact O-CB 3.41Å; N154-E158 PolarHBondContact O-N 2.58Å; N154-K159 PolarHBondContact O-N 3.46Å
155L98.5Very high97.4Very high0 Ų042.9 Ų42.90%022%0.216CC..Iπ-helixtrans-57.2-42.9175-75.8166000111.5L116 L117 Y120 V139 E151 L152 K159 G160 V161 F164L116-L155 HydrophobicContact CB-CD1 3.88Å; L116-L155 HydrophobicContact CD1-CD1 4.2Å; L117-L155 HydrophobicContact CD2-CD2 3.81Å; L117-L155 HydrophobicContact CD2-CG 3.82Å; Y120-L155 HydrophobicContact CD1-CD2 4.25Å; Y120-L155 HydrophobicContact CD2-CD2 3.94Å; Y120-L155 HydrophobicContact CG-CD2 3.73Å; V139-L155 HydrophobicContact CB-CD1 4.23Å; V139-L155 HydrophobicContact CG1-CD1 3.89Å; V139-L155 HydrophobicContact CG2-CD1 4.12Å; V139-L155 HydrophobicContact CG2-CD2 4.25Å; E151-L155 WeakPolarHBondContact O-CG 3.32Å; E151-L155 PolarHBondContact O-N 2.86Å; L152-L155 PolarHBondContact O-N 3.5Å; L155-K159 HydrophobicContact CD2-CB 4.11Å; L155-K159 HydrophobicContact CD2-CG 4.13Å; L155-K159 PolarHBondContact O-N 2.76Å; L155-G160 PolarHBondContact O-N 3.27Å; L155-V161 HydrophobicContact CB-CB 4.4Å; L155-V161 HydrophobicContact CD2-CG2 4.38Å; L155-V161 PolarHBondContact O-N 3.49Å; L155-F164 HydrophobicContact CB-CE1 4.12Å; L155-F164 HydrophobicContact CB-CZ 4.29Å; L155-F164 HydrophobicContact CD1-CE1 4.21Å
156I98Very high97.5Very high5 Ų539.8 Ų39.83%0.02620%0.199CC..Iπ-helixtrans-67.1-47.2178.4-67170.9000112.1L152 D153 N154 V161 F164 L188 R191 P473L152-I156 VanDerWaalsContact O-CG1 3.27Å; L152-I156 WeakPolarHBondContact O-CG1 3.41Å; L152-I156 PolarHBondContact O-N 2.91Å; L152-I156 VanDerWaalsContact O-N 3.16Å; D153-I156 PolarHBondContact O-N 2.73Å; N154-I156 VanDerWaalsContact C-N 3.27Å; N154-I156 PolarHBondContact O-N 2.97Å; I156-V161 WeakPolarHBondContact CA-O 3.34Å; I156-F164 HydrophobicContact CD1-CE2 3.7Å; I156-F164 HydrophobicContact CD1-CZ 4.03Å; I156-F164 HydrophobicContact CG1-CE2 3.46Å; I156-F164 VanDerWaalsContact CG1-CE2 3.46Å; I156-F164 HydrophobicContact CG1-CZ 3.4Å; I156-F164 VanDerWaalsContact CG1-CZ 3.4Å; I156-L188 HydrophobicContact CD1-CD2 4.11Å; I156-R191 HydrophobicContact CD1-CB 3.76Å; I156-R191 HydrophobicContact CG2-CB 4.49Å; I156-P473 HydrophobicContact CG2-CB 3.8Å; I156-P473 HydrophobicContact CG2-CG 4.03Å
157K96.4Very high97.7Very high140 Ų14035 Ų3561%0.60917%0.173SC*.Iπ-helixtrans-80.2-37.9-171.4-72.4173.2178174.10113.4D153 N154D153-K157 WeakPolarHBondContact O-CB 3.39Å; D153-K157 WeakPolarHBondContact O-CG 3.44Å; D153-K157 PolarHBondContact O-N 3.3Å; D153-K157 WeakPolarHBondContact OD1-CE 3.42Å; D153-K157 IonicContact OD1-NZ 2.87Å; D153-K157 PolarHBondContact OD1-NZ 2.9Å; D153-K157 VanDerWaalsContact OD2-CE 3.27Å; D153-K157 WeakPolarHBondContact OD2-CE 3.03Å; D153-K157 IonicContact OD2-NZ 2.88Å; D153-K157 PolarHBondContact OD2-NZ 3.34Å; N154-K157 PolarHBondContact O-N 3.42Å
158E97Very high97.8Very high147 Ų14731.8 Ų31.869%0.68715%0.151SC*.Iπ-helixtrans-118.2-31.4-164-56.1-171.9174.400113.3N154N154-E158 WeakPolarHBondContact O-CB 3.41Å; N154-E158 PolarHBondContact O-N 2.58Å
159K97.6Very high97.9Very high58 Ų5831.9 Ų31.925%0.25215%0.152SC..Iπ-helixtrans-97.5-8.2-174.3-56.6-66.6-165146.80113.6L117 Y120 D121 N154 L155 F468L117-K159 HydrophobicContact CD2-CG 4.23Å; Y120-K159 HydrophobicContact CD1-CB 4.42Å; Y120-K159 HydrophobicContact CD1-CD 4.22Å; Y120-K159 HydrophobicContact CD1-CG 4.28Å; Y120-K159 HydrophobicContact CE1-CB 3.83Å; Y120-K159 HydrophobicContact CE1-CD 3.7Å; Y120-K159 HydrophobicContact CE1-CG 3.94Å; Y120-K159 HydrophobicContact CE2-CB 4.34Å; Y120-K159 PolarHBondContact OH-O 3.1Å; Y120-K159 VanDerWaalsContact OH-O 3.11Å; D121-K159 IonicContact OD1-NZ 2.8Å; D121-K159 PolarHBondContact OD1-NZ 2.91Å; D121-K159 IonicContact OD2-NZ 2.69Å; D121-K159 PolarHBondContact OD2-NZ 2.87Å; N154-K159 PolarHBondContact O-N 3.46Å; L155-K159 HydrophobicContact CD2-CB 4.11Å; L155-K159 HydrophobicContact CD2-CG 4.13Å; L155-K159 PolarHBondContact O-N 2.76Å; K159-F468 WeakPolarHBondContact O-CE1 3.28Å; K159-F468 WeakPolarHBondContact O-CZ 3.36Å
160G96.1Very high97.9Very high12 Ų1232.1 Ų32.112%0.12415%0.152CC..  trans73.438.4176.600000113.1L155 C471L155-G160 PolarHBondContact O-N 3.27Å; G160-C471 CarbonylContact C-O 3.5Å; G160-C471 PolarHBondContact O-N 3.4Å
161V98.4Very high97.8Very high0 Ų029.2 Ų29.20%014%0.137CC..  trans-108.7128.6174.5179.90000108.9Y120 V139 L155 I156 F164Y120-V161 HydrophobicContact CD2-CG2 4.05Å; Y120-V161 HydrophobicContact CE2-CG2 3.65Å; V139-V161 HydrophobicContact CG2-CG1 4.05Å; V139-V161 HydrophobicContact CG2-CG2 4.35Å; L155-V161 HydrophobicContact CB-CB 4.4Å; L155-V161 HydrophobicContact CD2-CG2 4.38Å; L155-V161 PolarHBondContact O-N 3.49Å; I156-V161 WeakPolarHBondContact CA-O 3.34Å; V161-F164 HydrophobicContact CB-CE1 4.3Å; V161-F164 HydrophobicContact CB-CZ 4.15Å; V161-F164 HydrophobicContact CG1-CD1 4.3Å; V161-F164 HydrophobicContact CG1-CE1 3.55Å; V161-F164 HydrophobicContact CG1-CE2 4.46Å; V161-F164 HydrophobicContact CG1-CZ 3.65Å
162N98.2Very high97.6Very high0 Ų035 Ų350%017%0.169CC..  trans-122.69.5-179.669.54.8000114.2G193 I194 L392 C471 P472N162-G193 CarbonylContact O-C 3.53Å; N162-G193 VanDerWaalsContact O-CA 3.3Å; N162-G193 WeakPolarHBondContact O-CA 3.21Å; N162-I194 PolarHBondContact O-N 2.96Å; N162-L392 PolarHBondContact ND2-O 3.15Å; N162-C471 HydrophobicContact CB-CB 4.43Å; N162-C471 WeakPolarHBondContact CB-O 3.33Å; N162-P472 PolarHBondContact ND2-O 3.03Å
163S98.6Very high97.4Very high3 Ų339.1 Ų39.12%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-144.1131.2-172.729.50000110.3H138 V139 I194H138-S163 PolarHBondContact CE1-OG 2.87Å; H138-S163 VanDerWaalsContact ND1-CB 3.29Å; H138-S163 WeakPolarHBondContact ND1-CB 3.44Å; H138-S163 PolarHBondContact ND1-OG 3.22Å; V139-S163 PolarHBondContact N-O 2.81Å; S163-I194 WeakPolarHBondContact CA-O 3.37Å
164F98.8Very high97.3Very high0 Ų039.3 Ų39.30%018%0.184CC..EExtended strand (participates in β ladder)trans-138.7126.4-168.6-57.1-81000110.7V139 V141 L152 L155 I156 V161 L188 I194 Q196V139-F164 HydrophobicContact CB-CD1 3.93Å; V139-F164 HydrophobicContact CB-CE1 4.12Å; V139-F164 WeakPolarHBondContact O-CA 3.49Å; V141-F164 HydrophobicContact CG2-CB 4.26Å; L152-F164 HydrophobicContact CD1-CB 4.4Å; L152-F164 HydrophobicContact CD1-CD1 3.16Å; L152-F164 HydrophobicContact CD1-CD2 4.16Å; L152-F164 HydrophobicContact CD1-CE1 3.27Å; L152-F164 HydrophobicContact CD1-CE2 4.25Å; L152-F164 HydrophobicContact CD1-CG 3.63Å; L152-F164 HydrophobicContact CD1-CZ 3.84Å; L152-F164 HydrophobicContact CG-CD1 4.44Å; L152-F164 HydrophobicContact CG-CE1 4.37Å; L155-F164 HydrophobicContact CB-CE1 4.12Å; L155-F164 HydrophobicContact CB-CZ 4.29Å; L155-F164 HydrophobicContact CD1-CE1 4.21Å; I156-F164 HydrophobicContact CD1-CE2 3.7Å; I156-F164 HydrophobicContact CD1-CZ 4.03Å; I156-F164 HydrophobicContact CG1-CE2 3.46Å; I156-F164 VanDerWaalsContact CG1-CE2 3.46Å; I156-F164 HydrophobicContact CG1-CZ 3.4Å; I156-F164 VanDerWaalsContact CG1-CZ 3.4Å; V161-F164 HydrophobicContact CB-CE1 4.3Å; V161-F164 HydrophobicContact CB-CZ 4.15Å; V161-F164 HydrophobicContact CG1-CD1 4.3Å; V161-F164 HydrophobicContact CG1-CE1 3.55Å; V161-F164 HydrophobicContact CG1-CE2 4.46Å; V161-F164 HydrophobicContact CG1-CZ 3.65Å; F164-L188 HydrophobicContact CB-CD1 4.17Å; F164-L188 HydrophobicContact CB-CD2 4.48Å; F164-L188 HydrophobicContact CD2-CD1 4.31Å; F164-L188 HydrophobicContact CD2-CD2 3.36Å; F164-L188 HydrophobicContact CD2-CG 4.48Å; F164-L188 HydrophobicContact CE2-CD2 3.84Å; F164-L188 HydrophobicContact CG-CD2 4.1Å; F164-I194 PolarHBondContact N-O 3.29Å; F164-Q196 PolarHBondContact O-N 3.27Å
165Q98.8Very high97.3Very high0 Ų038.7 Ų38.70%018%0.179CC..EExtended strand (participates in β ladder)trans-94.8136.1-178.9179.8155.5-93.700111.8H107 V139 D140 V141 Y167 Q196 T253H107-Q165 PolarHBondContact CE1-NE2 3.18Å; V139-Q165 PolarHBondContact O-N 3.34Å; V139-Q165 VanDerWaalsContact O-N 3.14Å; D140-Q165 CarbonylContact C-O 3.18Å; D140-Q165 WeakPolarHBondContact CA-O 3.4Å; D140-Q165 PolarHBondContact OD2-NE2 2.96Å; V141-Q165 PolarHBondContact N-O 3.08Å; Q165-Y167 HydrophobicContact CG-CE2 4.2Å; Q165-Y167 PolarHBondContact NE2-OH 2.99Å; Q165-Q196 WeakPolarHBondContact CA-O 3.39Å; Q165-Q196 HydrophobicContact CB-CB 3.82Å; Q165-Q196 HydrophobicContact CG-CB 4.25Å; Q165-T253 PolarHBondContact OE1-OG1 2.98Å
166V98.7Very high97.3Very high1 Ų139 Ų391%0.00618%0.181CC..EExtended strand (participates in β ladder)trans-124.2165.8168.6-52.30000110.7V141 M176 L181 V184 F185 Q196 I197 H198V141-V166 HydrophobicContact CB-CG1 4.04Å; V166-M176 HydrophobicContact CB-CE 4.16Å; V166-M176 HydrophobicContact CB-SD 3.67Å; V166-M176 HydrophobicContact CG1-CE 3.88Å; V166-M176 HydrophobicContact CG1-SD 3.77Å; V166-M176 HydrophobicContact CG2-SD 4.33Å; V166-L181 HydrophobicContact CB-CD2 4.24Å; V166-L181 HydrophobicContact CG2-CD2 3.37Å; V166-V184 HydrophobicContact CG1-CG1 3.95Å; V166-F185 HydrophobicContact CG2-CE1 3.79Å; V166-F185 HydrophobicContact CG2-CZ 4.3Å; V166-Q196 PolarHBondContact N-O 2.98Å; V166-I197 HydrophobicContact CG2-CD1 3.43Å; V166-I197 VanDerWaalsContact CG2-CD1 3.43Å; V166-I197 WeakPolarHBondContact O-CA 3.21Å; V166-I197 WeakPolarHBondContact O-CD1 3.45Å; V166-H198 PolarHBondContact O-N 3.04Å
167Y98.6Very high97.3Very high6 Ų641.5 Ų41.52%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-123.3133.7-167.9-67.9-90.7000112.1D140 Q165 Y170 Y174 M176 H198D140-Y167 HydrophobicContact CB-CE2 4.07Å; D140-Y167 VanDerWaalsContact OD2-CE2 3.28Å; D140-Y167 WeakPolarHBondContact OD2-CE2 3.2Å; D140-Y167 PolarHBondContact OD2-OH 3.46Å; Q165-Y167 HydrophobicContact CG-CE2 4.2Å; Q165-Y167 PolarHBondContact NE2-OH 2.99Å; Y167-Y170 AromaticContact CD1-CD2 3.54Å; Y167-Y170 HydrophobicContact CD1-CD2 3.54Å; Y167-Y170 AromaticContact CD1-CE2 3.49Å; Y167-Y170 HydrophobicContact CD1-CE2 3.49Å; Y167-Y170 VanDerWaalsContact CD1-CE2 3.49Å; Y167-Y170 HydrophobicContact CE1-CD2 4.03Å; Y167-Y170 AromaticContact CE1-CE2 3.65Å; Y167-Y170 HydrophobicContact CE1-CE2 3.65Å; Y167-Y170 HydrophobicContact CG-CD2 4.29Å; Y167-Y174 HydrophobicContact CD1-CD2 4.48Å; Y167-Y174 HydrophobicContact CD2-CG 4.3Å; Y167-Y174 HydrophobicContact CE1-CD2 4.42Å; Y167-Y174 HydrophobicContact CE2-CD2 4.49Å; Y167-Y174 HydrophobicContact CG-CD2 4.5Å; Y167-Y174 HydrophobicContact CG-CG 4.46Å; Y167-M176 PolarHBondContact O-N 3.13Å; Y167-H198 HydrophobicContact CD1-CB 3.6Å; Y167-H198 AromaticContact CD1-CD2 3.76Å; Y167-H198 AromaticContact CD1-CG 3.88Å; Y167-H198 HydrophobicContact CE1-CB 3.85Å; Y167-H198 HydrophobicContact CG-CB 4.46Å
168M98.8Very high97.4Very high1 Ų138.7 Ų38.71%0.00519%0.19CC..SBendtrans-100.4-10.8167.3-62.9174.175.600112.3Q175 L181 I197 H198 A199 E200 G202 A235 R238 A239M168-Q175 WeakPolarHBondContact O-CG 3.5Å; M168-Q175 PolarHBondContact O-NE2 2.92Å; M168-L181 HydrophobicContact CE-CD1 4.38Å; M168-L181 HydrophobicContact CG-CD1 3.96Å; M168-L181 HydrophobicContact SD-CD1 4.38Å; M168-I197 HydrophobicContact CG-CD1 3.6Å; M168-I197 HydrophobicContact CG-CG1 4.08Å; M168-I197 HydrophobicContact SD-CD1 3.87Å; M168-I197 HydrophobicContact SD-CG1 3.75Å; M168-H198 PolarHBondContact N-O 3.01Å; M168-A199 HydrophobicContact SD-CB 4.25Å; M168-E200 CarbonylContact C-O 3.53Å; M168-E200 VanDerWaalsContact CB-O 3.26Å; M168-E200 WeakPolarHBondContact CB-O 3.4Å; M168-G202 PolarHBondContact O-N 2.86Å; M168-A235 HydrophobicContact CE-CB 3.81Å; M168-A235 WeakPolarHBondContact CE-O 3.36Å; M168-A235 HydrophobicContact SD-CB 4.03Å; M168-R238 HydrophobicContact CE-CB 4.06Å; M168-R238 HydrophobicContact CE-CG 3.99Å; M168-A239 HydrophobicContact SD-CB 3.83Å
169A97.6Very high97.4Very high2 Ų235.7 Ų35.72%0.01719%0.185CC..  trans-104.4-175.9176.400000111.7Q175 H198 E200A169-Q175 VanDerWaalsContact O-CA 3.28Å; A169-Q175 WeakPolarHBondContact O-CA 3.11Å; A169-Q175 VanDerWaalsContact O-CB 3.28Å; A169-Q175 WeakPolarHBondContact O-CB 3.26Å; A169-Q175 PolarHBondContact O-N 3.03Å; A169-H198 WeakPolarHBondContact CB-NE2 3.47Å; A169-E200 HydrophobicContact CB-CB 4.08Å; A169-E200 PolarHBondContact N-O 3.03Å
170Y96.6Very high97.5Very high57 Ų5735.8 Ų35.822%0.22419%0.187CC..SBendtrans59.862.9-177.4-43.8-74.7000112.6Y167 Y173 Y174 Q175 H198 S304 E353Y167-Y170 AromaticContact CD1-CD2 3.54Å; Y167-Y170 HydrophobicContact CD1-CD2 3.54Å; Y167-Y170 AromaticContact CD1-CE2 3.49Å; Y167-Y170 HydrophobicContact CD1-CE2 3.49Å; Y167-Y170 VanDerWaalsContact CD1-CE2 3.49Å; Y167-Y170 HydrophobicContact CE1-CD2 4.03Å; Y167-Y170 AromaticContact CE1-CE2 3.65Å; Y167-Y170 HydrophobicContact CE1-CE2 3.65Å; Y167-Y170 HydrophobicContact CG-CD2 4.29Å; Y170-Y173 PolarHBondContact O-N 3.42Å; Y170-Y173 VanDerWaalsContact O-N 3.13Å; Y170-Y174 AromaticContact CD2-CD2 3.79Å; Y170-Y174 HydrophobicContact CD2-CD2 3.79Å; Y170-Y174 AromaticContact CG-CD2 3.98Å; Y170-Y174 HydrophobicContact CG-CD2 3.98Å; Y170-Y174 PolarHBondContact O-N 3.21Å; Y170-Q175 PolarHBondContact O-N 2.9Å; Y170-Q175 VanDerWaalsContact O-N 3.15Å; Y170-H198 AromaticContact CE2-CD2 3.48Å; Y170-H198 VanDerWaalsContact CE2-CD2 3.48Å; Y170-H198 WeakPolarHBondContact CE2-CD2 3.44Å; Y170-H198 AromaticContact CE2-NE2 3.4Å; Y170-H198 WeakPolarHBondContact CE2-NE2 3.45Å; Y170-H198 AromaticContact CZ-NE2 3.66Å; Y170-H198 PolarHBondContact OH-NE2 2.9Å; Y170-S304 WeakPolarHBondContact OH-CB 3.45Å; Y170-E353 WeakPolarHBondContact CE1-OE2 3.31Å; Y170-E353 PolarHBondContact OH-OE2 3.15Å
171K96.7Very high97.6Very high67 Ų6735.2 Ų35.229%0.29118%0.181SC..THydrogen-bonded Turntrans-50.9140.4178.3-176.6177.4177169.50111.7Y173 Q175 E203 A206K171-Y173 PolarHBondContact O-N 2.81Å; K171-Y173 VanDerWaalsContact O-N 3.15Å; K171-Q175 VanDerWaalsContact CB-OE1 3.24Å; K171-E203 VanDerWaalsContact CE-OE1 3.29Å; K171-E203 WeakPolarHBondContact CE-OE1 3.42Å; K171-E203 WeakPolarHBondContact CE-OE2 3.45Å; K171-E203 IonicContact NZ-OE1 3.71Å; K171-E203 PolarHBondContact NZ-OE1 3.08Å; K171-E203 IonicContact NZ-OE2 3.59Å; K171-E203 PolarHBondContact NZ-OE2 3.23Å; K171-A206 HydrophobicContact CB-CB 4.2Å; K171-A206 HydrophobicContact CD-CB 4Å
172D93.4Very high97.6Very high152 Ų15241 Ų4181%0.81320%0.204SC*.THydrogen-bonded Turntrans63.49-179.4-52.4-40.8000114.6
173Y93.4Very high97.6Very high85 Ų8545.1 Ų45.133%0.33322%0.223SC..THydrogen-bonded Turntrans-129.7-66.5-179.7-165.5-125.6000113.1E111 P112 Y170 K171E111-Y173 VanDerWaalsContact CD-OH 3.3Å; E111-Y173 PolarHBondContact OE1-OH 3.36Å; E111-Y173 PolarHBondContact OE2-OH 3.28Å; P112-Y173 HydrophobicContact CG-CD2 3.77Å; P112-Y173 HydrophobicContact CG-CE2 3.61Å; P112-Y173 HydrophobicContact CG-CG 4.39Å; P112-Y173 WeakPolarHBondContact CG-O 3.43Å; Y170-Y173 PolarHBondContact O-N 3.42Å; Y170-Y173 VanDerWaalsContact O-N 3.13Å; K171-Y173 PolarHBondContact O-N 2.81Å; K171-Y173 VanDerWaalsContact O-N 3.15Å
174Y95.8Very high97.6Very high32 Ų3245 Ų4513%0.12522%0.222CC..THydrogen-bonded Turntrans-112.7-17.4177.8-57.4-40.2000113.7P112 T142 Y167 Y170 M176P112-Y174 HydrophobicContact CG-CD1 4.01Å; P112-Y174 HydrophobicContact CG-CE1 3.89Å; T142-Y174 HydrophobicContact CG2-CD1 3.46Å; T142-Y174 VanDerWaalsContact CG2-CD1 3.46Å; T142-Y174 HydrophobicContact CG2-CE1 3.53Å; T142-Y174 HydrophobicContact CG2-CG 4.32Å; Y167-Y174 HydrophobicContact CD1-CD2 4.48Å; Y167-Y174 HydrophobicContact CD2-CG 4.3Å; Y167-Y174 HydrophobicContact CE1-CD2 4.42Å; Y167-Y174 HydrophobicContact CE2-CD2 4.49Å; Y167-Y174 HydrophobicContact CG-CD2 4.5Å; Y167-Y174 HydrophobicContact CG-CG 4.46Å; Y170-Y174 AromaticContact CD2-CD2 3.79Å; Y170-Y174 HydrophobicContact CD2-CD2 3.79Å; Y170-Y174 AromaticContact CG-CD2 3.98Å; Y170-Y174 HydrophobicContact CG-CD2 3.98Å; Y170-Y174 PolarHBondContact O-N 3.21Å; Y174-M176 PolarHBondContact O-N 3.47Å
175Q97.8Very high97.6Very high45 Ų4545 Ų4521%0.2122%0.222CC..BIsolated β-bridgetrans-58.7123.7-170.9-174.6173.617.900112.4M168 A169 Y170 K171M168-Q175 WeakPolarHBondContact O-CG 3.5Å; M168-Q175 PolarHBondContact O-NE2 2.92Å; A169-Q175 VanDerWaalsContact O-CA 3.28Å; A169-Q175 WeakPolarHBondContact O-CA 3.11Å; A169-Q175 VanDerWaalsContact O-CB 3.28Å; A169-Q175 WeakPolarHBondContact O-CB 3.26Å; A169-Q175 PolarHBondContact O-N 3.03Å; Y170-Q175 PolarHBondContact O-N 2.9Å; Y170-Q175 VanDerWaalsContact O-N 3.15Å; K171-Q175 VanDerWaalsContact CB-OE1 3.24Å
176M97.5Very high97.6Very high5 Ų547 Ų473%0.02523%0.234CC..PPolyproline II helixtrans-91.8142.2170.5-70.4-172.8177.200112V141 V166 Y167 Y174 E180 L181 V184V141-M176 HydrophobicContact CB-CE 3.99Å; V141-M176 HydrophobicContact CG1-CE 3.63Å; V141-M176 WeakPolarHBondContact O-CE 3.35Å; V166-M176 HydrophobicContact CB-CE 4.16Å; V166-M176 HydrophobicContact CB-SD 3.67Å; V166-M176 HydrophobicContact CG1-CE 3.88Å; V166-M176 HydrophobicContact CG1-SD 3.77Å; V166-M176 HydrophobicContact CG2-SD 4.33Å; Y167-M176 PolarHBondContact O-N 3.13Å; Y174-M176 PolarHBondContact O-N 3.47Å; M176-E180 HydrophobicContact CB-CB 4.13Å; M176-E180 HydrophobicContact CG-CB 4.35Å; M176-E180 HydrophobicContact SD-CB 4.41Å; M176-L181 HydrophobicContact CB-CD2 3.84Å; M176-L181 HydrophobicContact CB-CG 3.95Å; M176-L181 HydrophobicContact SD-CD2 4.14Å; M176-V184 HydrophobicContact CE-CG2 4.3Å; M176-V184 HydrophobicContact SD-CG2 4.05Å
177S98Very high97.6Very high58 Ų5847.9 Ų47.941%0.40624%0.238SC..PPolyproline II helixtrans-69.6161.6167.570.70000111.5S179 E180 L181S177-S179 PolarHBondContact O-N 3.5Å; S177-E180 VanDerWaalsContact CB-OE2 3.23Å; S177-E180 WeakPolarHBondContact CB-OE2 3.32Å; S177-E180 PolarHBondContact N-OE2 3.05Å; S177-E180 PolarHBondContact O-N 3.09Å; S177-E180 WeakPolarHBondContact OG-CG 3.41Å; S177-E180 PolarHBondContact OG-N 2.97Å; S177-E180 PolarHBondContact OG-OE2 3.11Å; S177-L181 WeakPolarHBondContact O-CG 3.3Å; S177-L181 PolarHBondContact O-N 2.6Å
178N98.4Very high97.6Very high81 Ų8147.6 Ų47.643%0.43324%0.237SC..Hα-helixtrans-60.4-29.6176.7-65-22.7000113Y182 R238 I242N178-Y182 WeakPolarHBondContact O-CB 3.39Å; N178-Y182 PolarHBondContact O-N 2.72Å; N178-R238 PolarHBondContact OD1-NH1 3.4Å; N178-I242 HydrophobicContact CB-CD1 4.22Å
179S98.3Very high97.5Very high84 Ų8448.4 Ų48.459%0.58724%0.244SC*.Hα-helixtrans-68.7-46.7175-85.80000111.5S177 L181 Y182 E183S177-S179 PolarHBondContact O-N 3.5Å; S179-L181 PolarHBondContact O-N 3.46Å; S179-Y182 WeakPolarHBondContact O-CB 3.33Å; S179-Y182 PolarHBondContact O-N 2.98Å; S179-E183 WeakPolarHBondContact O-CG 3.47Å; S179-E183 PolarHBondContact O-N 3.14Å
180E98.2Very high97.5Very high61 Ų6153.7 Ų53.729%0.28527%0.268SS..Hα-helixtrans-62.9-43.6177.9-68.8159.7132.200110.9W144 M176 S177 Y182 E183 V184W144-E180 HydrophobicContact CB-CB 4.21Å; W144-E180 HydrophobicContact CB-CG 4.07Å; W144-E180 HydrophobicContact CG-CB 4.47Å; W144-E180 HydrophobicContact CG-CG 4.47Å; M176-E180 HydrophobicContact CB-CB 4.13Å; M176-E180 HydrophobicContact CG-CB 4.35Å; M176-E180 HydrophobicContact SD-CB 4.41Å; S177-E180 VanDerWaalsContact CB-OE2 3.23Å; S177-E180 WeakPolarHBondContact CB-OE2 3.32Å; S177-E180 PolarHBondContact N-OE2 3.05Å; S177-E180 PolarHBondContact O-N 3.09Å; S177-E180 WeakPolarHBondContact OG-CG 3.41Å; S177-E180 PolarHBondContact OG-N 2.97Å; S177-E180 PolarHBondContact OG-OE2 3.11Å; E180-Y182 VanDerWaalsContact C-N 3.3Å; E180-Y182 PolarHBondContact O-N 2.8Å; E180-E183 PolarHBondContact O-N 3.43Å; E180-E183 VanDerWaalsContact O-N 3.14Å; E180-V184 VanDerWaalsContact O-CG2 3.28Å; E180-V184 WeakPolarHBondContact O-CG2 3.24Å; E180-V184 PolarHBondContact O-N 3.2Å
181L98.7Very high97.5Very high0 Ų054.2 Ų54.20%027%0.27CS..Hα-helixtrans-56.4-44.1173.4-67.7175.4000112V166 M168 M176 S177 S179 F185 I197 I242V166-L181 HydrophobicContact CB-CD2 4.24Å; V166-L181 HydrophobicContact CG2-CD2 3.37Å; M168-L181 HydrophobicContact CE-CD1 4.38Å; M168-L181 HydrophobicContact CG-CD1 3.96Å; M168-L181 HydrophobicContact SD-CD1 4.38Å; M176-L181 HydrophobicContact CB-CD2 3.84Å; M176-L181 HydrophobicContact CB-CG 3.95Å; M176-L181 HydrophobicContact SD-CD2 4.14Å; S177-L181 WeakPolarHBondContact O-CG 3.3Å; S177-L181 PolarHBondContact O-N 2.6Å; S179-L181 PolarHBondContact O-N 3.46Å; L181-F185 HydrophobicContact CD2-CE1 4.41Å; L181-F185 HydrophobicContact CD2-CZ 4.28Å; L181-F185 VanDerWaalsContact O-CB 3.26Å; L181-F185 WeakPolarHBondContact O-CB 3.35Å; L181-F185 WeakPolarHBondContact O-CD1 3.25Å; L181-F185 WeakPolarHBondContact O-CG 3.48Å; L181-F185 PolarHBondContact O-N 3.01Å; L181-I197 HydrophobicContact CD2-CD1 4.15Å; L181-I242 HydrophobicContact CB-CD1 4.21Å; L181-I242 HydrophobicContact CB-CG2 4.41Å; L181-I242 HydrophobicContact CD1-CD1 4.06Å
182Y98.8Very high97.5Very high120 Ų12051 Ų5147%0.47126%0.256SS..Hα-helixtrans-62.1-43.6177.2-177.2-84.4000111.7N178 S179 E180 T186 I242 Q245 T246N178-Y182 WeakPolarHBondContact O-CB 3.39Å; N178-Y182 PolarHBondContact O-N 2.72Å; S179-Y182 WeakPolarHBondContact O-CB 3.33Å; S179-Y182 PolarHBondContact O-N 2.98Å; E180-Y182 VanDerWaalsContact C-N 3.3Å; E180-Y182 PolarHBondContact O-N 2.8Å; Y182-T186 WeakPolarHBondContact O-CB 3.44Å; Y182-T186 PolarHBondContact O-N 3.25Å; Y182-T186 PolarHBondContact O-OG1 3.31Å; Y182-I242 HydrophobicContact CD2-CG2 4.33Å; Y182-Q245 HydrophobicContact CE2-CB 4.18Å; Y182-T246 HydrophobicContact CD1-CG2 4.41Å; Y182-T246 HydrophobicContact CD2-CG2 3.52Å; Y182-T246 HydrophobicContact CE1-CG2 4.43Å; Y182-T246 HydrophobicContact CE2-CG2 3.55Å; Y182-T246 HydrophobicContact CG-CG2 3.97Å
183E98.6Very high97.7Very high87 Ų8743.8 Ų43.841%0.40722%0.217SC..Hα-helixtrans-66.3-48.2178.4-71.4-173.7-159.300112.5W144 K149 S179 E180 F185 T186 F187W144-E183 HydrophobicContact CZ2-CB 4.12Å; W144-E183 VanDerWaalsContact NE1-CB 3.31Å; W144-E183 PolarHBondContact NE1-OE2 2.92Å; K149-E183 IonicContact NZ-OE2 2.88Å; S179-E183 WeakPolarHBondContact O-CG 3.47Å; S179-E183 PolarHBondContact O-N 3.14Å; E180-E183 PolarHBondContact O-N 3.43Å; E180-E183 VanDerWaalsContact O-N 3.14Å; E183-F185 PolarHBondContact O-N 2.92Å; E183-T186 PolarHBondContact O-N 3.26Å; E183-F187 WeakPolarHBondContact O-CB 3.14Å; E183-F187 PolarHBondContact O-N 3.27Å
184V98.6Very high98Very high0 Ų039.8 Ų39.80%020%0.201CC..Hα-helixtrans-59.2-48.4177.4175.40000110.3W144 V166 M176 E180 T186 F187 L188W144-V184 HydrophobicContact CD2-CG2 3.48Å; W144-V184 VanDerWaalsContact CD2-CG2 3.48Å; W144-V184 HydrophobicContact CE3-CG2 3.42Å; W144-V184 VanDerWaalsContact CE3-CG2 3.42Å; W144-V184 HydrophobicContact CG-CG2 4.04Å; W144-V184 HydrophobicContact CH2-CB 4.39Å; W144-V184 HydrophobicContact CH2-CG2 3.92Å; W144-V184 HydrophobicContact CZ2-CG2 4Å; W144-V184 HydrophobicContact CZ3-CB 4.46Å; W144-V184 HydrophobicContact CZ3-CG2 3.67Å; V166-V184 HydrophobicContact CG1-CG1 3.95Å; M176-V184 HydrophobicContact CE-CG2 4.3Å; M176-V184 HydrophobicContact SD-CG2 4.05Å; E180-V184 VanDerWaalsContact O-CG2 3.28Å; E180-V184 WeakPolarHBondContact O-CG2 3.24Å; E180-V184 PolarHBondContact O-N 3.2Å; V184-T186 VanDerWaalsContact C-N 3.33Å; V184-T186 PolarHBondContact O-N 3.19Å; V184-F187 WeakPolarHBondContact O-CB 3.23Å; V184-F187 PolarHBondContact O-N 3.16Å; V184-L188 HydrophobicContact CG1-CD1 3.86Å; V184-L188 HydrophobicContact CG1-CG 4.26Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 2.66Å
185F98.8Very high98.1Very high0 Ų038.3 Ų38.30%020%0.196CC..Hα-helixtrans-65.2-38.9-178.2-68.1-0.9000111.7V166 L181 E183 F187 A189 A195 I242 A243 T246 C248 L250V166-F185 HydrophobicContact CG2-CE1 3.79Å; V166-F185 HydrophobicContact CG2-CZ 4.3Å; L181-F185 HydrophobicContact CD2-CE1 4.41Å; L181-F185 HydrophobicContact CD2-CZ 4.28Å; L181-F185 VanDerWaalsContact O-CB 3.26Å; L181-F185 WeakPolarHBondContact O-CB 3.35Å; L181-F185 WeakPolarHBondContact O-CD1 3.25Å; L181-F185 WeakPolarHBondContact O-CG 3.48Å; L181-F185 PolarHBondContact O-N 3.01Å; E183-F185 PolarHBondContact O-N 2.92Å; F185-F187 VanDerWaalsContact C-N 3.35Å; F185-A189 VanDerWaalsContact O-CB 3.29Å; F185-A189 WeakPolarHBondContact O-CB 3.36Å; F185-A189 PolarHBondContact O-N 3.44Å; F185-A195 HydrophobicContact CD1-CB 3.6Å; F185-A195 HydrophobicContact CE1-CB 3.62Å; F185-A195 HydrophobicContact CG-CB 4.39Å; F185-A195 HydrophobicContact CZ-CB 4.41Å; F185-I242 HydrophobicContact CD2-CB 4.32Å; F185-I242 HydrophobicContact CD2-CG2 3.76Å; F185-I242 HydrophobicContact CE2-CB 4.32Å; F185-I242 HydrophobicContact CE2-CG2 4.13Å; F185-A243 HydrophobicContact CD2-CB 3.93Å; F185-A243 HydrophobicContact CE2-CB 4.06Å; F185-T246 HydrophobicContact CB-CG2 4.16Å; F185-T246 WeakPolarHBondContact CB-OG1 3.42Å; F185-C248 HydrophobicContact CB-CB 3.87Å; F185-C248 WeakPolarHBondContact O-CB 3.44Å; F185-C248 PolarHBondContact O-SG 2.88Å; F185-L250 HydrophobicContact CE2-CD1 4.09Å; F185-L250 HydrophobicContact CZ-CD1 3.87Å
186T98.4Very high98.2Very high42 Ų4236.2 Ų36.226%0.25819%0.186SC..Hα-helixtrans-60.6-46.9173.6-59.70000110.7Y182 E183 V184 L188 A189 E190 T246Y182-T186 WeakPolarHBondContact O-CB 3.44Å; Y182-T186 PolarHBondContact O-N 3.25Å; Y182-T186 PolarHBondContact O-OG1 3.31Å; E183-T186 PolarHBondContact O-N 3.26Å; V184-T186 VanDerWaalsContact C-N 3.33Å; V184-T186 PolarHBondContact O-N 3.19Å; T186-L188 PolarHBondContact O-N 3.03Å; T186-A189 PolarHBondContact O-N 3.47Å; T186-E190 PolarHBondContact O-N 3.19Å; T186-T246 VanDerWaalsContact OG1-CG2 3.24Å; T186-T246 WeakPolarHBondContact OG1-CG2 2.79Å
187F98.6Very high98.2Very high21 Ų2136 Ų369%0.09219%0.185CC..Hα-helixtrans-60.7-46.5-179.6-179.5-85.1000112.5W144 K149 L152 D153 E183 V184 F185 E190 R191W144-F187 HydrophobicContact CH2-CB 3.99Å; W144-F187 HydrophobicContact CH2-CD1 4.3Å; W144-F187 HydrophobicContact CH2-CD2 4.34Å; W144-F187 AromaticContact CH2-CG 3.97Å; W144-F187 HydrophobicContact CH2-CG 3.97Å; W144-F187 HydrophobicContact CZ2-CB 4.28Å; K149-F187 HydrophobicContact CB-CE2 3.98Å; K149-F187 HydrophobicContact CB-CZ 4.43Å; K149-F187 HydrophobicContact CG-CD2 4.28Å; K149-F187 HydrophobicContact CG-CE2 4.23Å; K149-F187 WeakPolarHBondContact O-CZ 3.42Å; L152-F187 HydrophobicContact CB-CE1 3.93Å; L152-F187 HydrophobicContact CB-CZ 4.4Å; L152-F187 HydrophobicContact CD2-CD1 3.63Å; L152-F187 HydrophobicContact CD2-CE1 3.57Å; L152-F187 HydrophobicContact CG-CD1 4.35Å; L152-F187 HydrophobicContact CG-CE1 3.82Å; D153-F187 HydrophobicContact CB-CZ 4.07Å; E183-F187 WeakPolarHBondContact O-CB 3.14Å; E183-F187 PolarHBondContact O-N 3.27Å; V184-F187 WeakPolarHBondContact O-CB 3.23Å; V184-F187 PolarHBondContact O-N 3.16Å; F185-F187 VanDerWaalsContact C-N 3.35Å; F187-E190 PolarHBondContact O-N 2.54Å; F187-R191 VanDerWaalsContact CD2-CZ 3.46Å; F187-R191 VanDerWaalsContact CD2-NH1 3.3Å; F187-R191 VanDerWaalsContact CE2-NE 3.27Å; F187-R191 VanDerWaalsContact CE2-NH2 3.34Å; F187-R191 VanDerWaalsContact CZ-CZ 3.44Å; F187-R191 PolarHBondContact O-N 3Å; F187-R191 PolarHBondContact O-NH1 2.95Å
188L98.4Very high98.3Very high0 Ų033.2 Ų33.20%017%0.166CC..Hα-helixtrans-67.6-39.2179.2-69.8178.6000112.4L152 I156 F164 V184 T186 E190 R191 G192 G193 A195 Y479L152-L188 HydrophobicContact CD2-CD2 3.88Å; L152-L188 HydrophobicContact CD2-CG 4.49Å; L152-L188 HydrophobicContact CG-CD2 4.29Å; I156-L188 HydrophobicContact CD1-CD2 4.11Å; F164-L188 HydrophobicContact CB-CD1 4.17Å; F164-L188 HydrophobicContact CB-CD2 4.48Å; F164-L188 HydrophobicContact CD2-CD1 4.31Å; F164-L188 HydrophobicContact CD2-CD2 3.36Å; F164-L188 HydrophobicContact CD2-CG 4.48Å; F164-L188 HydrophobicContact CE2-CD2 3.84Å; F164-L188 HydrophobicContact CG-CD2 4.1Å; V184-L188 HydrophobicContact CG1-CD1 3.86Å; V184-L188 HydrophobicContact CG1-CG 4.26Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 2.66Å; T186-L188 PolarHBondContact O-N 3.03Å; L188-E190 PolarHBondContact O-N 3.11Å; L188-R191 PolarHBondContact O-N 3.17Å; L188-R191 VanDerWaalsContact O-N 3.14Å; L188-G192 PolarHBondContact O-N 3.28Å; L188-G193 PolarHBondContact O-N 3.33Å; L188-G193 VanDerWaalsContact O-N 3.1Å; L188-A195 HydrophobicContact CD1-CB 3.89Å; L188-Y479 PolarHBondContact O-OH 3.34Å; L188-Y479 VanDerWaalsContact O-OH 3.11Å
189A97.2Very high98.3Very high17 Ų1729.5 Ų29.514%0.1415%0.146CC..Hα-helixtrans-58.3-35.317700000112.3F185 T186 C248F185-A189 VanDerWaalsContact O-CB 3.29Å; F185-A189 WeakPolarHBondContact O-CB 3.36Å; F185-A189 PolarHBondContact O-N 3.44Å; T186-A189 PolarHBondContact O-N 3.47Å; A189-C248 HydrophobicContact CB-CB 3.9Å
190E96.5Very high98.3Very high114 Ų11425.5 Ų25.553%0.53312%0.118SC..Hα-helixtrans-76.5-29.7178.5-68.8-177.8160.100113.8T186 F187 L188 F474T186-E190 PolarHBondContact O-N 3.19Å; F187-E190 PolarHBondContact O-N 2.54Å; L188-E190 PolarHBondContact O-N 3.11Å; E190-F474 WeakPolarHBondContact O-CZ 3.38Å
191R97.7Very high98.3Very high67 Ų6723.6 Ų23.625%0.25311%0.11SC..Hα-helixtrans-101.5-4.1-173-73.3160.617980-2.1114.6D153 I156 F187 L188 F474D153-R191 WeakPolarHBondContact OD1-CD 3.23Å; D153-R191 IonicContact OD1-CZ 2.63Å; D153-R191 IonicContact OD1-NE 3.7Å; D153-R191 PolarHBondContact OD1-NE 3.19Å; I156-R191 HydrophobicContact CD1-CB 3.76Å; I156-R191 HydrophobicContact CG2-CB 4.49Å; F187-R191 VanDerWaalsContact CD2-CZ 3.46Å; F187-R191 VanDerWaalsContact CD2-NH1 3.3Å; F187-R191 VanDerWaalsContact CE2-NE 3.27Å; F187-R191 VanDerWaalsContact CE2-NH2 3.34Å; F187-R191 VanDerWaalsContact CZ-CZ 3.44Å; F187-R191 PolarHBondContact O-N 3Å; F187-R191 PolarHBondContact O-NH1 2.95Å; L188-R191 PolarHBondContact O-N 3.17Å; L188-R191 VanDerWaalsContact O-N 3.14Å; R191-F474 VanDerWaalsContact O-CE2 3.29Å; R191-F474 WeakPolarHBondContact O-CE2 3.48Å
192G97.1Very high98.3Very high0 Ų023.7 Ų23.70%011%0.111CC..THydrogen-bonded Turntrans8817.3176.200000114.3L188 F474 Y479L188-G192 PolarHBondContact O-N 3.28Å; G192-F474 VanDerWaalsContact CA-CD1 3.4Å; G192-F474 VanDerWaalsContact CA-CE1 3.43Å; G192-F474 PolarHBondContact O-N 2.87Å; G192-Y479 VanDerWaalsContact C-CZ 3.48Å; G192-Y479 VanDerWaalsContact CA-OH 3.25Å; G192-Y479 WeakPolarHBondContact CA-OH 3.42Å; G192-Y479 WeakPolarHBondContact O-CE2 3.26Å
193G97.7Very high98.3Very high0 Ų022.1 Ų22.10%011%0.108CC..  trans-91.1144177.100000113.4N162 L188 Y479N162-G193 CarbonylContact O-C 3.53Å; N162-G193 VanDerWaalsContact O-CA 3.3Å; N162-G193 WeakPolarHBondContact O-CA 3.21Å; L188-G193 PolarHBondContact O-N 3.33Å; L188-G193 VanDerWaalsContact O-N 3.1Å; G193-Y479 PolarHBondContact N-OH 3.29Å; G193-Y479 VanDerWaalsContact N-OH 3.09Å; G193-Y479 PolarHBondContact O-OH 3.14Å
194I98.4Very high98.3Very high1 Ų121.5 Ų21.51%0.00511%0.106CC..EExtended strand (participates in β ladder)trans-86.5128173.1-62.3-178000109N162 S163 F164 Q196 I391 P475 A478N162-I194 PolarHBondContact O-N 2.96Å; S163-I194 WeakPolarHBondContact CA-O 3.37Å; F164-I194 PolarHBondContact N-O 3.29Å; I194-Q196 PolarHBondContact O-N 2.86Å; I194-I391 HydrophobicContact CD1-CG2 3.63Å; I194-I391 WeakPolarHBondContact CD1-O 3.46Å; I194-P475 HydrophobicContact CD1-CG 3.66Å; I194-P475 HydrophobicContact CG1-CG 3.98Å; I194-A478 HydrophobicContact CD1-CB 4.29Å
195A98.8Very high98.3Very high1 Ų121.9 Ų21.91%0.00811%0.109CC..EExtended strand (participates in β ladder)trans-84.3112.3173.400000110F185 L188 P249 L250 Y251F185-A195 HydrophobicContact CD1-CB 3.6Å; F185-A195 HydrophobicContact CE1-CB 3.62Å; F185-A195 HydrophobicContact CG-CB 4.39Å; F185-A195 HydrophobicContact CZ-CB 4.41Å; L188-A195 HydrophobicContact CD1-CB 3.89Å; A195-P249 PolarHBondContact N-O 2.78Å; A195-L250 HydrophobicContact CB-CD1 4.49Å; A195-L250 CarbonylContact O-C 3.58Å; A195-Y251 PolarHBondContact O-N 2.8Å
196Q98.9Very high98.3Very high2 Ų223.8 Ų23.81%0.00912%0.124CC..EExtended strand (participates in β ladder)trans-85.8144.8166.7-76.5172.7-26.100110H138 F164 Q165 V166 I194 Y251 T253H138-Q196 PolarHBondContact CD2-NE2 2.91Å; H138-Q196 PolarHBondContact CE1-NE2 2.89Å; H138-Q196 PolarHBondContact NE2-NE2 2.79Å; F164-Q196 PolarHBondContact O-N 3.27Å; Q165-Q196 WeakPolarHBondContact CA-O 3.39Å; Q165-Q196 HydrophobicContact CB-CB 3.82Å; Q165-Q196 HydrophobicContact CG-CB 4.25Å; V166-Q196 PolarHBondContact N-O 2.98Å; I194-Q196 PolarHBondContact O-N 2.86Å; Q196-Y251 CarbonylContact C-O 3.57Å; Q196-Y251 VanDerWaalsContact CA-O 3.24Å; Q196-Y251 WeakPolarHBondContact CA-O 3.38Å; Q196-Y251 HydrophobicContact CG-CD1 3.8Å; Q196-Y251 HydrophobicContact CG-CG 3.93Å; Q196-T253 HydrophobicContact CB-CG2 3.95Å; Q196-T253 HydrophobicContact CG-CG2 3.97Å
197I98.8Very high98.3Very high0 Ų029.1 Ų29.10%014%0.144CC..EExtended strand (participates in β ladder)trans-134.7124.8179.9-169.766.1000111V166 M168 L181 A199 A239 L250 Y251 V252 T253V166-I197 HydrophobicContact CG2-CD1 3.43Å; V166-I197 VanDerWaalsContact CG2-CD1 3.43Å; V166-I197 WeakPolarHBondContact O-CA 3.21Å; V166-I197 WeakPolarHBondContact O-CD1 3.45Å; M168-I197 HydrophobicContact CG-CD1 3.6Å; M168-I197 HydrophobicContact CG-CG1 4.08Å; M168-I197 HydrophobicContact SD-CD1 3.87Å; M168-I197 HydrophobicContact SD-CG1 3.75Å; L181-I197 HydrophobicContact CD2-CD1 4.15Å; I197-A199 HydrophobicContact CG1-CB 4.04Å; I197-A199 HydrophobicContact CG2-CB 4.25Å; I197-A239 HydrophobicContact CG1-CB 4.09Å; I197-A239 HydrophobicContact CG2-CB 4.2Å; I197-L250 HydrophobicContact CB-CD1 4.14Å; I197-L250 HydrophobicContact CG2-CD1 3.74Å; I197-L250 HydrophobicContact CG2-CD2 4.42Å; I197-L250 HydrophobicContact CG2-CG 4.18Å; I197-Y251 PolarHBondContact N-O 3.25Å; I197-V252 HydrophobicContact CG2-CB 4.3Å; I197-V252 HydrophobicContact CG2-CG1 4.45Å; I197-V252 HydrophobicContact CG2-CG2 3.98Å; I197-T253 PolarHBondContact O-N 3.23Å; I197-T253 VanDerWaalsContact O-N 3.14Å; I197-T253 PolarHBondContact O-OG1 3.1Å
198H98.8Very high98.3Very high0 Ų030.4 Ų30.40%015%0.15CC..EExtended strand (participates in β ladder)trans-86.3103159.4175.180.5000108.4V166 Y167 M168 A169 Y170 E200 R254 S304V166-H198 PolarHBondContact O-N 3.04Å; Y167-H198 HydrophobicContact CD1-CB 3.6Å; Y167-H198 AromaticContact CD1-CD2 3.76Å; Y167-H198 AromaticContact CD1-CG 3.88Å; Y167-H198 HydrophobicContact CE1-CB 3.85Å; Y167-H198 HydrophobicContact CG-CB 4.46Å; M168-H198 PolarHBondContact N-O 3.01Å; A169-H198 WeakPolarHBondContact CB-NE2 3.47Å; Y170-H198 AromaticContact CE2-CD2 3.48Å; Y170-H198 VanDerWaalsContact CE2-CD2 3.48Å; Y170-H198 WeakPolarHBondContact CE2-CD2 3.44Å; Y170-H198 AromaticContact CE2-NE2 3.4Å; Y170-H198 WeakPolarHBondContact CE2-NE2 3.45Å; Y170-H198 AromaticContact CZ-NE2 3.66Å; Y170-H198 PolarHBondContact OH-NE2 2.9Å; H198-E200 IonicContact CE1-OE2 2.85Å; H198-E200 PolarHBondContact CE1-OE2 3.23Å; H198-E200 IonicContact NE2-OE2 3.98Å; H198-E200 PolarHBondContact NE2-OE2 3.1Å; H198-E200 VanDerWaalsContact NE2-OE2 3.11Å; H198-R254 VanDerWaalsContact ND1-CZ 3.29Å; H198-R254 PolarHBondContact ND1-NH2 3.43Å; H198-S304 PolarHBondContact CE1-O 3.38Å
199A98.6Very high98.3Very high2 Ų232.4 Ų32.42%0.01716%0.159CC..  trans-106.186.5-163.900000112.4M168 I197 E232 A235 V236M168-A199 HydrophobicContact SD-CB 4.25Å; I197-A199 HydrophobicContact CG1-CB 4.04Å; I197-A199 HydrophobicContact CG2-CB 4.25Å; A199-E232 WeakPolarHBondContact O-CA 3.4Å; A199-A235 VanDerWaalsContact C-CB 3.41Å; A199-A235 HydrophobicContact CB-CB 4.04Å; A199-V236 HydrophobicContact CB-CG2 3.63Å
200E98.8Very high98.4Very high1 Ų132.9 Ų32.91%0.00517%0.166CC..  trans-133.1156.6163.4-54.7174.674.100110M168 A169 H198 G202 I205 R227 A235 S304 P305M168-E200 CarbonylContact C-O 3.53Å; M168-E200 VanDerWaalsContact CB-O 3.26Å; M168-E200 WeakPolarHBondContact CB-O 3.4Å; A169-E200 HydrophobicContact CB-CB 4.08Å; A169-E200 PolarHBondContact N-O 3.03Å; H198-E200 IonicContact CE1-OE2 2.85Å; H198-E200 PolarHBondContact CE1-OE2 3.23Å; H198-E200 IonicContact NE2-OE2 3.98Å; H198-E200 PolarHBondContact NE2-OE2 3.1Å; H198-E200 VanDerWaalsContact NE2-OE2 3.11Å; E200-G202 PolarHBondContact O-N 3.23Å; E200-G202 VanDerWaalsContact O-N 3.09Å; E200-I205 HydrophobicContact CB-CD1 3.51Å; E200-I205 HydrophobicContact CG-CD1 4.37Å; E200-R227 WeakPolarHBondContact OE1-CD 3.44Å; E200-A235 VanDerWaalsContact C-CB 3.49Å; E200-S304 PolarHBondContact OE2-OG 3.46Å; E200-P305 HydrophobicContact CG-CB 3.97Å; E200-P305 HydrophobicContact CG-CG 3.73Å; E200-P305 WeakPolarHBondContact OE2-CA 3.34Å
201N98.8Very high98.5Very high20 Ų2032.3 Ų32.311%0.10716%0.159CC..  trans-78.791.5178.2-168.7-50.3000111.9E203 I204 I205 L231 E234N201-E203 VanDerWaalsContact C-N 3.26Å; N201-E203 PolarHBondContact O-N 2.9Å; N201-E203 PolarHBondContact OD1-N 3.27Å; N201-I204 PolarHBondContact O-N 2.88Å; N201-I204 PolarHBondContact OD1-N 3.23Å; N201-I204 VanDerWaalsContact OD1-N 3.16Å; N201-I205 VanDerWaalsContact O-CG1 3.29Å; N201-I205 WeakPolarHBondContact O-CG1 3.38Å; N201-I205 PolarHBondContact O-N 3.4Å; N201-L231 HydrophobicContact CB-CB 4.21Å; N201-L231 HydrophobicContact CB-CD2 4.45Å; N201-L231 PolarHBondContact N-O 3.01Å; N201-L231 VanDerWaalsContact N-O 3.14Å; N201-E234 PolarHBondContact ND2-OE2 3.24Å
202G98.4Very high98.5Very high2 Ų229.4 Ų29.42%0.02115%0.148CC..Hα-helixtrans-58.6-30.6-176.300000115.6M168 E200 A206M168-G202 PolarHBondContact O-N 2.86Å; E200-G202 PolarHBondContact O-N 3.23Å; E200-G202 VanDerWaalsContact O-N 3.09Å; G202-A206 WeakPolarHBondContact O-CB 3.43Å; G202-A206 PolarHBondContact O-N 3.06Å; G202-A206 VanDerWaalsContact O-N 3.09Å
203E98.4Very high98.6Very high87 Ų8732 Ų3241%0.40716%0.162SC..Hα-helixtrans-67.7-46.1179.3-73.5-67.4158.300111.8K171 N201 K207K171-E203 VanDerWaalsContact CE-OE1 3.29Å; K171-E203 WeakPolarHBondContact CE-OE1 3.42Å; K171-E203 WeakPolarHBondContact CE-OE2 3.45Å; K171-E203 IonicContact NZ-OE1 3.71Å; K171-E203 PolarHBondContact NZ-OE1 3.08Å; K171-E203 IonicContact NZ-OE2 3.59Å; K171-E203 PolarHBondContact NZ-OE2 3.23Å; N201-E203 VanDerWaalsContact C-N 3.26Å; N201-E203 PolarHBondContact O-N 2.9Å; N201-E203 PolarHBondContact OD1-N 3.27Å; E203-K207 PolarHBondContact O-N 3.34Å
204I98.6Very high98.6Very high74 Ų7440.1 Ų40.138%0.37920%0.2SC..Hα-helixtrans-73.2-39.6179.7-61.2174.3000110.1N201 A206 K207 E208 L231N201-I204 PolarHBondContact O-N 2.88Å; N201-I204 PolarHBondContact OD1-N 3.23Å; N201-I204 VanDerWaalsContact OD1-N 3.16Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.29Å; I204-K207 PolarHBondContact O-N 2.86Å; I204-K207 VanDerWaalsContact O-N 3.11Å; I204-E208 HydrophobicContact CG2-CG 4.04Å; I204-E208 PolarHBondContact O-N 2.79Å; I204-L231 HydrophobicContact CB-CD1 3.96Å; I204-L231 HydrophobicContact CB-CD2 4.12Å; I204-L231 HydrophobicContact CD1-CD2 3.95Å; I204-L231 HydrophobicContact CG2-CD1 3.64Å; I204-L231 HydrophobicContact CG2-CD2 3.82Å; I204-L231 HydrophobicContact CG2-CG 4.41Å
205I98.8Very high98.6Very high9 Ų945.5 Ų45.55%0.04623%0.226CC..Hα-helixtrans-55-49.8175.5-69.9174.8000110.8E200 N201 K207 E208 Q209 R227 L231E200-I205 HydrophobicContact CB-CD1 3.51Å; E200-I205 HydrophobicContact CG-CD1 4.37Å; N201-I205 VanDerWaalsContact O-CG1 3.29Å; N201-I205 WeakPolarHBondContact O-CG1 3.38Å; N201-I205 PolarHBondContact O-N 3.4Å; I205-K207 VanDerWaalsContact C-N 3.26Å; I205-K207 PolarHBondContact O-N 3.4Å; I205-E208 PolarHBondContact O-N 3.41Å; I205-Q209 HydrophobicContact CG2-CG 4.1Å; I205-Q209 WeakPolarHBondContact O-CB 3.33Å; I205-Q209 VanDerWaalsContact O-CG 3.26Å; I205-Q209 WeakPolarHBondContact O-CG 3.35Å; I205-Q209 PolarHBondContact O-N 2.76Å; I205-R227 HydrophobicContact CD1-CB 3.84Å; I205-R227 HydrophobicContact CG1-CB 3.69Å; I205-L231 HydrophobicContact CG1-CD1 3.79Å
206A98.6Very high98.6Very high39 Ų3948 Ų4832%0.32225%0.252SS..Hα-helixtrans-60.1-36.3179.900000112.6K171 G202 I204 G210K171-A206 HydrophobicContact CB-CB 4.2Å; K171-A206 HydrophobicContact CD-CB 4Å; G202-A206 WeakPolarHBondContact O-CB 3.43Å; G202-A206 PolarHBondContact O-N 3.06Å; G202-A206 VanDerWaalsContact O-N 3.09Å; I204-A206 VanDerWaalsContact C-N 3.34Å; I204-A206 PolarHBondContact O-N 3.29Å; A206-G210 PolarHBondContact O-N 2.98Å
207K98.5Very high98.6Very high155 Ų15549.8 Ų49.867%0.67426%0.261SS*.Hα-helixtrans-69.7-45.8176.1-72.8-66.3-177.2-175.60112.4E203 I204 I205 G210 R211E203-K207 PolarHBondContact O-N 3.34Å; I204-K207 PolarHBondContact O-N 2.86Å; I204-K207 VanDerWaalsContact O-N 3.11Å; I205-K207 VanDerWaalsContact C-N 3.26Å; I205-K207 PolarHBondContact O-N 3.4Å; K207-G210 PolarHBondContact O-N 2.97Å; K207-R211 PolarHBondContact O-N 2.68Å
208E98.6Very high98.6Very high47 Ų4752.4 Ų52.422%0.2228%0.278CS..Hα-helixtrans-71.6-34.8-177.8-73-60.5114.300112I204 I205 G210 R211 M212 S226I204-E208 HydrophobicContact CG2-CG 4.04Å; I204-E208 PolarHBondContact O-N 2.79Å; I205-E208 PolarHBondContact O-N 3.41Å; E208-G210 PolarHBondContact O-N 3.03Å; E208-R211 WeakPolarHBondContact O-CB 3.37Å; E208-R211 PolarHBondContact O-N 2.86Å; E208-R211 VanDerWaalsContact O-N 3.15Å; E208-R211 IonicContact OE1-NE 2.79Å; E208-R211 PolarHBondContact OE1-NE 2.91Å; E208-R211 VanDerWaalsContact OE1-NE 3.17Å; E208-R211 IonicContact OE2-CZ 3.68Å; E208-R211 IonicContact OE2-NE 2.88Å; E208-R211 PolarHBondContact OE2-NE 2.71Å; E208-R211 IonicContact OE2-NH2 3.78Å; E208-R211 PolarHBondContact OE2-NH2 2.76Å; E208-M212 WeakPolarHBondContact O-CG 3.35Å; E208-M212 PolarHBondContact O-N 2.85Å; E208-S226 VanDerWaalsContact CB-O 3.25Å; E208-S226 WeakPolarHBondContact CB-O 3.46Å
209Q98.6Very high98.6Very high42 Ų4252.9 Ų52.920%0.19628%0.282CS..Hα-helixtrans-56.7-50.3170.5-76.4176.6-23.600111.3I205 R211 M212 L213 F348 T349I205-Q209 HydrophobicContact CG2-CG 4.1Å; I205-Q209 WeakPolarHBondContact O-CB 3.33Å; I205-Q209 VanDerWaalsContact O-CG 3.26Å; I205-Q209 WeakPolarHBondContact O-CG 3.35Å; I205-Q209 PolarHBondContact O-N 2.76Å; Q209-R211 VanDerWaalsContact C-N 3.28Å; Q209-R211 PolarHBondContact O-N 3.42Å; Q209-M212 PolarHBondContact O-N 2.91Å; Q209-L213 WeakPolarHBondContact O-CG 3.31Å; Q209-L213 PolarHBondContact O-N 3.45Å; Q209-L213 VanDerWaalsContact O-N 3.12Å; Q209-F348 HydrophobicContact CB-CZ 4.37Å; Q209-F348 HydrophobicContact CG-CE2 4.02Å; Q209-F348 HydrophobicContact CG-CZ 4.23Å; Q209-T349 HydrophobicContact CB-CG2 4Å; Q209-T349 HydrophobicContact CG-CG2 4.07Å
210G98.5Very high98.6Very high27 Ų2752.9 Ų52.928%0.27828%0.282SS..Hα-helixtrans-59.7-38.4175.100000112.8A206 K207 E208 Q214A206-G210 PolarHBondContact O-N 2.98Å; K207-G210 PolarHBondContact O-N 2.97Å; E208-G210 PolarHBondContact O-N 3.03Å; G210-Q214 WeakPolarHBondContact O-CB 3.37Å; G210-Q214 WeakPolarHBondContact O-CG 3.39Å; G210-Q214 PolarHBondContact O-N 3.23Å
211R98.6Very high98.6Very high103 Ų10355.4 Ų55.439%0.38929%0.294SS..Hα-helixtrans-66-44.5176.7-168.7179.671.283.9-9.2112.4K207 E208 Q209 L213 Q214 M215K207-R211 PolarHBondContact O-N 2.68Å; E208-R211 WeakPolarHBondContact O-CB 3.37Å; E208-R211 PolarHBondContact O-N 2.86Å; E208-R211 VanDerWaalsContact O-N 3.15Å; E208-R211 IonicContact OE1-NE 2.79Å; E208-R211 PolarHBondContact OE1-NE 2.91Å; E208-R211 VanDerWaalsContact OE1-NE 3.17Å; E208-R211 IonicContact OE2-CZ 3.68Å; E208-R211 IonicContact OE2-NE 2.88Å; E208-R211 PolarHBondContact OE2-NE 2.71Å; E208-R211 IonicContact OE2-NH2 3.78Å; E208-R211 PolarHBondContact OE2-NH2 2.76Å; Q209-R211 VanDerWaalsContact C-N 3.28Å; Q209-R211 PolarHBondContact O-N 3.42Å; R211-L213 PolarHBondContact O-N 3.46Å; R211-Q214 PolarHBondContact O-N 3.03Å; R211-M215 HydrophobicContact CG-SD 4.33Å; R211-M215 PolarHBondContact NH1-SD 3.28Å; R211-M215 WeakPolarHBondContact O-CG 3.35Å; R211-M215 PolarHBondContact O-N 2.77Å; R211-M215 VanDerWaalsContact O-N 3.09Å
212M98.7Very high98.6Very high6 Ų654.5 Ų54.53%0.0329%0.289CS..Hα-helixtrans-58.7-47.7177.1-69.4-54.1130.600111.3E208 Q209 Q214 M215 G216 I217 L225 F348E208-M212 WeakPolarHBondContact O-CG 3.35Å; E208-M212 PolarHBondContact O-N 2.85Å; Q209-M212 PolarHBondContact O-N 2.91Å; M212-Q214 PolarHBondContact O-N 2.52Å; M212-M215 WeakPolarHBondContact O-CB 3.22Å; M212-M215 PolarHBondContact O-N 3.36Å; M212-M215 VanDerWaalsContact O-N 3.11Å; M212-G216 PolarHBondContact O-N 3.11Å; M212-I217 CarbonylContact C-O 3.54Å; M212-I217 HydrophobicContact CB-CB 4.33Å; M212-I217 WeakPolarHBondContact O-CB 3.32Å; M212-I217 PolarHBondContact O-N 3.4Å; M212-I217 HydrophobicContact SD-CD1 3.88Å; M212-L225 HydrophobicContact CE-CB 4.21Å; M212-L225 HydrophobicContact CG-CB 4.46Å; M212-L225 HydrophobicContact SD-CB 3.73Å; M212-L225 HydrophobicContact SD-CD1 4.42Å; M212-F348 HydrophobicContact CB-CE1 3.72Å; M212-F348 HydrophobicContact CB-CZ 3.85Å; M212-F348 HydrophobicContact CG-CZ 4.29Å
213L98.7Very high98.6Very high54 Ų5454.4 Ų54.428%0.28329%0.288SS..Hα-helixtrans-63.3-41.1178.4-66.1174.6000112.1Q209 R211 M215 G216 T218 F348 T349Q209-L213 WeakPolarHBondContact O-CG 3.31Å; Q209-L213 PolarHBondContact O-N 3.45Å; Q209-L213 VanDerWaalsContact O-N 3.12Å; R211-L213 PolarHBondContact O-N 3.46Å; L213-M215 PolarHBondContact O-N 3.42Å; L213-G216 PolarHBondContact O-N 3.32Å; L213-T218 HydrophobicContact CD2-CG2 4.02Å; L213-F348 HydrophobicContact CD2-CD1 4.03Å; L213-F348 HydrophobicContact CD2-CE1 3.84Å; L213-F348 HydrophobicContact CG-CE1 4.07Å; L213-T349 HydrophobicContact CD1-CG2 4.01Å
214Q98.6Very high98.6Very high171 Ų17150.6 Ų50.680%0.79927%0.27SS*.Hα-helixtrans-62.5-28.3174.9-75169.724.400113.1G210 R211 M212 G216G210-Q214 WeakPolarHBondContact O-CB 3.37Å; G210-Q214 WeakPolarHBondContact O-CG 3.39Å; G210-Q214 PolarHBondContact O-N 3.23Å; R211-Q214 PolarHBondContact O-N 3.03Å; M212-Q214 PolarHBondContact O-N 2.52Å; Q214-G216 PolarHBondContact O-N 2.98Å
215M98.5Very high98.6Very high114 Ų11450.5 Ų50.556%0.56227%0.27SS*.THydrogen-bonded Turntrans-81.4-1.2174.1-68.7176.26000113.3R211 M212 L213 I217R211-M215 HydrophobicContact CG-SD 4.33Å; R211-M215 PolarHBondContact NH1-SD 3.28Å; R211-M215 WeakPolarHBondContact O-CG 3.35Å; R211-M215 PolarHBondContact O-N 2.77Å; R211-M215 VanDerWaalsContact O-N 3.09Å; M212-M215 WeakPolarHBondContact O-CB 3.22Å; M212-M215 PolarHBondContact O-N 3.36Å; M212-M215 VanDerWaalsContact O-N 3.11Å; L213-M215 PolarHBondContact O-N 3.42Å; M215-I217 VanDerWaalsContact C-N 3.31Å; M215-I217 HydrophobicContact CB-CD1 4.34Å; M215-I217 HydrophobicContact CB-CG1 4.3Å; M215-I217 HydrophobicContact CE-CD1 4.27Å
216G98.5Very high98.6Very high54 Ų5450 Ų5056%0.55727%0.268SS*.THydrogen-bonded Turntrans77.813.1-175.900000114.1M212 L213 Q214 T218M212-G216 PolarHBondContact O-N 3.11Å; L213-G216 PolarHBondContact O-N 3.32Å; Q214-G216 PolarHBondContact O-N 2.98Å; G216-T218 PolarHBondContact O-N 2.77Å
217I98.8Very high98.6Very high38 Ų3848.5 Ų48.520%0.19525%0.254CS..  trans-86.794.8174.7-55.8172.7000107.5M212 M215 E221 L225 F348M212-I217 CarbonylContact C-O 3.54Å; M212-I217 HydrophobicContact CB-CB 4.33Å; M212-I217 WeakPolarHBondContact O-CB 3.32Å; M212-I217 PolarHBondContact O-N 3.4Å; M212-I217 HydrophobicContact SD-CD1 3.88Å; M215-I217 VanDerWaalsContact C-N 3.31Å; M215-I217 HydrophobicContact CB-CD1 4.34Å; M215-I217 HydrophobicContact CB-CG1 4.3Å; M215-I217 HydrophobicContact CE-CD1 4.27Å; I217-E221 HydrophobicContact CG2-CG 4.07Å; I217-L225 HydrophobicContact CD1-CD1 4.47Å; I217-F348 WeakPolarHBondContact O-CE1 3.17Å
218T98.7Very high98.5Very high56 Ų5643.5 Ų43.534%0.34424%0.237SC..  trans-109.4-9.2-176.858.20000113.7L213 G216 D346 F348L213-T218 HydrophobicContact CD2-CG2 4.02Å; G216-T218 PolarHBondContact O-N 2.77Å; T218-D346 VanDerWaalsContact CB-O 3.27Å; T218-D346 WeakPolarHBondContact CB-O 3.38Å; T218-D346 WeakPolarHBondContact CG2-O 3.46Å; T218-F348 PolarHBondContact O-N 2.88Å
219G98.6Very high98.5Very high9 Ų944 Ų449%0.09324%0.24CC..SBendtrans-79.7171.317900000113.7E221 G222 F348G219-E221 WeakPolarHBondContact CA-OE2 3.47Å; G219-E221 PolarHBondContact O-N 2.89Å; G219-E221 VanDerWaalsContact O-N 3.1Å; G219-G222 PolarHBondContact O-N 2.92Å; G219-F348 VanDerWaalsContact O-CB 3.3Å; G219-F348 WeakPolarHBondContact O-CB 3.27Å
220P98.8Very high98.5Very high2 Ų247.8 Ų47.81%0.01326%0.258CS..Hα-helixtrans-57-24-178.7-27.137.6000114.9G222 H223 Y290 A298 A299 V302 I351P220-G222 PolarHBondContact O-N 2.79Å; P220-H223 WeakPolarHBondContact O-CB 3.49Å; P220-H223 PolarHBondContact O-N 3.42Å; P220-Y290 HydrophobicContact CB-CD1 4.18Å; P220-A298 HydrophobicContact CB-CB 3.87Å; P220-A298 HydrophobicContact CG-CB 3.71Å; P220-A299 HydrophobicContact CG-CB 4.1Å; P220-V302 HydrophobicContact CB-CG2 3.9Å; P220-I351 HydrophobicContact CB-CD1 4.44Å; P220-I351 HydrophobicContact CG-CD1 3.94Å
221E98.7Very high98.5Very high55 Ų5547.4 Ų47.426%0.25725%0.249SC..Hα-helixtrans-61-31.2171.371.6-71.917500112.7I217 G219 H223 V224 L225 W291I217-E221 HydrophobicContact CG2-CG 4.07Å; G219-E221 WeakPolarHBondContact CA-OE2 3.47Å; G219-E221 PolarHBondContact O-N 2.89Å; G219-E221 VanDerWaalsContact O-N 3.1Å; E221-H223 PolarHBondContact O-N 3.28Å; E221-V224 PolarHBondContact O-N 3.29Å; E221-L225 WeakPolarHBondContact O-CB 3.12Å; E221-L225 WeakPolarHBondContact O-CG 3.1Å; E221-L225 PolarHBondContact O-N 3.17Å; E221-W291 HydrophobicContact CB-CD2 4.23Å; E221-W291 HydrophobicContact CB-CG 4.42Å; E221-W291 HydrophobicContact CB-CZ2 4.26Å
222G98.7Very high98.5Very high0 Ų042.9 Ų42.90%023%0.232CC..Hα-helixtrans-60.9-30.7173.100000112.5G219 P220 S226 F348G219-G222 PolarHBondContact O-N 2.92Å; P220-G222 PolarHBondContact O-N 2.79Å; G222-S226 VanDerWaalsContact O-CB 3.23Å; G222-S226 WeakPolarHBondContact O-CB 3.27Å; G222-S226 PolarHBondContact O-N 3.41Å; G222-S226 PolarHBondContact O-OG 2.87Å; G222-F348 VanDerWaalsContact C-CE2 3.48Å; G222-F348 WeakPolarHBondContact O-CE2 3.03Å; G222-F348 WeakPolarHBondContact O-CZ 3.49Å
223H98.6Very high98.5Very high0 Ų043 Ų430%024%0.235CC..Hα-helixtrans-59.6-54.7176.9-177.580.1000111.2P220 E221 S226 R227 T303 F348 E353P220-H223 WeakPolarHBondContact O-CB 3.49Å; P220-H223 PolarHBondContact O-N 3.42Å; E221-H223 PolarHBondContact O-N 3.28Å; H223-S226 PolarHBondContact O-N 2.76Å; H223-S226 PolarHBondContact O-OG 3.36Å; H223-R227 PolarHBondContact CE1-NH1 3.41Å; H223-R227 PolarHBondContact CE1-NH2 2.87Å; H223-R227 VanDerWaalsContact ND1-CZ 3.3Å; H223-R227 PolarHBondContact ND1-NH2 3.1Å; H223-R227 WeakPolarHBondContact O-CG 3.44Å; H223-T303 PolarHBondContact NE2-O 2.78Å; H223-F348 VanDerWaalsContact CA-CD2 3.4Å; H223-F348 HydrophobicContact CB-CD2 3.79Å; H223-F348 HydrophobicContact CB-CE2 4.38Å; H223-F348 HydrophobicContact CB-CG 4.47Å; H223-F348 VanDerWaalsContact N-CD2 3.32Å; H223-E353 IonicContact CE1-OE1 3.6Å; H223-E353 PolarHBondContact CE1-OE1 2.93Å; H223-E353 IonicContact ND1-OE1 2.76Å
224V97.8Very high98.5Very high7 Ų743.8 Ų43.84%0.04224%0.236CC..Hα-helixtrans-68.6-41.3179.8-173.60000111.8E221 S226 R227 Y290 W291 P306 P309E221-V224 PolarHBondContact O-N 3.29Å; V224-S226 PolarHBondContact O-N 2.94Å; V224-R227 CarbonylContact O-C 3.06Å; V224-R227 VanDerWaalsContact O-C 3.29Å; V224-R227 PolarHBondContact O-N 3.36Å; V224-R227 VanDerWaalsContact O-N 3.08Å; V224-Y290 HydrophobicContact CB-CD2 4.38Å; V224-Y290 HydrophobicContact CG2-CD1 4.05Å; V224-Y290 HydrophobicContact CG2-CD2 3.08Å; V224-Y290 HydrophobicContact CG2-CE1 4.12Å; V224-Y290 HydrophobicContact CG2-CE2 3.18Å; V224-Y290 HydrophobicContact CG2-CG 3.53Å; V224-W291 HydrophobicContact CB-CH2 4.44Å; V224-W291 HydrophobicContact CG1-CH2 4.46Å; V224-P306 HydrophobicContact CB-CB 4.39Å; V224-P306 HydrophobicContact CG1-CB 4.38Å; V224-P306 HydrophobicContact CG1-CG 4.32Å; V224-P306 HydrophobicContact CG2-CB 3.77Å; V224-P306 HydrophobicContact CG2-CG 4.48Å; V224-P309 HydrophobicContact CG1-CG 4.33Å
225L98.5Very high98.5Very high72 Ų7235.6 Ų35.638%0.37720%0.198SC..Hα-helixtrans-63.7-27.5178.8-68.8172000112.5M212 I217 E221 R227 W291M212-L225 HydrophobicContact CE-CB 4.21Å; M212-L225 HydrophobicContact CG-CB 4.46Å; M212-L225 HydrophobicContact SD-CB 3.73Å; M212-L225 HydrophobicContact SD-CD1 4.42Å; I217-L225 HydrophobicContact CD1-CD1 4.47Å; E221-L225 WeakPolarHBondContact O-CB 3.12Å; E221-L225 WeakPolarHBondContact O-CG 3.1Å; E221-L225 PolarHBondContact O-N 3.17Å; L225-R227 VanDerWaalsContact C-N 3.34Å; L225-W291 HydrophobicContact CD2-CZ2 4.23Å; L225-W291 HydrophobicContact CG-CZ2 4.27Å
226S98.6Very high98.6Very high0 Ų030.2 Ų30.20%017%0.172CC..THydrogen-bonded Turntrans-78.6-15.7176.4730000114.3E208 G222 H223 V224E208-S226 VanDerWaalsContact CB-O 3.25Å; E208-S226 WeakPolarHBondContact CB-O 3.46Å; G222-S226 VanDerWaalsContact O-CB 3.23Å; G222-S226 WeakPolarHBondContact O-CB 3.27Å; G222-S226 PolarHBondContact O-N 3.41Å; G222-S226 PolarHBondContact O-OG 2.87Å; H223-S226 PolarHBondContact O-N 2.76Å; H223-S226 PolarHBondContact O-OG 3.36Å; V224-S226 PolarHBondContact O-N 2.94Å
227R98.2Very high98.6Very high6 Ų633.1 Ų33.12%0.02317%0.169CC..SBendtrans-143.865.9-175.271.9-168.980.6178.87.3111.3E200 I205 H223 V224 L225 S304 P306 E353E200-R227 WeakPolarHBondContact OE1-CD 3.44Å; I205-R227 HydrophobicContact CD1-CB 3.84Å; I205-R227 HydrophobicContact CG1-CB 3.69Å; H223-R227 PolarHBondContact CE1-NH1 3.41Å; H223-R227 PolarHBondContact CE1-NH2 2.87Å; H223-R227 VanDerWaalsContact ND1-CZ 3.3Å; H223-R227 PolarHBondContact ND1-NH2 3.1Å; H223-R227 WeakPolarHBondContact O-CG 3.44Å; V224-R227 CarbonylContact O-C 3.06Å; V224-R227 VanDerWaalsContact O-C 3.29Å; V224-R227 PolarHBondContact O-N 3.36Å; V224-R227 VanDerWaalsContact O-N 3.08Å; L225-R227 VanDerWaalsContact C-N 3.34Å; R227-S304 PolarHBondContact NH1-OG 2.92Å; R227-P306 HydrophobicContact CG-CG 3.63Å; R227-E353 IonicContact CZ-OE1 3.42Å; R227-E353 IonicContact NH1-OE1 2.71Å; R227-E353 PolarHBondContact NH1-OE1 3.01Å; R227-E353 IonicContact NH1-OE2 3.71Å; R227-E353 IonicContact NH2-OE1 2.91Å; R227-E353 PolarHBondContact NH2-OE1 3.07Å
228P97.6Very high98.6Very high51 Ų5133.2 Ų33.233%0.33117%0.167SC..  trans-66.3160.6179.734.5-39.7000110.7E230 L231P228-E230 VanDerWaalsContact CB-OE2 3.3Å; P228-E230 WeakPolarHBondContact CB-OE2 3.31Å; P228-E230 PolarHBondContact O-N 3.35Å; P228-L231 HydrophobicContact CG-CG 4.32Å; P228-L231 WeakPolarHBondContact O-CB 3.26Å; P228-L231 PolarHBondContact O-N 3.46Å
229E98.1Very high98.6Very high58 Ų5830.6 Ų30.627%0.27115%0.151SC..Hα-helixtrans-60-22.2-168.659.1169.1-110.200114.7L231 E232 A233 S257 S259 S308E229-L231 PolarHBondContact O-N 3.35Å; E229-E232 WeakPolarHBondContact O-CB 3.4Å; E229-E232 PolarHBondContact O-N 3Å; E229-E232 VanDerWaalsContact O-N 3.12Å; E229-A233 WeakPolarHBondContact O-CB 3.37Å; E229-A233 PolarHBondContact O-N 3.42Å; E229-S257 VanDerWaalsContact CB-CB 3.44Å; E229-S259 WeakPolarHBondContact OE1-CB 3.4Å; E229-S259 PolarHBondContact OE1-OG 2.89Å; E229-S308 PolarHBondContact OE2-OG 3.33Å
230E98.6Very high98.6Very high121 Ų12130.8 Ų30.857%0.56515%0.15SC*.Hα-helixtrans-60.9-27.5174.6-60.684.317400112.5P228 E234P228-E230 VanDerWaalsContact CB-OE2 3.3Å; P228-E230 WeakPolarHBondContact CB-OE2 3.31Å; P228-E230 PolarHBondContact O-N 3.35Å; E230-E234 WeakPolarHBondContact O-CB 3.37Å; E230-E234 PolarHBondContact O-N 3.2Å
231L98.7Very high98.6Very high18 Ų1833.5 Ų33.59%0.09417%0.167CC..Hα-helixtrans-76.6-30.7177.3-56.1-166.1000112.6N201 I204 I205 P228 E229 A235N201-L231 HydrophobicContact CB-CB 4.21Å; N201-L231 HydrophobicContact CB-CD2 4.45Å; N201-L231 PolarHBondContact N-O 3.01Å; N201-L231 VanDerWaalsContact N-O 3.14Å; I204-L231 HydrophobicContact CB-CD1 3.96Å; I204-L231 HydrophobicContact CB-CD2 4.12Å; I204-L231 HydrophobicContact CD1-CD2 3.95Å; I204-L231 HydrophobicContact CG2-CD1 3.64Å; I204-L231 HydrophobicContact CG2-CD2 3.82Å; I204-L231 HydrophobicContact CG2-CG 4.41Å; I205-L231 HydrophobicContact CG1-CD1 3.79Å; P228-L231 HydrophobicContact CG-CG 4.32Å; P228-L231 WeakPolarHBondContact O-CB 3.26Å; P228-L231 PolarHBondContact O-N 3.46Å; E229-L231 PolarHBondContact O-N 3.35Å; L231-A235 WeakPolarHBondContact O-CB 3.24Å; L231-A235 PolarHBondContact O-N 3.04Å
232E98.9Very high98.6Very high8 Ų831.8 Ų31.84%0.03716%0.159CC..Hα-helixtrans-68.2-50.7168.5-172.3-167.1174.300109.1A199 E229 E234 A235 V236 M256 S257 A260 P305A199-E232 WeakPolarHBondContact O-CA 3.4Å; E229-E232 WeakPolarHBondContact O-CB 3.4Å; E229-E232 PolarHBondContact O-N 3Å; E229-E232 VanDerWaalsContact O-N 3.12Å; E232-E234 PolarHBondContact O-N 3.1Å; E232-A235 PolarHBondContact O-N 3.48Å; E232-V236 HydrophobicContact CG-CG2 4.45Å; E232-V236 WeakPolarHBondContact O-CG2 3.3Å; E232-V236 PolarHBondContact O-N 3.09Å; E232-M256 PolarHBondContact OE1-N 3.42Å; E232-S257 WeakPolarHBondContact OE2-CB 3.25Å; E232-S257 PolarHBondContact OE2-N 3.41Å; E232-S257 PolarHBondContact OE2-OG 3.27Å; E232-A260 VanDerWaalsContact CD-CB 3.48Å; E232-A260 HydrophobicContact CG-CB 3.77Å; E232-A260 WeakPolarHBondContact OE1-CB 3.31Å; E232-P305 HydrophobicContact CG-CB 4.42Å; E232-P305 HydrophobicContact CG-CG 4.19Å
233A98.8Very high98.6Very high10 Ų1032 Ų328%0.08316%0.161CC..Hα-helixtrans-57.5-47.5-178.900000112.9E229 A235 V236 F237 I263E229-A233 WeakPolarHBondContact O-CB 3.37Å; E229-A233 PolarHBondContact O-N 3.42Å; A233-A235 PolarHBondContact O-N 3.37Å; A233-V236 PolarHBondContact O-N 2.79Å; A233-F237 PolarHBondContact O-N 3.12Å; A233-I263 HydrophobicContact CB-CD1 3.69Å; A233-I263 WeakPolarHBondContact O-CD1 3.35Å
234E98.8Very high98.5Very high69 Ų6934.9 Ų34.932%0.32218%0.181SC..Hα-helixtrans-58.2-47.7176.8-175.3-78.7139.400111.7N201 E230 E232 F237 R238N201-E234 PolarHBondContact ND2-OE2 3.24Å; E230-E234 WeakPolarHBondContact O-CB 3.37Å; E230-E234 PolarHBondContact O-N 3.2Å; E232-E234 PolarHBondContact O-N 3.1Å; E234-F237 PolarHBondContact O-N 3.03Å; E234-R238 WeakPolarHBondContact O-CB 3.32Å; E234-R238 PolarHBondContact O-N 3.48Å; E234-R238 IonicContact OE1-CZ 2.79Å; E234-R238 IonicContact OE1-NE 3.4Å; E234-R238 PolarHBondContact OE1-NE 3.18Å; E234-R238 IonicContact OE1-NH2 2.69Å; E234-R238 IonicContact OE2-CZ 3.63Å; E234-R238 IonicContact OE2-NE 3.54Å; E234-R238 IonicContact OE2-NH2 3.62Å; E234-R238 PolarHBondContact OE2-NH2 3.26Å
235A98.9Very high98.4Very high0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-65.8-40.8-178.400000111.5M168 A199 E200 L231 E232 A233 F237 R238 A239M168-A235 HydrophobicContact CE-CB 3.81Å; M168-A235 WeakPolarHBondContact CE-O 3.36Å; M168-A235 HydrophobicContact SD-CB 4.03Å; A199-A235 VanDerWaalsContact C-CB 3.41Å; A199-A235 HydrophobicContact CB-CB 4.04Å; E200-A235 VanDerWaalsContact C-CB 3.49Å; L231-A235 WeakPolarHBondContact O-CB 3.24Å; L231-A235 PolarHBondContact O-N 3.04Å; E232-A235 PolarHBondContact O-N 3.48Å; A233-A235 PolarHBondContact O-N 3.37Å; A235-F237 PolarHBondContact O-N 3.12Å; A235-R238 PolarHBondContact O-N 3.43Å; A235-A239 WeakPolarHBondContact O-CB 3.14Å; A235-A239 PolarHBondContact O-N 2.84Å
236V98.9Very high98.3Very high0 Ų038.5 Ų38.50%020%0.197CC..Hα-helixtrans-60.3-45.9173.8171.20000111A199 E232 A233 R238 A239 V240 V252 A260 I263 I264A199-V236 HydrophobicContact CB-CG2 3.63Å; E232-V236 HydrophobicContact CG-CG2 4.45Å; E232-V236 WeakPolarHBondContact O-CG2 3.3Å; E232-V236 PolarHBondContact O-N 3.09Å; A233-V236 PolarHBondContact O-N 2.79Å; V236-R238 VanDerWaalsContact C-N 3.33Å; V236-R238 PolarHBondContact O-N 2.97Å; V236-A239 PolarHBondContact O-N 3.14Å; V236-V240 HydrophobicContact CG1-CG2 4.47Å; V236-V240 WeakPolarHBondContact O-CB 3.45Å; V236-V240 VanDerWaalsContact O-CG2 3.28Å; V236-V240 WeakPolarHBondContact O-CG2 3.5Å; V236-V240 PolarHBondContact O-N 2.98Å; V236-V252 HydrophobicContact CG1-CG2 4.33Å; V236-V252 HydrophobicContact CG2-CG1 3.77Å; V236-A260 HydrophobicContact CG2-CB 4.1Å; V236-I263 HydrophobicContact CG1-CB 4.21Å; V236-I263 HydrophobicContact CG1-CG2 3.83Å; V236-I264 HydrophobicContact CG1-CD1 4.37Å; V236-I264 HydrophobicContact CG1-CG1 3.83Å
237F98.9Very high98.2Very high115 Ų11540.5 Ų40.550%0.50421%0.207SC..Hα-helixtrans-59.3-44.5176.6175.7-98.1000112.1A233 E234 A235 T241 I263A233-F237 PolarHBondContact O-N 3.12Å; E234-F237 PolarHBondContact O-N 3.03Å; A235-F237 PolarHBondContact O-N 3.12Å; F237-T241 WeakPolarHBondContact O-CB 3.43Å; F237-T241 PolarHBondContact O-N 3.11Å; F237-T241 PolarHBondContact O-OG1 2.91Å; F237-I263 HydrophobicContact CB-CD1 4.17Å; F237-I263 HydrophobicContact CB-CG2 4.06Å; F237-I263 HydrophobicContact CD2-CG2 4.41Å
238R98.8Very high98.2Very high41 Ų4140.4 Ų40.416%0.15521%0.208CC..Hα-helixtrans-66.7-44.6178.8176.9155.849.690.95112M168 N178 E234 A235 V236 V240 T241 I242M168-R238 HydrophobicContact CE-CB 4.06Å; M168-R238 HydrophobicContact CE-CG 3.99Å; N178-R238 PolarHBondContact OD1-NH1 3.4Å; E234-R238 WeakPolarHBondContact O-CB 3.32Å; E234-R238 PolarHBondContact O-N 3.48Å; E234-R238 IonicContact OE1-CZ 2.79Å; E234-R238 IonicContact OE1-NE 3.4Å; E234-R238 PolarHBondContact OE1-NE 3.18Å; E234-R238 IonicContact OE1-NH2 2.69Å; E234-R238 IonicContact OE2-CZ 3.63Å; E234-R238 IonicContact OE2-NE 3.54Å; E234-R238 IonicContact OE2-NH2 3.62Å; E234-R238 PolarHBondContact OE2-NH2 3.26Å; A235-R238 PolarHBondContact O-N 3.43Å; V236-R238 VanDerWaalsContact C-N 3.33Å; V236-R238 PolarHBondContact O-N 2.97Å; R238-V240 PolarHBondContact O-N 2.94Å; R238-T241 WeakPolarHBondContact O-CB 3.47Å; R238-T241 PolarHBondContact O-N 2.78Å; R238-I242 HydrophobicContact CG-CD1 4.05Å; R238-I242 WeakPolarHBondContact O-CG1 3.36Å; R238-I242 PolarHBondContact O-N 3.48Å
239A98.9Very high98.3Very high0 Ų038 Ų380%019%0.192CC..Hα-helixtrans-59.8-46.717600000112M168 I197 A235 V236 T241 I242 A243 L250M168-A239 HydrophobicContact SD-CB 3.83Å; I197-A239 HydrophobicContact CG1-CB 4.09Å; I197-A239 HydrophobicContact CG2-CB 4.2Å; A235-A239 WeakPolarHBondContact O-CB 3.14Å; A235-A239 PolarHBondContact O-N 2.84Å; V236-A239 PolarHBondContact O-N 3.14Å; A239-T241 VanDerWaalsContact C-N 3.27Å; A239-T241 PolarHBondContact O-N 3.23Å; A239-I242 PolarHBondContact O-N 3.15Å; A239-A243 WeakPolarHBondContact O-CB 3.39Å; A239-A243 PolarHBondContact O-N 3.19Å; A239-L250 HydrophobicContact CB-CD2 3.93Å
240V98.9Very high98.3Very high13 Ų1335.2 Ų35.28%0.07918%0.179CC..Hα-helixtrans-57-42.9175165.80000111V236 R238 S244 L250 A267 V274V236-V240 HydrophobicContact CG1-CG2 4.47Å; V236-V240 WeakPolarHBondContact O-CB 3.45Å; V236-V240 VanDerWaalsContact O-CG2 3.28Å; V236-V240 WeakPolarHBondContact O-CG2 3.5Å; V236-V240 PolarHBondContact O-N 2.98Å; R238-V240 PolarHBondContact O-N 2.94Å; V240-S244 VanDerWaalsContact O-CB 3.3Å; V240-S244 WeakPolarHBondContact O-CB 3.46Å; V240-S244 PolarHBondContact O-N 3.21Å; V240-L250 HydrophobicContact CB-CD2 4.42Å; V240-L250 HydrophobicContact CG2-CD2 3.85Å; V240-A267 HydrophobicContact CG1-CB 3.61Å; V240-A267 HydrophobicContact CG2-CB 4.26Å; V240-V274 HydrophobicContact CG2-CG2 4.18Å
241T98.8Very high98.3Very high59 Ų5929.5 Ų29.536%0.36215%0.152SC..Hα-helixtrans-62.9-48.3179.7-60.40000111.1F237 R238 A239 S244 Q245F237-T241 WeakPolarHBondContact O-CB 3.43Å; F237-T241 PolarHBondContact O-N 3.11Å; F237-T241 PolarHBondContact O-OG1 2.91Å; R238-T241 WeakPolarHBondContact O-CB 3.47Å; R238-T241 PolarHBondContact O-N 2.78Å; A239-T241 VanDerWaalsContact C-N 3.27Å; A239-T241 PolarHBondContact O-N 3.23Å; T241-S244 WeakPolarHBondContact O-CB 3.46Å; T241-S244 PolarHBondContact O-N 3.24Å; T241-Q245 WeakPolarHBondContact O-CG 3.19Å; T241-Q245 PolarHBondContact O-N 2.8Å; T241-Q245 VanDerWaalsContact O-N 3.16Å
242I98.8Very high98.3Very high20 Ų2028.7 Ų28.710%0.10315%0.148CC..Hα-helixtrans-63.8-48.7179.3-62167.7000110.6N178 L181 Y182 F185 R238 A239 S244 Q245 T246N178-I242 HydrophobicContact CB-CD1 4.22Å; L181-I242 HydrophobicContact CB-CD1 4.21Å; L181-I242 HydrophobicContact CB-CG2 4.41Å; L181-I242 HydrophobicContact CD1-CD1 4.06Å; Y182-I242 HydrophobicContact CD2-CG2 4.33Å; F185-I242 HydrophobicContact CD2-CB 4.32Å; F185-I242 HydrophobicContact CD2-CG2 3.76Å; F185-I242 HydrophobicContact CE2-CB 4.32Å; F185-I242 HydrophobicContact CE2-CG2 4.13Å; R238-I242 HydrophobicContact CG-CD1 4.05Å; R238-I242 WeakPolarHBondContact O-CG1 3.36Å; R238-I242 PolarHBondContact O-N 3.48Å; A239-I242 PolarHBondContact O-N 3.15Å; I242-S244 PolarHBondContact O-N 3.41Å; I242-Q245 WeakPolarHBondContact O-CB 3.49Å; I242-Q245 PolarHBondContact O-N 3.17Å; I242-T246 PolarHBondContact O-N 2.83Å; I242-T246 VanDerWaalsContact O-N 3.1Å; I242-T246 PolarHBondContact O-OG1 3.41Å
243A98.6Very high98.3Very high5 Ų528.4 Ų28.44%0.04115%0.147CC..Hα-helixtrans-59.9-34.4178.200000112.6F185 A239 T246 N247 C248 L250F185-A243 HydrophobicContact CD2-CB 3.93Å; F185-A243 HydrophobicContact CE2-CB 4.06Å; A239-A243 WeakPolarHBondContact O-CB 3.39Å; A239-A243 PolarHBondContact O-N 3.19Å; A243-T246 PolarHBondContact O-N 3.37Å; A243-T246 PolarHBondContact O-OG1 2.96Å; A243-N247 WeakPolarHBondContact O-CA 3.19Å; A243-N247 PolarHBondContact O-N 3.24Å; A243-C248 PolarHBondContact O-N 2.85Å; A243-L250 HydrophobicContact CB-CB 3.79Å; A243-L250 HydrophobicContact CB-CD1 4.24Å; A243-L250 HydrophobicContact CB-CD2 4.09Å; A243-L250 HydrophobicContact CB-CG 4.28Å
244S96.6Very high98.3Very high59 Ų5928.9 Ų28.941%0.41315%0.147SC..Hα-helixtrans-65.5-37.9173.3-166.70000112.9V240 T241 I242 T246 N272V240-S244 VanDerWaalsContact O-CB 3.3Å; V240-S244 WeakPolarHBondContact O-CB 3.46Å; V240-S244 PolarHBondContact O-N 3.21Å; T241-S244 WeakPolarHBondContact O-CB 3.46Å; T241-S244 PolarHBondContact O-N 3.24Å; I242-S244 PolarHBondContact O-N 3.41Å; S244-T246 VanDerWaalsContact C-N 3.34Å; S244-N272 VanDerWaalsContact CB-ND2 3.26Å; S244-N272 WeakPolarHBondContact CB-ND2 3.34Å; S244-N272 PolarHBondContact OG-ND2 3.15Å
245Q96.2Very high98.3Very high138 Ų13825.6 Ų25.665%0.64513%0.131SC*.Hα-helixtrans-70.2-33.6178.3-65.7-52.6-50.400111.9Y182 T241 I242Y182-Q245 HydrophobicContact CE2-CB 4.18Å; T241-Q245 WeakPolarHBondContact O-CG 3.19Å; T241-Q245 PolarHBondContact O-N 2.8Å; T241-Q245 VanDerWaalsContact O-N 3.16Å; I242-Q245 WeakPolarHBondContact O-CB 3.49Å; I242-Q245 PolarHBondContact O-N 3.17Å
246T96.7Very high98.3Very high17 Ų1725.7 Ų25.710%0.10413%0.132CC..Hα-helixtrans-90.1-4.218060.10000113.3Y182 F185 T186 I242 A243 S244 C248Y182-T246 HydrophobicContact CD1-CG2 4.41Å; Y182-T246 HydrophobicContact CD2-CG2 3.52Å; Y182-T246 HydrophobicContact CE1-CG2 4.43Å; Y182-T246 HydrophobicContact CE2-CG2 3.55Å; Y182-T246 HydrophobicContact CG-CG2 3.97Å; F185-T246 HydrophobicContact CB-CG2 4.16Å; F185-T246 WeakPolarHBondContact CB-OG1 3.42Å; T186-T246 VanDerWaalsContact OG1-CG2 3.24Å; T186-T246 WeakPolarHBondContact OG1-CG2 2.79Å; I242-T246 PolarHBondContact O-N 2.83Å; I242-T246 VanDerWaalsContact O-N 3.1Å; I242-T246 PolarHBondContact O-OG1 3.41Å; A243-T246 PolarHBondContact O-N 3.37Å; A243-T246 PolarHBondContact O-OG1 2.96Å; S244-T246 VanDerWaalsContact C-N 3.34Å; T246-C248 PolarHBondContact O-N 2.7Å; T246-C248 WeakPolarHBondContact OG1-CB 3.47Å
247N96.2Very high98.3Very high42 Ų4225.8 Ų25.823%0.22513%0.132CC..THydrogen-bonded Turntrans52.237.7-173.6-165.944.2000112A243 I482A243-N247 WeakPolarHBondContact O-CA 3.19Å; A243-N247 PolarHBondContact O-N 3.24Å; N247-I482 PolarHBondContact ND2-O 3.06Å; N247-I482 WeakPolarHBondContact O-CD1 3.49Å; N247-I482 WeakPolarHBondContact O-CG2 3.33Å; N247-I482 WeakPolarHBondContact OD1-CD1 3.49Å
248C98.3Very high98.3Very high4 Ų422.2 Ų22.23%0.02712%0.117CC..  trans-94.7134.9177.2-167.80000110.4F185 A189 A243 T246 L250F185-C248 HydrophobicContact CB-CB 3.87Å; F185-C248 WeakPolarHBondContact O-CB 3.44Å; F185-C248 PolarHBondContact O-SG 2.88Å; A189-C248 HydrophobicContact CB-CB 3.9Å; A243-C248 PolarHBondContact O-N 2.85Å; T246-C248 PolarHBondContact O-N 2.7Å; T246-C248 WeakPolarHBondContact OG1-CB 3.47Å; C248-L250 PolarHBondContact O-N 2.99Å
249P98.4Very high98.3Very high0 Ų021.6 Ų21.60%012%0.119CC..  trans-61.5126167-19.331.2000111.2A195 V273 A478 Y479 I482A195-P249 PolarHBondContact N-O 2.78Å; P249-V273 HydrophobicContact CB-CG1 3.94Å; P249-V273 HydrophobicContact CG-CG1 4.42Å; P249-A478 HydrophobicContact CB-CB 3.94Å; P249-A478 HydrophobicContact CG-CB 3.98Å; P249-Y479 HydrophobicContact CG-CD2 4.21Å; P249-Y479 HydrophobicContact CG-CE1 4.31Å; P249-Y479 HydrophobicContact CG-CE2 3.77Å; P249-I482 HydrophobicContact CG-CD1 4.46Å; P249-I482 HydrophobicContact CG-CG1 3.88Å
250L98.8Very high98.3Very high1 Ų121.6 Ų21.61%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-104.8139178.1-172.167.3000111.1F185 A195 I197 A239 V240 A243 C248 V252 V273 V274 F275F185-L250 HydrophobicContact CE2-CD1 4.09Å; F185-L250 HydrophobicContact CZ-CD1 3.87Å; A195-L250 HydrophobicContact CB-CD1 4.49Å; A195-L250 CarbonylContact O-C 3.58Å; I197-L250 HydrophobicContact CB-CD1 4.14Å; I197-L250 HydrophobicContact CG2-CD1 3.74Å; I197-L250 HydrophobicContact CG2-CD2 4.42Å; I197-L250 HydrophobicContact CG2-CG 4.18Å; A239-L250 HydrophobicContact CB-CD2 3.93Å; V240-L250 HydrophobicContact CB-CD2 4.42Å; V240-L250 HydrophobicContact CG2-CD2 3.85Å; A243-L250 HydrophobicContact CB-CB 3.79Å; A243-L250 HydrophobicContact CB-CD1 4.24Å; A243-L250 HydrophobicContact CB-CD2 4.09Å; A243-L250 HydrophobicContact CB-CG 4.28Å; C248-L250 PolarHBondContact O-N 2.99Å; L250-V252 HydrophobicContact CD2-CG2 4.22Å; L250-V252 HydrophobicContact CG-CG2 4.41Å; L250-V273 PolarHBondContact N-O 2.8Å; L250-V274 HydrophobicContact CB-CB 4.45Å; L250-V274 HydrophobicContact CB-CG2 4.16Å; L250-V274 HydrophobicContact CD2-CG2 4.15Å; L250-V274 HydrophobicContact CG-CG2 4.32Å; L250-V274 CarbonylContact O-C 3.45Å; L250-V274 VanDerWaalsContact O-CA 3.26Å; L250-V274 WeakPolarHBondContact O-CA 3.07Å; L250-F275 PolarHBondContact O-N 3.06Å
251Y98.9Very high98.3Very high0 Ų021 Ų210%012%0.115CC..EExtended strand (participates in β ladder)trans-123.2113171.9-173.6-65.6000108.2I72 A195 Q196 I197 T253 F275 E277 V328 I391I72-Y251 HydrophobicContact CD1-CE2 4.31Å; I72-Y251 VanDerWaalsContact CG2-OH 3.23Å; I72-Y251 WeakPolarHBondContact CG2-OH 3.47Å; A195-Y251 PolarHBondContact O-N 2.8Å; Q196-Y251 CarbonylContact C-O 3.57Å; Q196-Y251 VanDerWaalsContact CA-O 3.24Å; Q196-Y251 WeakPolarHBondContact CA-O 3.38Å; Q196-Y251 HydrophobicContact CG-CD1 3.8Å; Q196-Y251 HydrophobicContact CG-CG 3.93Å; I197-Y251 PolarHBondContact N-O 3.25Å; Y251-T253 HydrophobicContact CD1-CG2 3.61Å; Y251-T253 HydrophobicContact CE1-CG2 3.64Å; Y251-F275 HydrophobicContact CD2-CB 3.99Å; Y251-F275 HydrophobicContact CG-CB 4.45Å; Y251-E277 HydrophobicContact CE1-CB 3.44Å; Y251-E277 VanDerWaalsContact CE1-CB 3.44Å; Y251-E277 HydrophobicContact CE1-CG 4.13Å; Y251-E277 VanDerWaalsContact OH-CB 3.28Å; Y251-E277 WeakPolarHBondContact OH-CB 3.48Å; Y251-E277 VanDerWaalsContact OH-CG 3.27Å; Y251-E277 WeakPolarHBondContact OH-CG 3.14Å; Y251-E277 PolarHBondContact OH-OE1 3.14Å; Y251-V328 HydrophobicContact CE2-CG1 3.72Å; Y251-V328 WeakPolarHBondContact OH-CG1 3.14Å; Y251-I391 HydrophobicContact CD2-CD1 4.27Å; Y251-I391 HydrophobicContact CD2-CG2 4.17Å; Y251-I391 HydrophobicContact CE2-CD1 3.9Å; Y251-I391 HydrophobicContact CE2-CG2 4.16Å
252V98.9Very high98.3Very high1 Ų120.9 Ų20.91%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-87.7111.1176.2-175.40000108.2I197 V236 L250 V255 I264 V274 F275 E277I197-V252 HydrophobicContact CG2-CB 4.3Å; I197-V252 HydrophobicContact CG2-CG1 4.45Å; I197-V252 HydrophobicContact CG2-CG2 3.98Å; V236-V252 HydrophobicContact CG1-CG2 4.33Å; V236-V252 HydrophobicContact CG2-CG1 3.77Å; L250-V252 HydrophobicContact CD2-CG2 4.22Å; L250-V252 HydrophobicContact CG-CG2 4.41Å; V252-V255 HydrophobicContact CB-CG2 4.35Å; V252-V255 HydrophobicContact CG1-CG2 3.98Å; V252-I264 HydrophobicContact CB-CD1 3.87Å; V252-I264 HydrophobicContact CG1-CD1 4.05Å; V252-I264 HydrophobicContact CG2-CD1 4.06Å; V252-I264 HydrophobicContact CG2-CG1 4.24Å; V252-V274 HydrophobicContact CG2-CG2 4.02Å; V252-F275 PolarHBondContact N-O 3.39Å; V252-E277 PolarHBondContact O-N 3.4Å
253T98.5Very high98.3Very high2 Ų221.3 Ų21.31%0.01212%0.115CC..EExtended strand (participates in β ladder)trans-82153.3178.762.50000110.6Q165 Q196 I197 Y251 V255 E277Q165-T253 PolarHBondContact OE1-OG1 2.98Å; Q196-T253 HydrophobicContact CB-CG2 3.95Å; Q196-T253 HydrophobicContact CG-CG2 3.97Å; I197-T253 PolarHBondContact O-N 3.23Å; I197-T253 VanDerWaalsContact O-N 3.14Å; I197-T253 PolarHBondContact O-OG1 3.1Å; Y251-T253 HydrophobicContact CD1-CG2 3.61Å; Y251-T253 HydrophobicContact CE1-CG2 3.64Å; T253-V255 PolarHBondContact O-N 2.79Å; T253-E277 WeakPolarHBondContact CA-OE2 3.41Å; T253-E277 WeakPolarHBondContact CB-OE2 3.47Å
254R98.4Very high98.3Very high20 Ų2021.1 Ų21.18%0.07511%0.113CC..EExtended strand (participates in β ladder)trans47.363175.2-62.5175.2-78.8-174.6-17.8113.3H198 M256 E277 I279 S304 A332H198-R254 VanDerWaalsContact ND1-CZ 3.29Å; H198-R254 PolarHBondContact ND1-NH2 3.43Å; R254-M256 HydrophobicContact CB-SD 4.44Å; R254-M256 WeakPolarHBondContact O-CG 3.44Å; R254-M256 PolarHBondContact O-N 2.95Å; R254-E277 CarbonylContact C-O 3.55Å; R254-E277 WeakPolarHBondContact CA-O 3.14Å; R254-E277 PolarHBondContact N-O 3.32Å; R254-E277 PolarHBondContact N-OE2 2.98Å; R254-I279 HydrophobicContact CG-CD1 4.37Å; R254-I279 HydrophobicContact CG-CG2 4.02Å; R254-S304 WeakPolarHBondContact CD-O 3.46Å; R254-S304 PolarHBondContact NH1-O 2.74Å; R254-A332 HydrophobicContact CG-CB 3.87Å
255V98.8Very high98.4Very high0 Ų018.5 Ų18.50%010%0.095CC..EExtended strand (participates in β ladder)trans-72.5112171.2-177.20000108.7V252 T253 A260 A261 I264 E277 S282 L317 L326V252-V255 HydrophobicContact CB-CG2 4.35Å; V252-V255 HydrophobicContact CG1-CG2 3.98Å; T253-V255 PolarHBondContact O-N 2.79Å; V255-A260 HydrophobicContact CG1-CB 4.38Å; V255-A261 HydrophobicContact CG1-CB 3.93Å; V255-I264 HydrophobicContact CG1-CD1 4.36Å; V255-I264 HydrophobicContact CG2-CD1 3.57Å; V255-E277 PolarHBondContact N-O 2.9Å; V255-S282 PolarHBondContact O-OG 3.27Å; V255-L317 HydrophobicContact CG1-CD2 4.3Å; V255-L326 HydrophobicContact CB-CD2 4.47Å; V255-L326 HydrophobicContact CG1-CD2 4.22Å; V255-L326 HydrophobicContact CG2-CD2 4.27Å
256M98.6Very high98.5Very high2 Ų216.9 Ų16.91%0.019%0.087CC..  trans-112-16.1-171.3-57.1-59.1-74.100113.8E232 R254 I279 T303 P305 P306 L307 T313E232-M256 PolarHBondContact OE1-N 3.42Å; R254-M256 HydrophobicContact CB-SD 4.44Å; R254-M256 WeakPolarHBondContact O-CG 3.44Å; R254-M256 PolarHBondContact O-N 2.95Å; M256-I279 HydrophobicContact CE-CD1 4.1Å; M256-I279 HydrophobicContact CE-CG1 4.42Å; M256-I279 HydrophobicContact SD-CD1 3.65Å; M256-I279 HydrophobicContact SD-CG1 3.66Å; M256-T303 HydrophobicContact CE-CG2 4.05Å; M256-P305 HydrophobicContact CB-CB 4.06Å; M256-P305 HydrophobicContact CG-CB 3.72Å; M256-P305 HydrophobicContact CG-CG 3.97Å; M256-P305 WeakPolarHBondContact CG-O 3.48Å; M256-P306 WeakPolarHBondContact CB-O 3.21Å; M256-L307 HydrophobicContact CE-CB 4.49Å; M256-L307 HydrophobicContact CE-CD2 3.53Å; M256-L307 HydrophobicContact CE-CG 3.82Å; M256-T313 WeakPolarHBondContact O-CG2 3.41Å
257S98.7Very high98.6Very high2 Ų216.3 Ų16.31%0.0148%0.084CC..SBendtrans-125.4159.3-176.666.30000114.5E229 E232 S259 A260 A261E229-S257 VanDerWaalsContact CB-CB 3.44Å; E232-S257 WeakPolarHBondContact OE2-CB 3.25Å; E232-S257 PolarHBondContact OE2-N 3.41Å; E232-S257 PolarHBondContact OE2-OG 3.27Å; S257-S259 PolarHBondContact OG-OG 2.89Å; S257-A260 VanDerWaalsContact OG-CB 3.27Å; S257-A260 WeakPolarHBondContact OG-CB 3.44Å; S257-A260 PolarHBondContact OG-N 2.65Å; S257-A261 WeakPolarHBondContact O-CB 3.49Å; S257-A261 PolarHBondContact O-N 3.1Å
258K98.9Very high98.7Very high40 Ų4017.6 Ų17.617%0.1749%0.086CC..Hα-helixtrans-66.3-42.9176.4-56.8-177.1179.8167.10111.9A261 D262 D310 T312 T313 Y316K258-A261 PolarHBondContact O-N 3.07Å; K258-D262 PolarHBondContact O-N 3.04Å; K258-D310 WeakPolarHBondContact CE-OD2 3.43Å; K258-D310 IonicContact NZ-OD1 2.71Å; K258-D310 IonicContact NZ-OD2 3.17Å; K258-D310 PolarHBondContact NZ-OD2 2.77Å; K258-T312 PolarHBondContact NZ-OG1 3.04Å; K258-T313 HydrophobicContact CG-CG2 4.15Å; K258-Y316 HydrophobicContact CB-CD1 3.65Å; K258-Y316 HydrophobicContact CB-CE1 3.8Å; K258-Y316 HydrophobicContact CB-CG 4.45Å; K258-Y316 HydrophobicContact CD-CD1 4Å; K258-Y316 HydrophobicContact CD-CG 3.99Å; K258-Y316 HydrophobicContact CG-CD1 3.5Å; K258-Y316 VanDerWaalsContact CG-CD1 3.5Å; K258-Y316 HydrophobicContact CG-CE1 4.16Å; K258-Y316 HydrophobicContact CG-CG 3.91Å
259S98.7Very high98.7Very high29 Ų2924.9 Ų24.920%0.20312%0.117CC..Hα-helixtrans-64.5-41.3-177.646.60000112E229 S257 D262 I263E229-S259 WeakPolarHBondContact OE1-CB 3.4Å; E229-S259 PolarHBondContact OE1-OG 2.89Å; S257-S259 PolarHBondContact OG-OG 2.89Å; S259-D262 PolarHBondContact O-N 3.18Å; S259-I263 WeakPolarHBondContact O-CD1 3.35Å; S259-I263 WeakPolarHBondContact O-CG1 3.44Å; S259-I263 PolarHBondContact O-N 2.9Å
260A98.8Very high98.6Very high0 Ų032.3 Ų32.30%015%0.149CC..Hα-helixtrans-62.4-45.5170.900000112.1E232 V236 V255 S257 D262 I263 I264E232-A260 VanDerWaalsContact CD-CB 3.48Å; E232-A260 HydrophobicContact CG-CB 3.77Å; E232-A260 WeakPolarHBondContact OE1-CB 3.31Å; V236-A260 HydrophobicContact CG2-CB 4.1Å; V255-A260 HydrophobicContact CG1-CB 4.38Å; S257-A260 VanDerWaalsContact OG-CB 3.27Å; S257-A260 WeakPolarHBondContact OG-CB 3.44Å; S257-A260 PolarHBondContact OG-N 2.65Å; A260-D262 VanDerWaalsContact C-N 3.35Å; A260-D262 PolarHBondContact O-N 3.39Å; A260-I263 PolarHBondContact O-N 2.73Å; A260-I264 WeakPolarHBondContact O-CG1 3.41Å; A260-I264 PolarHBondContact O-N 2.87Å; A260-I264 VanDerWaalsContact O-N 3.13Å
261A98.9Very high98.5Very high0 Ų033.4 Ų33.40%016%0.161CC..Hα-helixtrans-62.5-38.3178.500000112.9V255 S257 K258 I263 I264 S265 L317 L320 L326V255-A261 HydrophobicContact CG1-CB 3.93Å; S257-A261 WeakPolarHBondContact O-CB 3.49Å; S257-A261 PolarHBondContact O-N 3.1Å; K258-A261 PolarHBondContact O-N 3.07Å; A261-I263 VanDerWaalsContact C-N 3.34Å; A261-I263 PolarHBondContact O-N 3.49Å; A261-I264 PolarHBondContact O-N 2.98Å; A261-S265 PolarHBondContact O-N 3.4Å; A261-L317 HydrophobicContact CB-CD2 3.61Å; A261-L320 HydrophobicContact CB-CD2 3.46Å; A261-L320 VanDerWaalsContact CB-CD2 3.46Å; A261-L326 HydrophobicContact CB-CD1 4.32Å; A261-L326 HydrophobicContact CB-CD2 4.35Å
262D98.9Very high98.5Very high56 Ų5634.6 Ų34.630%0.29917%0.167SC..Hα-helixtrans-63.3-39.2175.1-77.7-17.7000112.5K258 S259 A260 I264 S265 Q266 Y316K258-D262 PolarHBondContact O-N 3.04Å; S259-D262 PolarHBondContact O-N 3.18Å; A260-D262 VanDerWaalsContact C-N 3.35Å; A260-D262 PolarHBondContact O-N 3.39Å; D262-I264 VanDerWaalsContact C-N 3.34Å; D262-S265 PolarHBondContact O-N 3.49Å; D262-Q266 WeakPolarHBondContact O-CB 3.27Å; D262-Q266 WeakPolarHBondContact O-CG 3.47Å; D262-Q266 PolarHBondContact O-N 3.03Å; D262-Y316 PolarHBondContact OD1-OH 3.08Å
263I98.9Very high98.5Very high30 Ų3035 Ų3515%0.15417%0.169CC..Hα-helixtrans-64.8-42176.7-69.1163000110.4A233 V236 F237 S259 A260 A261 Q266 A267A233-I263 HydrophobicContact CB-CD1 3.69Å; A233-I263 WeakPolarHBondContact O-CD1 3.35Å; V236-I263 HydrophobicContact CG1-CB 4.21Å; V236-I263 HydrophobicContact CG1-CG2 3.83Å; F237-I263 HydrophobicContact CB-CD1 4.17Å; F237-I263 HydrophobicContact CB-CG2 4.06Å; F237-I263 HydrophobicContact CD2-CG2 4.41Å; S259-I263 WeakPolarHBondContact O-CD1 3.35Å; S259-I263 WeakPolarHBondContact O-CG1 3.44Å; S259-I263 PolarHBondContact O-N 2.9Å; A260-I263 PolarHBondContact O-N 2.73Å; A261-I263 VanDerWaalsContact C-N 3.34Å; A261-I263 PolarHBondContact O-N 3.49Å; I263-Q266 PolarHBondContact O-N 2.92Å; I263-A267 VanDerWaalsContact O-CB 3.28Å; I263-A267 WeakPolarHBondContact O-CB 3.3Å; I263-A267 PolarHBondContact O-N 2.92Å
264I98.9Very high98.5Very high0 Ų035 Ų350%017%0.169CC..Hα-helixtrans-61.3-47.8174.6-64.7167.4000110.1V236 V252 V255 A260 A261 D262 Q266 A267 R268 V274 L326V236-I264 HydrophobicContact CG1-CD1 4.37Å; V236-I264 HydrophobicContact CG1-CG1 3.83Å; V252-I264 HydrophobicContact CB-CD1 3.87Å; V252-I264 HydrophobicContact CG1-CD1 4.05Å; V252-I264 HydrophobicContact CG2-CD1 4.06Å; V252-I264 HydrophobicContact CG2-CG1 4.24Å; V255-I264 HydrophobicContact CG1-CD1 4.36Å; V255-I264 HydrophobicContact CG2-CD1 3.57Å; A260-I264 WeakPolarHBondContact O-CG1 3.41Å; A260-I264 PolarHBondContact O-N 2.87Å; A260-I264 VanDerWaalsContact O-N 3.13Å; A261-I264 PolarHBondContact O-N 2.98Å; D262-I264 VanDerWaalsContact C-N 3.34Å; I264-Q266 PolarHBondContact O-N 3.29Å; I264-A267 PolarHBondContact O-N 3.25Å; I264-R268 HydrophobicContact CG2-CG 4.44Å; I264-R268 VanDerWaalsContact O-CG 3.29Å; I264-R268 WeakPolarHBondContact O-CG 3.12Å; I264-R268 PolarHBondContact O-N 2.94Å; I264-V274 HydrophobicContact CG2-CG1 4.3Å; I264-V274 HydrophobicContact CG2-CG2 4.48Å; I264-L326 HydrophobicContact CD1-CD2 4.23Å; I264-L326 HydrophobicContact CG2-CD2 4.48Å
265S98.8Very high98.5Very high5 Ų534.1 Ų34.14%0.03517%0.166CC..Hα-helixtrans-56.1-48.6176178.70000111.5A261 D262 A267 R268 K269 D325A261-S265 PolarHBondContact O-N 3.4Å; D262-S265 PolarHBondContact O-N 3.49Å; S265-A267 PolarHBondContact O-N 3.47Å; S265-R268 PolarHBondContact O-N 3.36Å; S265-K269 WeakPolarHBondContact O-CG 3.41Å; S265-K269 PolarHBondContact O-N 2.9Å; S265-K269 WeakPolarHBondContact OG-CE 3.2Å; S265-K269 PolarHBondContact OG-NZ 3.28Å; S265-D325 VanDerWaalsContact CB-OD1 3.25Å; S265-D325 WeakPolarHBondContact CB-OD1 3.39Å; S265-D325 VanDerWaalsContact OG-CG 3.24Å; S265-D325 PolarHBondContact OG-OD1 3.21Å
266Q98.8Very high98.5Very high104 Ų10434.1 Ų34.149%0.48617%0.166SC..Hα-helixtrans-63.1-41.9179.1-72.1174.641.900112.3D262 I263 I264 K269 K270D262-Q266 WeakPolarHBondContact O-CB 3.27Å; D262-Q266 WeakPolarHBondContact O-CG 3.47Å; D262-Q266 PolarHBondContact O-N 3.03Å; I263-Q266 PolarHBondContact O-N 2.92Å; I264-Q266 PolarHBondContact O-N 3.29Å; Q266-K269 PolarHBondContact O-N 3.29Å; Q266-K270 WeakPolarHBondContact O-CG 3.38Å; Q266-K270 PolarHBondContact O-N 2.61Å
267A98.6Very high98.5Very high5 Ų534 Ų344%0.04117%0.166CC..Hα-helixtrans-62.8-44.8176.700000111.2V240 I263 I264 S265 K269 K270 G271 N272 V274V240-A267 HydrophobicContact CG1-CB 3.61Å; V240-A267 HydrophobicContact CG2-CB 4.26Å; I263-A267 VanDerWaalsContact O-CB 3.28Å; I263-A267 WeakPolarHBondContact O-CB 3.3Å; I263-A267 PolarHBondContact O-N 2.92Å; I264-A267 PolarHBondContact O-N 3.25Å; S265-A267 PolarHBondContact O-N 3.47Å; A267-K269 VanDerWaalsContact C-N 3.34Å; A267-K269 PolarHBondContact O-N 2.76Å; A267-K270 WeakPolarHBondContact O-CB 3.49Å; A267-K270 PolarHBondContact O-N 2.89Å; A267-G271 PolarHBondContact O-N 3.04Å; A267-N272 HydrophobicContact CB-CB 4.08Å; A267-N272 VanDerWaalsContact O-CB 3.31Å; A267-N272 WeakPolarHBondContact O-CB 3.42Å; A267-N272 PolarHBondContact O-N 3.25Å; A267-N272 PolarHBondContact O-OD1 3.11Å; A267-V274 HydrophobicContact CB-CG1 3.83Å
268R98.4Very high98.5Very high68 Ų6833.9 Ų33.926%0.25717%0.165SC..Hα-helixtrans-61.1-42.1175.6-69.81726382.1-9.1111.9I264 S265 K270 G271 V274 G324 D325 S327I264-R268 HydrophobicContact CG2-CG 4.44Å; I264-R268 VanDerWaalsContact O-CG 3.29Å; I264-R268 WeakPolarHBondContact O-CG 3.12Å; I264-R268 PolarHBondContact O-N 2.94Å; S265-R268 PolarHBondContact O-N 3.36Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 3.16Å; R268-G271 VanDerWaalsContact O-CA 3.29Å; R268-G271 WeakPolarHBondContact O-CA 3.13Å; R268-G271 PolarHBondContact O-N 3.05Å; R268-V274 HydrophobicContact CG-CG1 3.55Å; R268-V274 PolarHBondContact NH1-O 3.31Å; R268-G324 PolarHBondContact NE-O 3.3Å; R268-G324 PolarHBondContact NH2-O 3.46Å; R268-D325 WeakPolarHBondContact CD-O 3.33Å; R268-D325 PolarHBondContact NE-O 2.75Å; R268-S327 PolarHBondContact NH1-OG 3.12Å
269K98.1Very high98.5Very high158 Ų15832 Ų3269%0.68716%0.157SC*.Hα-helixtrans-61.8-35.2175-74.5166.6179.21550112.9S265 Q266 A267 G271S265-K269 WeakPolarHBondContact O-CG 3.41Å; S265-K269 PolarHBondContact O-N 2.9Å; S265-K269 WeakPolarHBondContact OG-CE 3.2Å; S265-K269 PolarHBondContact OG-NZ 3.28Å; Q266-K269 PolarHBondContact O-N 3.29Å; A267-K269 VanDerWaalsContact C-N 3.34Å; A267-K269 PolarHBondContact O-N 2.76Å; K269-G271 PolarHBondContact O-N 2.68Å
270K97.4Very high98.5Very high156 Ų15630.6 Ų30.668%0.67815%0.147SC*.THydrogen-bonded Turntrans-72.3-6.1170.8-69.7171.7-176.1173.50113.3Q266 A267 R268Q266-K270 WeakPolarHBondContact O-CG 3.38Å; Q266-K270 PolarHBondContact O-N 2.61Å; A267-K270 WeakPolarHBondContact O-CB 3.49Å; A267-K270 PolarHBondContact O-N 2.89Å; R268-K270 VanDerWaalsContact C-N 3.32Å; R268-K270 PolarHBondContact O-N 3.16Å
271G96.6Very high98.5Very high24 Ų2430.6 Ų30.625%0.24715%0.147CC..THydrogen-bonded Turntrans88.78.5-178.400000113.6A267 R268 K269 R485A267-G271 PolarHBondContact O-N 3.04Å; R268-G271 VanDerWaalsContact O-CA 3.29Å; R268-G271 WeakPolarHBondContact O-CA 3.13Å; R268-G271 PolarHBondContact O-N 3.05Å; K269-G271 PolarHBondContact O-N 2.68Å; G271-R485 PolarHBondContact O-NH1 2.72Å; G271-R485 PolarHBondContact O-NH2 3.33Å
272N97.8Very high98.5Very high24 Ų2430.7 Ų30.713%0.12815%0.148CC..  trans-58.2144.6173.9-67.180.9000111.1S244 A267 V274S244-N272 VanDerWaalsContact CB-ND2 3.26Å; S244-N272 WeakPolarHBondContact CB-ND2 3.34Å; S244-N272 PolarHBondContact OG-ND2 3.15Å; A267-N272 HydrophobicContact CB-CB 4.08Å; A267-N272 VanDerWaalsContact O-CB 3.31Å; A267-N272 WeakPolarHBondContact O-CB 3.42Å; A267-N272 PolarHBondContact O-N 3.25Å; A267-N272 PolarHBondContact O-OD1 3.11Å; N272-V274 VanDerWaalsContact C-N 3.3Å; N272-V274 HydrophobicContact CB-CG1 4.37Å; N272-V274 PolarHBondContact O-N 2.67Å; N272-V274 VanDerWaalsContact O-N 3.13Å
273V98.2Very high98.5Very high9 Ų928.1 Ų28.16%0.05513%0.134CC..  trans-85.782.3172.5-174.80000107.3P249 L250 F275 R481 I482P249-V273 HydrophobicContact CB-CG1 3.94Å; P249-V273 HydrophobicContact CG-CG1 4.42Å; L250-V273 PolarHBondContact N-O 2.8Å; V273-F275 HydrophobicContact CG1-CE2 4.14Å; V273-F275 HydrophobicContact CG1-CZ 4.31Å; V273-R481 HydrophobicContact CG2-CB 4.25Å; V273-I482 HydrophobicContact CB-CD1 3.95Å; V273-I482 HydrophobicContact CG1-CD1 4.48Å; V273-I482 HydrophobicContact CG2-CD1 3.52Å; V273-I482 HydrophobicContact CG2-CG1 4.16Å
274V98.5Very high98.4Very high2 Ų227.1 Ų27.11%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-128.2137.7177.464.60000110.7V240 L250 V252 I264 A267 R268 N272V240-V274 HydrophobicContact CG2-CG2 4.18Å; L250-V274 HydrophobicContact CB-CB 4.45Å; L250-V274 HydrophobicContact CB-CG2 4.16Å; L250-V274 HydrophobicContact CD2-CG2 4.15Å; L250-V274 HydrophobicContact CG-CG2 4.32Å; L250-V274 CarbonylContact O-C 3.45Å; L250-V274 VanDerWaalsContact O-CA 3.26Å; L250-V274 WeakPolarHBondContact O-CA 3.07Å; V252-V274 HydrophobicContact CG2-CG2 4.02Å; I264-V274 HydrophobicContact CG2-CG1 4.3Å; I264-V274 HydrophobicContact CG2-CG2 4.48Å; A267-V274 HydrophobicContact CB-CG1 3.83Å; R268-V274 HydrophobicContact CG-CG1 3.55Å; R268-V274 PolarHBondContact NH1-O 3.31Å; N272-V274 VanDerWaalsContact C-N 3.3Å; N272-V274 HydrophobicContact CB-CG1 4.37Å; N272-V274 PolarHBondContact O-N 2.67Å; N272-V274 VanDerWaalsContact O-N 3.13Å
275F98.8Very high98.4Very high2 Ų227.5 Ų27.51%0.00913%0.133CC..EExtended strand (participates in β ladder)trans-113.5140.7172.3-52.1-79000108.5L250 Y251 V252 V273 I391 F477 A478L250-F275 PolarHBondContact O-N 3.06Å; Y251-F275 HydrophobicContact CD2-CB 3.99Å; Y251-F275 HydrophobicContact CG-CB 4.45Å; V252-F275 PolarHBondContact N-O 3.39Å; V273-F275 HydrophobicContact CG1-CE2 4.14Å; V273-F275 HydrophobicContact CG1-CZ 4.31Å; F275-I391 HydrophobicContact CD1-CD1 4.22Å; F275-I391 HydrophobicContact CG-CD1 4.25Å; F275-F477 HydrophobicContact CD1-CE1 4.08Å; F275-F477 AromaticContact CE1-CD1 3.77Å; F275-F477 HydrophobicContact CE1-CD1 3.77Å; F275-F477 AromaticContact CE1-CE1 3.34Å; F275-F477 HydrophobicContact CE1-CE1 3.34Å; F275-F477 HydrophobicContact CE1-CZ 4.08Å; F275-F477 AromaticContact CZ-CD1 3.93Å; F275-F477 HydrophobicContact CZ-CD1 3.93Å; F275-F477 AromaticContact CZ-CE1 3.99Å; F275-F477 HydrophobicContact CZ-CE1 3.99Å; F275-A478 HydrophobicContact CE2-CB 4Å; F275-A478 HydrophobicContact CZ-CB 4.16Å
276G98.8Very high98.4Very high0 Ų028.6 Ų28.60%014%0.139CC..EExtended strand (participates in β ladder)trans-116.8135173.200000110.4S327G276-S327 PolarHBondContact O-N 3.13Å
277E98.8Very high98.4Very high0 Ų023.6 Ų23.60%012%0.115CC..EExtended strand (participates in β ladder)trans-115.896.9179.3-180-160.9-141.900110.9I72 H73 Y251 V252 T253 R254 V255 V328 G330I72-E277 VanDerWaalsContact CG2-OE1 3.27Å; I72-E277 WeakPolarHBondContact CG2-OE1 3.25Å; H73-E277 WeakPolarHBondContact CB-OE1 3.4Å; H73-E277 IonicContact CE1-OE2 3.59Å; H73-E277 IonicContact CG-OE1 3.7Å; H73-E277 IonicContact CG-OE2 3.63Å; H73-E277 IonicContact ND1-OE1 3.59Å; H73-E277 IonicContact ND1-OE2 3.87Å; H73-E277 PolarHBondContact ND1-OE2 3.41Å; Y251-E277 HydrophobicContact CE1-CB 3.44Å; Y251-E277 VanDerWaalsContact CE1-CB 3.44Å; Y251-E277 HydrophobicContact CE1-CG 4.13Å; Y251-E277 VanDerWaalsContact OH-CB 3.28Å; Y251-E277 WeakPolarHBondContact OH-CB 3.48Å; Y251-E277 VanDerWaalsContact OH-CG 3.27Å; Y251-E277 WeakPolarHBondContact OH-CG 3.14Å; Y251-E277 PolarHBondContact OH-OE1 3.14Å; V252-E277 PolarHBondContact O-N 3.4Å; T253-E277 WeakPolarHBondContact CA-OE2 3.41Å; T253-E277 WeakPolarHBondContact CB-OE2 3.47Å; R254-E277 CarbonylContact C-O 3.55Å; R254-E277 WeakPolarHBondContact CA-O 3.14Å; R254-E277 PolarHBondContact N-O 3.32Å; R254-E277 PolarHBondContact N-OE2 2.98Å; V255-E277 PolarHBondContact N-O 2.9Å; E277-V328 WeakPolarHBondContact CA-O 3.38Å; E277-V328 HydrophobicContact CB-CG1 4.33Å; E277-G330 WeakPolarHBondContact OE1-CA 3.43Å; E277-G330 PolarHBondContact OE1-N 3.04Å
278P98.8Very high98.3Very high0 Ų026.5 Ų26.50%013%0.133CC..EExtended strand (participates in β ladder)trans-70.2155.1159.832.4-36.3000109.7L283 L321 L326 V328 T329P278-L283 HydrophobicContact CB-CD1 4.2Å; P278-L283 HydrophobicContact CB-CD2 3.83Å; P278-L283 HydrophobicContact CB-CG 3.93Å; P278-L283 HydrophobicContact CG-CD1 4.15Å; P278-L283 HydrophobicContact CG-CD2 4.07Å; P278-L283 HydrophobicContact CG-CG 4.34Å; P278-L321 HydrophobicContact CG-CD1 4.12Å; P278-L326 HydrophobicContact CB-CD1 4.07Å; P278-L326 HydrophobicContact CG-CB 4.11Å; P278-L326 HydrophobicContact CG-CD1 3.75Å; P278-L326 HydrophobicContact CG-CG 4.46Å; P278-V328 WeakPolarHBondContact CD-O 3.45Å; P278-T329 HydrophobicContact CG-CG2 4.37Å
279I98.8Very high98.3Very high0 Ų025.6 Ų25.60%013%0.131CC..BIsolated β-bridgetrans-113.2164.4-179.460.9167000111.6R254 M256 A281 S282 L283 G330 A332R254-I279 HydrophobicContact CG-CD1 4.37Å; R254-I279 HydrophobicContact CG-CG2 4.02Å; M256-I279 HydrophobicContact CE-CD1 4.1Å; M256-I279 HydrophobicContact CE-CG1 4.42Å; M256-I279 HydrophobicContact SD-CD1 3.65Å; M256-I279 HydrophobicContact SD-CG1 3.66Å; I279-A281 HydrophobicContact CD1-CB 4.01Å; I279-A281 HydrophobicContact CG1-CB 4.26Å; I279-A281 PolarHBondContact O-N 3.26Å; I279-A281 VanDerWaalsContact O-N 3.09Å; I279-S282 PolarHBondContact N-OG 3.49Å; I279-S282 VanDerWaalsContact N-OG 3.12Å; I279-S282 PolarHBondContact O-N 3.31Å; I279-S282 PolarHBondContact O-OG 2.95Å; I279-L283 WeakPolarHBondContact O-CG 3.46Å; I279-L283 PolarHBondContact O-N 3.38Å; I279-G330 WeakPolarHBondContact CA-O 3.48Å; I279-A332 HydrophobicContact CB-CB 4.42Å; I279-A332 HydrophobicContact CD1-CB 3.95Å; I279-A332 HydrophobicContact CG2-CB 3.84Å
280T98.8Very high98.3Very high0 Ų018 Ų180%010%0.098CC..Hα-helixtrans-47.9-41.9177.9-47.50000112.5G284 G330 S331 E360 R361 L364 F434T280-G284 PolarHBondContact O-N 3.06Å; T280-G330 PolarHBondContact N-O 3.01Å; T280-G330 VanDerWaalsContact N-O 3.14Å; T280-S331 WeakPolarHBondContact OG1-CA 3.23Å; T280-E360 HydrophobicContact CG2-CB 4.32Å; T280-R361 HydrophobicContact CG2-CB 4.31Å; T280-R361 WeakPolarHBondContact OG1-CB 3.33Å; T280-R361 WeakPolarHBondContact OG1-CG 3.24Å; T280-L364 HydrophobicContact CG2-CB 4.24Å; T280-L364 HydrophobicContact CG2-CD1 4.06Å; T280-L364 HydrophobicContact CG2-CD2 4.41Å; T280-L364 HydrophobicContact CG2-CG 4.46Å; T280-F434 HydrophobicContact CG2-CE2 3.8Å; T280-F434 HydrophobicContact CG2-CZ 3.65Å
281A98.7Very high98.4Very high0 Ų016.6 Ų16.60%09%0.089CC..Hα-helixtrans-64.4-49.5178.400000112.6I279 L283 G284 T285 L307 V355 F434I279-A281 HydrophobicContact CD1-CB 4.01Å; I279-A281 HydrophobicContact CG1-CB 4.26Å; I279-A281 PolarHBondContact O-N 3.26Å; I279-A281 VanDerWaalsContact O-N 3.09Å; A281-L283 VanDerWaalsContact C-N 3.27Å; A281-L283 PolarHBondContact O-N 2.94Å; A281-G284 PolarHBondContact O-N 3.47Å; A281-T285 WeakPolarHBondContact O-CG2 3.42Å; A281-T285 PolarHBondContact O-N 3.3Å; A281-L307 VanDerWaalsContact C-CD2 3.5Å; A281-L307 HydrophobicContact CB-CD2 3.96Å; A281-L307 WeakPolarHBondContact O-CD2 3.43Å; A281-V355 HydrophobicContact CB-CG2 3.84Å; A281-F434 HydrophobicContact CB-CZ 4.37Å
282S98.8Very high98.5Very high2 Ų217 Ų171%0.0149%0.088CC..Hα-helixtrans-70.9-22-178.862.70000113.8V255 I279 P314V255-S282 PolarHBondContact O-OG 3.27Å; I279-S282 PolarHBondContact N-OG 3.49Å; I279-S282 VanDerWaalsContact N-OG 3.12Å; I279-S282 PolarHBondContact O-N 3.31Å; I279-S282 PolarHBondContact O-OG 2.95Å; S282-P314 VanDerWaalsContact O-CA 3.25Å; S282-P314 WeakPolarHBondContact O-CA 3.37Å; S282-P314 WeakPolarHBondContact O-CB 3.44Å
283L98.8Very high98.5Very high1 Ų126.4 Ų26.41%0.00513%0.128CC..Hα-helixtrans-86-18.8174-63.9172.7000113.4P278 I279 A281 L317 N318 L321 T329 L364 I365P278-L283 HydrophobicContact CB-CD1 4.2Å; P278-L283 HydrophobicContact CB-CD2 3.83Å; P278-L283 HydrophobicContact CB-CG 3.93Å; P278-L283 HydrophobicContact CG-CD1 4.15Å; P278-L283 HydrophobicContact CG-CD2 4.07Å; P278-L283 HydrophobicContact CG-CG 4.34Å; I279-L283 WeakPolarHBondContact O-CG 3.46Å; I279-L283 PolarHBondContact O-N 3.38Å; A281-L283 VanDerWaalsContact C-N 3.27Å; A281-L283 PolarHBondContact O-N 2.94Å; L283-L317 HydrophobicContact CD2-CB 3.78Å; L283-N318 PolarHBondContact O-ND2 3.47Å; L283-L321 HydrophobicContact CD1-CD2 3.91Å; L283-L321 HydrophobicContact CD2-CD2 4.35Å; L283-T329 HydrophobicContact CD1-CG2 3.77Å; L283-L364 HydrophobicContact CB-CD2 4.02Å; L283-I365 HydrophobicContact CD1-CD1 4.38Å; L283-I365 HydrophobicContact CD1-CG1 4.02Å
284G98.1Very high98.5Very high9 Ų930.6 Ų30.69%0.09315%0.15CC..Hα-helixtrans-113-30.6-167.300000116T280 A281 L364 M437T280-G284 PolarHBondContact O-N 3.06Å; A281-G284 PolarHBondContact O-N 3.47Å; G284-L364 VanDerWaalsContact CA-CD2 3.44Å; G284-M437 WeakPolarHBondContact O-CE 3.11Å
285T98.5Very high98.5Very high8 Ų833.6 Ų33.65%0.04916%0.161CC..  trans-146.9174.6-174.5-166.60000111.1A281 H289 F301 L307 P314 F434A281-T285 WeakPolarHBondContact O-CG2 3.42Å; A281-T285 PolarHBondContact O-N 3.3Å; T285-H289 PolarHBondContact OG1-CD2 3.24Å; T285-H289 PolarHBondContact OG1-NE2 2.72Å; T285-F301 HydrophobicContact CG2-CD1 4.27Å; T285-F301 HydrophobicContact CG2-CE1 4.03Å; T285-L307 HydrophobicContact CG2-CD1 3.78Å; T285-L307 HydrophobicContact CG2-CD2 4.19Å; T285-P314 WeakPolarHBondContact O-CG 3.42Å; T285-F434 HydrophobicContact CG2-CD1 4.38Å; T285-F434 HydrophobicContact CG2-CE1 3.93Å
286D98.4Very high98.4Very high28 Ų2835.1 Ų35.115%0.1517%0.174CC..  trans-130.1173.5-174.966.452.5000112.6T288 H289 P311 P314D286-T288 VanDerWaalsContact C-N 3.29Å; D286-T288 PolarHBondContact O-N 3.5Å; D286-T288 WeakPolarHBondContact OD1-CB 3.41Å; D286-T288 WeakPolarHBondContact OD1-CG2 3.37Å; D286-T288 PolarHBondContact OD1-N 3.35Å; D286-T288 PolarHBondContact OD1-OG1 3.29Å; D286-H289 PolarHBondContact O-CD2 3.36Å; D286-H289 VanDerWaalsContact O-CD2 3.29Å; D286-P311 WeakPolarHBondContact OD2-CB 3.35Å; D286-P314 HydrophobicContact CB-CG 4.32Å
287G97.9Very high98.4Very high0 Ų040 Ų400%020%0.195CC..G310 helixtrans-79.91.2-177.600000114.5H289 Y290 W291 L307 S308G287-H289 PolarHBondContact O-N 2.98Å; G287-H289 VanDerWaalsContact O-N 3.08Å; G287-Y290 WeakPolarHBondContact O-CD2 3.35Å; G287-Y290 PolarHBondContact O-N 2.92Å; G287-W291 WeakPolarHBondContact O-CZ3 3.29Å; G287-L307 WeakPolarHBondContact CA-O 3.31Å; G287-S308 WeakPolarHBondContact CA-O 3.41Å; G287-S308 PolarHBondContact N-O 2.96Å
288T98.3Very high98.4Very high66 Ų6640 Ų4041%0.40520%0.195SC..G310 helixtrans-61.3-23.4177.764.10000111.9D286 Y290 W291D286-T288 VanDerWaalsContact C-N 3.29Å; D286-T288 PolarHBondContact O-N 3.5Å; D286-T288 WeakPolarHBondContact OD1-CB 3.41Å; D286-T288 WeakPolarHBondContact OD1-CG2 3.37Å; D286-T288 PolarHBondContact OD1-N 3.35Å; D286-T288 PolarHBondContact OD1-OG1 3.29Å; T288-Y290 VanDerWaalsContact C-N 3.27Å; T288-Y290 PolarHBondContact O-N 3.24Å; T288-W291 PolarHBondContact O-N 3.28Å
289H97.9Very high98.4Very high48 Ų4840 Ų4022%0.22220%0.195CC..G310 helixtrans-64.7-22.7178.3-63.1-51.9000115T285 D286 G287 W291 S292 A298 F301T285-H289 PolarHBondContact OG1-CD2 3.24Å; T285-H289 PolarHBondContact OG1-NE2 2.72Å; D286-H289 PolarHBondContact O-CD2 3.36Å; D286-H289 VanDerWaalsContact O-CD2 3.29Å; G287-H289 PolarHBondContact O-N 2.98Å; G287-H289 VanDerWaalsContact O-N 3.08Å; H289-W291 PolarHBondContact O-N 2.92Å; H289-S292 WeakPolarHBondContact O-CB 3.42Å; H289-S292 PolarHBondContact O-N 3.18Å; H289-A298 WeakPolarHBondContact O-CA 3.25Å; H289-F301 HydrophobicContact CB-CB 4.41Å; H289-F301 HydrophobicContact CB-CD1 3.85Å; H289-F301 HydrophobicContact CB-CD2 3.59Å; H289-F301 HydrophobicContact CB-CE1 3.96Å; H289-F301 HydrophobicContact CB-CE2 3.73Å; H289-F301 HydrophobicContact CB-CG 3.68Å; H289-F301 HydrophobicContact CB-CZ 3.91Å; H289-F301 AromaticContact CD2-CD1 3.64Å; H289-F301 AromaticContact CD2-CE1 3.11Å; H289-F301 WeakPolarHBondContact CD2-CE1 3.39Å; H289-F301 AromaticContact CD2-CZ 3.43Å; H289-F301 VanDerWaalsContact CD2-CZ 3.43Å; H289-F301 WeakPolarHBondContact CD2-CZ 3.36Å; H289-F301 AromaticContact CG-CE1 3.63Å; H289-F301 AromaticContact CG-CE2 3.86Å; H289-F301 AromaticContact CG-CZ 3.55Å; H289-F301 AromaticContact NE2-CE1 3.85Å; H289-F301 AromaticContact NE2-CZ 3.95Å
290Y98.5Very high98.3Very high0 Ų040.5 Ų40.50%020%0.198CC..G310 helixtrans-63.6-23.1176.4-65.6-68.3000113.3P220 V224 G287 T288 S292 A298 F301 V302 P306 L307P220-Y290 HydrophobicContact CB-CD1 4.18Å; V224-Y290 HydrophobicContact CB-CD2 4.38Å; V224-Y290 HydrophobicContact CG2-CD1 4.05Å; V224-Y290 HydrophobicContact CG2-CD2 3.08Å; V224-Y290 HydrophobicContact CG2-CE1 4.12Å; V224-Y290 HydrophobicContact CG2-CE2 3.18Å; V224-Y290 HydrophobicContact CG2-CG 3.53Å; G287-Y290 WeakPolarHBondContact O-CD2 3.35Å; G287-Y290 PolarHBondContact O-N 2.92Å; T288-Y290 VanDerWaalsContact C-N 3.27Å; T288-Y290 PolarHBondContact O-N 3.24Å; Y290-S292 VanDerWaalsContact C-N 3.32Å; Y290-A298 WeakPolarHBondContact O-CB 3.5Å; Y290-F301 HydrophobicContact CD1-CB 4.4Å; Y290-F301 HydrophobicContact CE1-CB 3.98Å; Y290-F301 PolarHBondContact OH-O 3.12Å; Y290-V302 HydrophobicContact CD1-CG2 4.29Å; Y290-V302 HydrophobicContact CE1-CB 4.41Å; Y290-V302 HydrophobicContact CE1-CG2 3.86Å; Y290-P306 HydrophobicContact CE2-CB 4.34Å; Y290-L307 HydrophobicContact CE2-CB 4.02Å; Y290-L307 PolarHBondContact OH-N 2.9Å
291W98.6Very high98.3Very high125 Ų12540.8 Ų40.847%0.47320%0.2SC..G310 helixtrans-91.111.8175.4-74.5-93.3000113.6E221 V224 L225 G287 T288 H289 K293 P309E221-W291 HydrophobicContact CB-CD2 4.23Å; E221-W291 HydrophobicContact CB-CG 4.42Å; E221-W291 HydrophobicContact CB-CZ2 4.26Å; V224-W291 HydrophobicContact CB-CH2 4.44Å; V224-W291 HydrophobicContact CG1-CH2 4.46Å; L225-W291 HydrophobicContact CD2-CZ2 4.23Å; L225-W291 HydrophobicContact CG-CZ2 4.27Å; G287-W291 WeakPolarHBondContact O-CZ3 3.29Å; T288-W291 PolarHBondContact O-N 3.28Å; H289-W291 PolarHBondContact O-N 2.92Å; W291-K293 PolarHBondContact O-N 2.85Å; W291-P309 HydrophobicContact CH2-CB 4.22Å; W291-P309 HydrophobicContact CZ3-CB 3.91Å
292S98.2Very high98.3Very high33 Ų3340.8 Ų40.823%0.23120%0.2CC..  trans-58.9129.8173.9163.70000110.9H289 Y290 N294H289-S292 WeakPolarHBondContact O-CB 3.42Å; H289-S292 PolarHBondContact O-N 3.18Å; Y290-S292 VanDerWaalsContact C-N 3.32Å; S292-N294 PolarHBondContact O-N 3.4Å; S292-N294 VanDerWaalsContact O-N 3.17Å; S292-N294 PolarHBondContact OG-N 2.64Å; S292-N294 VanDerWaalsContact OG-N 3.13Å; S292-N294 PolarHBondContact OG-O 2.9Å
293K98.1Very high98.3Very high222 Ų22240.9 Ų40.997%0.96520%0.2SC*.SBendtrans-61.8-22.2173.4-64-174.1179.6-178.30113.2W291W291-K293 PolarHBondContact O-N 2.85Å
294N98.3Very high98.2Very high96 Ų9640.9 Ų40.951%0.51320%0.2SC..SBendtrans-85.6109.9169.4179.6-20.4000108.4S292 A296 K297 A298S292-N294 PolarHBondContact O-N 3.4Å; S292-N294 VanDerWaalsContact O-N 3.17Å; S292-N294 PolarHBondContact OG-N 2.64Å; S292-N294 VanDerWaalsContact OG-N 3.13Å; S292-N294 PolarHBondContact OG-O 2.9Å; N294-A296 VanDerWaalsContact C-N 3.35Å; N294-A296 PolarHBondContact O-N 2.98Å; N294-A296 PolarHBondContact OD1-N 2.76Å; N294-K297 HydrophobicContact CB-CB 4.04Å; N294-K297 PolarHBondContact O-N 2.88Å; N294-K297 PolarHBondContact OD1-N 3.25Å; N294-A298 PolarHBondContact O-N 3.01Å
295W98.4Very high98.2Very high66 Ų6640.5 Ų40.525%0.2520%0.196CC..Hα-helixtrans-57.1-44.1-179.1-178.295.7000112.6K297 A298 A299 K341 A342 K345 I351W295-K297 VanDerWaalsContact C-N 3.29Å; W295-K297 PolarHBondContact O-N 2.56Å; W295-A298 PolarHBondContact O-N 2.8Å; W295-A298 VanDerWaalsContact O-N 3.08Å; W295-A299 HydrophobicContact CD2-CB 4.32Å; W295-A299 HydrophobicContact CE3-CB 4.14Å; W295-A299 HydrophobicContact CH2-CB 3.48Å; W295-A299 VanDerWaalsContact CH2-CB 3.48Å; W295-A299 HydrophobicContact CZ2-CB 3.75Å; W295-A299 HydrophobicContact CZ3-CB 3.73Å; W295-A299 WeakPolarHBondContact O-CB 3.33Å; W295-A299 PolarHBondContact O-N 2.75Å; W295-K341 WeakPolarHBondContact CH2-O 3.45Å; W295-A342 VanDerWaalsContact CH2-CA 3.48Å; W295-A342 HydrophobicContact CH2-CB 4.33Å; W295-A342 HydrophobicContact CZ3-CB 4.07Å; W295-K345 HydrophobicContact CH2-CB 4.3Å; W295-K345 HydrophobicContact CZ2-CB 4.06Å; W295-I351 HydrophobicContact CZ2-CD1 3.78Å; W295-I351 HydrophobicContact CZ2-CG1 4.09Å
296A98Very high98.2Very high33 Ų3340.8 Ų40.827%0.27320%0.198SC..Hα-helixtrans-63.4-38.2-179.400000111.6N294 S300 V338N294-A296 VanDerWaalsContact C-N 3.35Å; N294-A296 PolarHBondContact O-N 2.98Å; N294-A296 PolarHBondContact OD1-N 2.76Å; A296-S300 PolarHBondContact O-N 3.33Å; A296-S300 VanDerWaalsContact O-N 3.1Å; A296-V338 HydrophobicContact CB-CG1 3.87Å
297K97.9Very high98.2Very high103 Ų10339.5 Ų39.545%0.44819%0.191SC..Hα-helixtrans-66.6-40.9172.3179.4176.2180175.40111.8N294 W295 S300 F301N294-K297 HydrophobicContact CB-CB 4.04Å; N294-K297 PolarHBondContact O-N 2.88Å; N294-K297 PolarHBondContact OD1-N 3.25Å; W295-K297 VanDerWaalsContact C-N 3.29Å; W295-K297 PolarHBondContact O-N 2.56Å; K297-S300 PolarHBondContact O-OG 2.77Å; K297-F301 HydrophobicContact CG-CE2 4.32Å; K297-F301 WeakPolarHBondContact O-CD2 3.47Å
298A98.6Very high98.3Very high1 Ų139.9 Ų39.91%0.00819%0.194CC..Hα-helixtrans-66.4-42.6177.500000111.4P220 H289 Y290 N294 W295 S300 F301P220-A298 HydrophobicContact CB-CB 3.87Å; P220-A298 HydrophobicContact CG-CB 3.71Å; H289-A298 WeakPolarHBondContact O-CA 3.25Å; Y290-A298 WeakPolarHBondContact O-CB 3.5Å; N294-A298 PolarHBondContact O-N 3.01Å; W295-A298 PolarHBondContact O-N 2.8Å; W295-A298 VanDerWaalsContact O-N 3.08Å; A298-S300 VanDerWaalsContact C-N 3.3Å; A298-S300 PolarHBondContact O-N 2.8Å; A298-F301 PolarHBondContact O-N 3.21Å
299A98.6Very high98.2Very high0 Ų039.6 Ų39.60%019%0.193CC..Hα-helixtrans-66-28.7-179.600000113.2P220 W295 F301 V302 K341 I351P220-A299 HydrophobicContact CG-CB 4.1Å; W295-A299 HydrophobicContact CD2-CB 4.32Å; W295-A299 HydrophobicContact CE3-CB 4.14Å; W295-A299 HydrophobicContact CH2-CB 3.48Å; W295-A299 VanDerWaalsContact CH2-CB 3.48Å; W295-A299 HydrophobicContact CZ2-CB 3.75Å; W295-A299 HydrophobicContact CZ3-CB 3.73Å; W295-A299 WeakPolarHBondContact O-CB 3.33Å; W295-A299 PolarHBondContact O-N 2.75Å; A299-F301 PolarHBondContact O-N 3.36Å; A299-V302 WeakPolarHBondContact O-CB 3.31Å; A299-V302 PolarHBondContact O-N 3.45Å; A299-V302 VanDerWaalsContact O-N 3.14Å; A299-K341 HydrophobicContact CB-CB 4.31Å; A299-K341 WeakPolarHBondContact O-CD 3.38Å; A299-K341 PolarHBondContact O-NZ 3.39Å; A299-I351 HydrophobicContact CB-CD1 4.28Å; A299-I351 HydrophobicContact CB-CG2 4.41Å
300S98.1Very high98.3Very high9 Ų940 Ų406%0.06320%0.197CC..THydrogen-bonded Turntrans-65.4-18.8178.169.80000113.7A296 K297 A298 V433A296-S300 PolarHBondContact O-N 3.33Å; A296-S300 VanDerWaalsContact O-N 3.1Å; K297-S300 PolarHBondContact O-OG 2.77Å; A298-S300 VanDerWaalsContact C-N 3.3Å; A298-S300 PolarHBondContact O-N 2.8Å; S300-V433 WeakPolarHBondContact O-CG1 3.05Å
301F98.6Very high98.2Very high7 Ų743.9 Ų43.93%0.03122%0.222CC..THydrogen-bonded Turntrans-93.1-8177-69.7-99.9000113.2T285 H289 Y290 K297 A298 A299 T303 L307 V433T285-F301 HydrophobicContact CG2-CD1 4.27Å; T285-F301 HydrophobicContact CG2-CE1 4.03Å; H289-F301 HydrophobicContact CB-CB 4.41Å; H289-F301 HydrophobicContact CB-CD1 3.85Å; H289-F301 HydrophobicContact CB-CD2 3.59Å; H289-F301 HydrophobicContact CB-CE1 3.96Å; H289-F301 HydrophobicContact CB-CE2 3.73Å; H289-F301 HydrophobicContact CB-CG 3.68Å; H289-F301 HydrophobicContact CB-CZ 3.91Å; H289-F301 AromaticContact CD2-CD1 3.64Å; H289-F301 AromaticContact CD2-CE1 3.11Å; H289-F301 WeakPolarHBondContact CD2-CE1 3.39Å; H289-F301 AromaticContact CD2-CZ 3.43Å; H289-F301 VanDerWaalsContact CD2-CZ 3.43Å; H289-F301 WeakPolarHBondContact CD2-CZ 3.36Å; H289-F301 AromaticContact CG-CE1 3.63Å; H289-F301 AromaticContact CG-CE2 3.86Å; H289-F301 AromaticContact CG-CZ 3.55Å; H289-F301 AromaticContact NE2-CE1 3.85Å; H289-F301 AromaticContact NE2-CZ 3.95Å; Y290-F301 HydrophobicContact CD1-CB 4.4Å; Y290-F301 HydrophobicContact CE1-CB 3.98Å; Y290-F301 PolarHBondContact OH-O 3.12Å; K297-F301 HydrophobicContact CG-CE2 4.32Å; K297-F301 WeakPolarHBondContact O-CD2 3.47Å; A298-F301 PolarHBondContact O-N 3.21Å; A299-F301 PolarHBondContact O-N 3.36Å; F301-T303 PolarHBondContact O-N 3.34Å; F301-T303 VanDerWaalsContact O-N 3.12Å; F301-L307 HydrophobicContact CB-CD1 4.3Å; F301-L307 HydrophobicContact CD1-CD1 3.77Å; F301-V433 HydrophobicContact CD1-CB 3.97Å; F301-V433 HydrophobicContact CD1-CG1 4.06Å; F301-V433 HydrophobicContact CE1-CB 3.59Å; F301-V433 HydrophobicContact CE1-CG1 4.09Å; F301-V433 VanDerWaalsContact CE1-O 3.3Å; F301-V433 WeakPolarHBondContact CE1-O 3.47Å; F301-V433 HydrophobicContact CG-CG1 4.3Å; F301-V433 HydrophobicContact CZ-CB 3.99Å; F301-V433 HydrophobicContact CZ-CG1 4.35Å; F301-V433 WeakPolarHBondContact CZ-O 3.41Å
302V98.7Very high98.2Very high0 Ų041.5 Ų41.50%022%0.222CC..  trans-62.2114.5-179175.40000110.8P220 Y290 A299 K341 I351 E353 G354P220-V302 HydrophobicContact CB-CG2 3.9Å; Y290-V302 HydrophobicContact CD1-CG2 4.29Å; Y290-V302 HydrophobicContact CE1-CB 4.41Å; Y290-V302 HydrophobicContact CE1-CG2 3.86Å; A299-V302 WeakPolarHBondContact O-CB 3.31Å; A299-V302 PolarHBondContact O-N 3.45Å; A299-V302 VanDerWaalsContact O-N 3.14Å; V302-K341 PolarHBondContact O-NZ 3.36Å; V302-I351 HydrophobicContact CB-CG2 3.87Å; V302-I351 HydrophobicContact CG1-CB 4.17Å; V302-I351 HydrophobicContact CG1-CG2 3.88Å; V302-I351 HydrophobicContact CG2-CD1 4.14Å; V302-I351 HydrophobicContact CG2-CG2 4.09Å; V302-E353 HydrophobicContact CG1-CG 4.18Å; V302-G354 PolarHBondContact O-N 3.18Å
303T98.1Very high98.3Very high4 Ų440.1 Ų40.13%0.02521%0.211CC..  trans-149.7162.5177.2-171.90000109.8H223 M256 F301 P305 P306 L307 V355H223-T303 PolarHBondContact NE2-O 2.78Å; M256-T303 HydrophobicContact CE-CG2 4.05Å; F301-T303 PolarHBondContact O-N 3.34Å; F301-T303 VanDerWaalsContact O-N 3.12Å; T303-P305 CarbonylContact C-O 3.54Å; T303-P305 CarbonylContact O-C 3.57Å; T303-P306 WeakPolarHBondContact O-CA 3.48Å; T303-L307 HydrophobicContact CG2-CG 4.45Å; T303-V355 HydrophobicContact CG2-CG1 4.36Å
304S96.9Very high98.3Very high0 Ų030.3 Ų30.30%017%0.17CC..SBendtrans-126130178.3-149.90000111.6Y170 H198 E200 R227 R254 E353Y170-S304 WeakPolarHBondContact OH-CB 3.45Å; H198-S304 PolarHBondContact CE1-O 3.38Å; E200-S304 PolarHBondContact OE2-OG 3.46Å; R227-S304 PolarHBondContact NH1-OG 2.92Å; R254-S304 WeakPolarHBondContact CD-O 3.46Å; R254-S304 PolarHBondContact NH1-O 2.74Å; S304-E353 VanDerWaalsContact CB-OE2 3.22Å; S304-E353 WeakPolarHBondContact CB-OE2 3.36Å
305P98.4Very high98.3Very high2 Ų229.9 Ų29.91%0.01317%0.168CC..SBendcis-59.1158.3-9.9-14.427.7000111.3E200 E232 M256 T303E200-P305 HydrophobicContact CG-CB 3.97Å; E200-P305 HydrophobicContact CG-CG 3.73Å; E200-P305 WeakPolarHBondContact OE2-CA 3.34Å; E232-P305 HydrophobicContact CG-CB 4.42Å; E232-P305 HydrophobicContact CG-CG 4.19Å; M256-P305 HydrophobicContact CB-CB 4.06Å; M256-P305 HydrophobicContact CG-CB 3.72Å; M256-P305 HydrophobicContact CG-CG 3.97Å; M256-P305 WeakPolarHBondContact CG-O 3.48Å; T303-P305 CarbonylContact C-O 3.54Å; T303-P305 CarbonylContact O-C 3.57Å
306P98.5Very high98.4Very high13 Ų1330.2 Ų30.28%0.08417%0.17CC..PPolyproline II helixtrans-72.8150.6-177.131.5-33.9000110.7V224 R227 M256 Y290 T303 S308V224-P306 HydrophobicContact CB-CB 4.39Å; V224-P306 HydrophobicContact CG1-CB 4.38Å; V224-P306 HydrophobicContact CG1-CG 4.32Å; V224-P306 HydrophobicContact CG2-CB 3.77Å; V224-P306 HydrophobicContact CG2-CG 4.48Å; R227-P306 HydrophobicContact CG-CG 3.63Å; M256-P306 WeakPolarHBondContact CB-O 3.21Å; Y290-P306 HydrophobicContact CE2-CB 4.34Å; T303-P306 WeakPolarHBondContact O-CA 3.48Å; P306-S308 PolarHBondContact O-N 3.09Å
307L98.7Very high98.4Very high1 Ų128.7 Ų28.71%0.00516%0.157CC..PPolyproline II helixtrans-52.6129.7162.9-68.8161.8000110.7M256 A281 T285 G287 Y290 F301 T303M256-L307 HydrophobicContact CE-CB 4.49Å; M256-L307 HydrophobicContact CE-CD2 3.53Å; M256-L307 HydrophobicContact CE-CG 3.82Å; A281-L307 VanDerWaalsContact C-CD2 3.5Å; A281-L307 HydrophobicContact CB-CD2 3.96Å; A281-L307 WeakPolarHBondContact O-CD2 3.43Å; T285-L307 HydrophobicContact CG2-CD1 3.78Å; T285-L307 HydrophobicContact CG2-CD2 4.19Å; G287-L307 WeakPolarHBondContact CA-O 3.31Å; Y290-L307 HydrophobicContact CE2-CB 4.02Å; Y290-L307 PolarHBondContact OH-N 2.9Å; F301-L307 HydrophobicContact CB-CD1 4.3Å; F301-L307 HydrophobicContact CD1-CD1 3.77Å; T303-L307 HydrophobicContact CG2-CG 4.45Å
308S98.1Very high98.4Very high9 Ų923.9 Ų23.96%0.06314%0.136CC..PPolyproline II helixtrans-64.4132.2179.5176.30000110.8E229 G287 P306 D310 T313E229-S308 PolarHBondContact OE2-OG 3.33Å; G287-S308 WeakPolarHBondContact CA-O 3.41Å; G287-S308 PolarHBondContact N-O 2.96Å; P306-S308 PolarHBondContact O-N 3.09Å; S308-D310 PolarHBondContact O-N 2.93Å; S308-D310 PolarHBondContact OG-N 2.97Å; S308-T313 WeakPolarHBondContact CB-OG1 3.23Å; S308-T313 PolarHBondContact OG-OG1 2.75Å; S308-T313 VanDerWaalsContact OG-OG1 3.13Å
309P97.8Very high98.4Very high60 Ų6026.5 Ų26.539%0.3915%0.152SC..SBendtrans-70.8-8.7176.130.6-35.2000113.3V224 W291 P311V224-P309 HydrophobicContact CG1-CG 4.33Å; W291-P309 HydrophobicContact CH2-CB 4.22Å; W291-P309 HydrophobicContact CZ3-CB 3.91Å; P309-P311 VanDerWaalsContact O-CD 3.31Å; P309-P311 WeakPolarHBondContact O-CD 3.46Å
310D98.4Very high98.5Very high56 Ų5627 Ų2730%0.29916%0.155SC..  trans-74.4112.6170.1179.3-9.1000109.5K258 S308 T312 T313K258-D310 WeakPolarHBondContact CE-OD2 3.43Å; K258-D310 IonicContact NZ-OD1 2.71Å; K258-D310 IonicContact NZ-OD2 3.17Å; K258-D310 PolarHBondContact NZ-OD2 2.77Å; S308-D310 PolarHBondContact O-N 2.93Å; S308-D310 PolarHBondContact OG-N 2.97Å; D310-T312 VanDerWaalsContact CG-OG1 3.29Å; D310-T312 PolarHBondContact O-N 3.21Å; D310-T312 WeakPolarHBondContact OD1-CB 3.39Å; D310-T312 PolarHBondContact OD1-N 2.9Å; D310-T312 PolarHBondContact OD1-OG1 3.33Å; D310-T312 PolarHBondContact OD2-OG1 3.28Å; D310-T313 WeakPolarHBondContact O-CB 3.39Å; D310-T313 PolarHBondContact O-N 2.9Å; D310-T313 PolarHBondContact O-OG1 3.27Å
311P98.2Very high98.5Very high82 Ų8226.5 Ų26.553%0.53215%0.152SC..THydrogen-bonded Turntrans-67.5-9.9-17630.2-37.1000113.5D286 P309D286-P311 WeakPolarHBondContact OD2-CB 3.35Å; P309-P311 VanDerWaalsContact O-CD 3.31Å; P309-P311 WeakPolarHBondContact O-CD 3.46Å
312T98.6Very high98.5Very high75 Ų7527.3 Ų27.346%0.4616%0.159SC..THydrogen-bonded Turntrans-91.7-2.5176.764.50000112.9K258 D310 Y316K258-T312 PolarHBondContact NZ-OG1 3.04Å; D310-T312 VanDerWaalsContact CG-OG1 3.29Å; D310-T312 PolarHBondContact O-N 3.21Å; D310-T312 WeakPolarHBondContact OD1-CB 3.39Å; D310-T312 PolarHBondContact OD1-N 2.9Å; D310-T312 PolarHBondContact OD1-OG1 3.33Å; D310-T312 PolarHBondContact OD2-OG1 3.28Å; T312-Y316 WeakPolarHBondContact O-CB 3.28Å; T312-Y316 PolarHBondContact O-N 2.47Å; T312-Y316 VanDerWaalsContact O-N 3.15Å
313T98.9Very high98.4Very high3 Ų330.7 Ų30.72%0.01818%0.183CC..Hα-helixtrans-61.5-46.9177.4-64.60000113.3M256 K258 S308 D310 D315 Y316 L317M256-T313 WeakPolarHBondContact O-CG2 3.41Å; K258-T313 HydrophobicContact CG-CG2 4.15Å; S308-T313 WeakPolarHBondContact CB-OG1 3.23Å; S308-T313 PolarHBondContact OG-OG1 2.75Å; S308-T313 VanDerWaalsContact OG-OG1 3.13Å; D310-T313 WeakPolarHBondContact O-CB 3.39Å; D310-T313 PolarHBondContact O-N 2.9Å; D310-T313 PolarHBondContact O-OG1 3.27Å; T313-D315 PolarHBondContact O-N 2.87Å; T313-Y316 WeakPolarHBondContact O-CB 3.44Å; T313-Y316 PolarHBondContact O-N 3.5Å; T313-Y316 VanDerWaalsContact O-N 3.14Å; T313-L317 HydrophobicContact CG2-CD1 3.87Å; T313-L317 HydrophobicContact CG2-CG 4.07Å; T313-L317 WeakPolarHBondContact O-CG 3.35Å; T313-L317 PolarHBondContact O-N 3.45Å
314P98.8Very high98.4Very high16 Ų1631.5 Ų31.510%0.10419%0.192CC..Hα-helixtrans-59.7-43.6179.9-27.337.8000113.3S282 T285 D286 Y316 L317 N318S282-P314 VanDerWaalsContact O-CA 3.25Å; S282-P314 WeakPolarHBondContact O-CA 3.37Å; S282-P314 WeakPolarHBondContact O-CB 3.44Å; T285-P314 WeakPolarHBondContact O-CG 3.42Å; D286-P314 HydrophobicContact CB-CG 4.32Å; P314-Y316 VanDerWaalsContact C-N 3.3Å; P314-Y316 PolarHBondContact O-N 3.07Å; P314-L317 PolarHBondContact O-N 3.22Å; P314-N318 WeakPolarHBondContact O-CB 3.31Å; P314-N318 PolarHBondContact O-N 3.13Å; P314-N318 PolarHBondContact O-ND2 2.76Å
315D98.7Very high98.4Very high88 Ų8832.9 Ų32.947%0.47120%0.199SC..Hα-helixtrans-62.9-38.4177.5-171.677.2000112.2T313 T319 K374T313-D315 PolarHBondContact O-N 2.87Å; D315-T319 PolarHBondContact O-N 3.19Å; D315-T319 PolarHBondContact O-OG1 3.32Å; D315-K374 VanDerWaalsContact CG-CE 3.47Å; D315-K374 PolarHBondContact O-NZ 2.8Å; D315-K374 WeakPolarHBondContact OD1-CE 3.39Å; D315-K374 IonicContact OD1-NZ 3.08Å; D315-K374 PolarHBondContact OD1-NZ 3.33Å; D315-K374 IonicContact OD2-NZ 2.96Å; D315-K374 PolarHBondContact OD2-NZ 3.17Å
316Y98.9Very high98.4Very high73 Ų7332.8 Ų32.829%0.28620%0.199SC..Hα-helixtrans-65.7-48.4176-170.2-103000111.8K258 D262 T312 T313 P314 N318 T319 L320K258-Y316 HydrophobicContact CB-CD1 3.65Å; K258-Y316 HydrophobicContact CB-CE1 3.8Å; K258-Y316 HydrophobicContact CB-CG 4.45Å; K258-Y316 HydrophobicContact CD-CD1 4Å; K258-Y316 HydrophobicContact CD-CG 3.99Å; K258-Y316 HydrophobicContact CG-CD1 3.5Å; K258-Y316 VanDerWaalsContact CG-CD1 3.5Å; K258-Y316 HydrophobicContact CG-CE1 4.16Å; K258-Y316 HydrophobicContact CG-CG 3.91Å; D262-Y316 PolarHBondContact OD1-OH 3.08Å; T312-Y316 WeakPolarHBondContact O-CB 3.28Å; T312-Y316 PolarHBondContact O-N 2.47Å; T312-Y316 VanDerWaalsContact O-N 3.15Å; T313-Y316 WeakPolarHBondContact O-CB 3.44Å; T313-Y316 PolarHBondContact O-N 3.5Å; T313-Y316 VanDerWaalsContact O-N 3.14Å; P314-Y316 VanDerWaalsContact C-N 3.3Å; P314-Y316 PolarHBondContact O-N 3.07Å; Y316-N318 VanDerWaalsContact C-N 3.32Å; Y316-N318 PolarHBondContact O-N 2.6Å; Y316-T319 WeakPolarHBondContact O-CA 3.46Å; Y316-T319 VanDerWaalsContact O-CB 3.28Å; Y316-T319 WeakPolarHBondContact O-CB 3.34Å; Y316-T319 PolarHBondContact O-N 3.2Å; Y316-L320 HydrophobicContact CD1-CD1 3.86Å; Y316-L320 HydrophobicContact CD1-CD2 4.3Å; Y316-L320 HydrophobicContact CD2-CD1 4.22Å; Y316-L320 HydrophobicContact CE1-CD1 3.51Å; Y316-L320 HydrophobicContact CE1-CD2 3.69Å; Y316-L320 HydrophobicContact CE1-CG 4.27Å; Y316-L320 HydrophobicContact CE2-CD1 3.89Å; Y316-L320 HydrophobicContact CG-CD1 4.21Å; Y316-L320 WeakPolarHBondContact O-CD1 3.34Å; Y316-L320 PolarHBondContact O-N 2.75Å
317L98.9Very high98.4Very high0 Ų032.4 Ų32.40%020%0.197CC..Hα-helixtrans-62.4-39.2178-65.1-179.3000111.7V255 A261 L283 T313 P314 T319 L320 L321 L326V255-L317 HydrophobicContact CG1-CD2 4.3Å; A261-L317 HydrophobicContact CB-CD2 3.61Å; L283-L317 HydrophobicContact CD2-CB 3.78Å; T313-L317 HydrophobicContact CG2-CD1 3.87Å; T313-L317 HydrophobicContact CG2-CG 4.07Å; T313-L317 WeakPolarHBondContact O-CG 3.35Å; T313-L317 PolarHBondContact O-N 3.45Å; P314-L317 PolarHBondContact O-N 3.22Å; L317-T319 VanDerWaalsContact C-N 3.26Å; L317-T319 PolarHBondContact O-N 3.2Å; L317-L320 PolarHBondContact O-N 2.94Å; L317-L321 WeakPolarHBondContact O-CB 3.12Å; L317-L321 PolarHBondContact O-N 3.37Å; L317-L326 HydrophobicContact CB-CD1 4.39Å; L317-L326 HydrophobicContact CD2-CD1 3.95Å
318N98.8Very high98.4Very high2 Ų232.4 Ų32.41%0.01120%0.197CC..Hα-helixtrans-60.9-36172.1-81.4-72.9000112.2L283 P314 Y316 L321 A322 A369 K374L283-N318 PolarHBondContact O-ND2 3.47Å; P314-N318 WeakPolarHBondContact O-CB 3.31Å; P314-N318 PolarHBondContact O-N 3.13Å; P314-N318 PolarHBondContact O-ND2 2.76Å; Y316-N318 VanDerWaalsContact C-N 3.32Å; Y316-N318 PolarHBondContact O-N 2.6Å; N318-L321 PolarHBondContact O-N 2.9Å; N318-A322 WeakPolarHBondContact O-CB 3.43Å; N318-A322 PolarHBondContact O-N 3.35Å; N318-A369 HydrophobicContact CB-CB 4.45Å; N318-K374 HydrophobicContact CB-CD 3.95Å
319T98.7Very high98.4Very high56 Ų5632 Ų3234%0.34419%0.194SC..Hα-helixtrans-66.9-44.3175.9-54.10000111.4D315 Y316 L317 L321 A322 S323 K374D315-T319 PolarHBondContact O-N 3.19Å; D315-T319 PolarHBondContact O-OG1 3.32Å; Y316-T319 WeakPolarHBondContact O-CA 3.46Å; Y316-T319 VanDerWaalsContact O-CB 3.28Å; Y316-T319 WeakPolarHBondContact O-CB 3.34Å; Y316-T319 PolarHBondContact O-N 3.2Å; L317-T319 VanDerWaalsContact C-N 3.26Å; L317-T319 PolarHBondContact O-N 3.2Å; T319-L321 VanDerWaalsContact C-N 3.3Å; T319-L321 PolarHBondContact O-N 3.06Å; T319-A322 PolarHBondContact O-N 3.48Å; T319-S323 PolarHBondContact O-N 3.22Å; T319-S323 PolarHBondContact O-OG 2.77Å; T319-K374 PolarHBondContact OG1-NZ 3.12Å
320L98.8Very high98.4Very high10 Ų1029.1 Ų29.15%0.05218%0.175CC..Hα-helixtrans-70.3-28.8177.8-87.865.5000112.4A261 Y316 L317 S323 G324 D325 L326A261-L320 HydrophobicContact CB-CD2 3.46Å; A261-L320 VanDerWaalsContact CB-CD2 3.46Å; Y316-L320 HydrophobicContact CD1-CD1 3.86Å; Y316-L320 HydrophobicContact CD1-CD2 4.3Å; Y316-L320 HydrophobicContact CD2-CD1 4.22Å; Y316-L320 HydrophobicContact CE1-CD1 3.51Å; Y316-L320 HydrophobicContact CE1-CD2 3.69Å; Y316-L320 HydrophobicContact CE1-CG 4.27Å; Y316-L320 HydrophobicContact CE2-CD1 3.89Å; Y316-L320 HydrophobicContact CG-CD1 4.21Å; Y316-L320 WeakPolarHBondContact O-CD1 3.34Å; Y316-L320 PolarHBondContact O-N 2.75Å; L317-L320 PolarHBondContact O-N 2.94Å; L320-S323 WeakPolarHBondContact CA-OG 3.44Å; L320-S323 PolarHBondContact O-OG 3.25Å; L320-S323 VanDerWaalsContact O-OG 3.12Å; L320-G324 PolarHBondContact O-N 3.2Å; L320-D325 HydrophobicContact CB-CB 4.09Å; L320-D325 HydrophobicContact CG-CB 4.12Å; L320-D325 WeakPolarHBondContact O-CB 3.21Å; L320-D325 PolarHBondContact O-N 3.15Å; L320-L326 HydrophobicContact CB-CD1 3.96Å; L320-L326 HydrophobicContact CB-CG 4.02Å; L320-L326 PolarHBondContact O-N 2.52Å
321L98.7Very high98.4Very high0 Ų026.4 Ų26.40%016%0.161CC..Hα-helixtrans-67.5-46.1170.4-172.864000110.8P278 L283 L317 N318 T319 S323 G324 L326 T329 I365 M375 M379 V383P278-L321 HydrophobicContact CG-CD1 4.12Å; L283-L321 HydrophobicContact CD1-CD2 3.91Å; L283-L321 HydrophobicContact CD2-CD2 4.35Å; L317-L321 WeakPolarHBondContact O-CB 3.12Å; L317-L321 PolarHBondContact O-N 3.37Å; N318-L321 PolarHBondContact O-N 2.9Å; T319-L321 VanDerWaalsContact C-N 3.3Å; T319-L321 PolarHBondContact O-N 3.06Å; L321-S323 PolarHBondContact O-N 3.2Å; L321-G324 PolarHBondContact O-N 3.29Å; L321-L326 HydrophobicContact CB-CB 4.39Å; L321-L326 HydrophobicContact CD1-CB 4.07Å; L321-T329 HydrophobicContact CD1-CG2 3.97Å; L321-T329 HydrophobicContact CD2-CG2 3.52Å; L321-T329 HydrophobicContact CG-CG2 4.4Å; L321-I365 HydrophobicContact CD2-CG2 4.47Å; L321-M375 HydrophobicContact CB-CE 4.36Å; L321-M375 HydrophobicContact CD2-CE 3.97Å; L321-M375 HydrophobicContact CG-CE 3.94Å; L321-M379 WeakPolarHBondContact O-CE 3.42Å; L321-V383 HydrophobicContact CD1-CB 3.89Å; L321-V383 HydrophobicContact CD1-CG1 3.69Å; L321-V383 HydrophobicContact CD1-CG2 4.43Å; L321-V383 HydrophobicContact CD2-CB 4.43Å; L321-V383 HydrophobicContact CD2-CG2 4.09Å; L321-V383 HydrophobicContact CG-CB 4.2Å; L321-V383 HydrophobicContact CG-CG1 3.98Å; L321-V383 HydrophobicContact CG-CG2 4.24Å
322A98.4Very high98.4Very high23 Ų2322.8 Ų22.819%0.1914%0.137CC..Hα-helixtrans-64-36.8177.900000113.3N318 T319 G324 K374 M375N318-A322 WeakPolarHBondContact O-CB 3.43Å; N318-A322 PolarHBondContact O-N 3.35Å; T319-A322 PolarHBondContact O-N 3.48Å; A322-G324 PolarHBondContact O-N 3.5Å; A322-K374 HydrophobicContact CB-CB 4.23Å; A322-K374 VanDerWaalsContact CB-O 3.31Å; A322-K374 WeakPolarHBondContact CB-O 3.47Å; A322-M375 HydrophobicContact CB-CB 3.79Å; A322-M375 HydrophobicContact CB-CE 4.13Å
323S97.6Very high98.5Very high72 Ų7219.3 Ų19.350%0.50312%0.116SC..THydrogen-bonded Turntrans-76.5-7.9176.464.50000113.9T319 L320 L321 D325T319-S323 PolarHBondContact O-N 3.22Å; T319-S323 PolarHBondContact O-OG 2.77Å; L320-S323 WeakPolarHBondContact CA-OG 3.44Å; L320-S323 PolarHBondContact O-OG 3.25Å; L320-S323 VanDerWaalsContact O-OG 3.12Å; L321-S323 PolarHBondContact O-N 3.2Å; S323-D325 VanDerWaalsContact C-N 3.31Å; S323-D325 PolarHBondContact OG-OD2 2.84Å
324G97Very high98.4Very high20 Ų2019.5 Ų19.521%0.20612%0.117CC..THydrogen-bonded Turntrans75.714.3-176.300000114.5R268 L320 L321 A322 L326R268-G324 PolarHBondContact NE-O 3.3Å; R268-G324 PolarHBondContact NH2-O 3.46Å; L320-G324 PolarHBondContact O-N 3.2Å; L321-G324 PolarHBondContact O-N 3.29Å; A322-G324 PolarHBondContact O-N 3.5Å; G324-L326 CarbonylContact C-O 3.54Å
325D98.3Very high98.4Very high29 Ų2918.7 Ų18.716%0.15511%0.112CC..SBendtrans-68.5-43.8168.6-73.5-67.4000110.2S265 R268 L320 S323S265-D325 VanDerWaalsContact CB-OD1 3.25Å; S265-D325 WeakPolarHBondContact CB-OD1 3.39Å; S265-D325 VanDerWaalsContact OG-CG 3.24Å; S265-D325 PolarHBondContact OG-OD1 3.21Å; R268-D325 WeakPolarHBondContact CD-O 3.33Å; R268-D325 PolarHBondContact NE-O 2.75Å; L320-D325 HydrophobicContact CB-CB 4.09Å; L320-D325 HydrophobicContact CG-CB 4.12Å; L320-D325 WeakPolarHBondContact O-CB 3.21Å; L320-D325 PolarHBondContact O-N 3.15Å; S323-D325 VanDerWaalsContact C-N 3.31Å; S323-D325 PolarHBondContact OG-OD2 2.84Å
326L98.8Very high98.4Very high0 Ų014.5 Ų14.50%09%0.09CC..SBendtrans-94.2141.1164.1-60.8173.7000108.8V255 A261 I264 P278 L317 L320 L321 G324V255-L326 HydrophobicContact CB-CD2 4.47Å; V255-L326 HydrophobicContact CG1-CD2 4.22Å; V255-L326 HydrophobicContact CG2-CD2 4.27Å; A261-L326 HydrophobicContact CB-CD1 4.32Å; A261-L326 HydrophobicContact CB-CD2 4.35Å; I264-L326 HydrophobicContact CD1-CD2 4.23Å; I264-L326 HydrophobicContact CG2-CD2 4.48Å; P278-L326 HydrophobicContact CB-CD1 4.07Å; P278-L326 HydrophobicContact CG-CB 4.11Å; P278-L326 HydrophobicContact CG-CD1 3.75Å; P278-L326 HydrophobicContact CG-CG 4.46Å; L317-L326 HydrophobicContact CB-CD1 4.39Å; L317-L326 HydrophobicContact CD2-CD1 3.95Å; L320-L326 HydrophobicContact CB-CD1 3.96Å; L320-L326 HydrophobicContact CB-CG 4.02Å; L320-L326 PolarHBondContact O-N 2.52Å; L321-L326 HydrophobicContact CB-CB 4.39Å; L321-L326 HydrophobicContact CD1-CB 4.07Å; G324-L326 CarbonylContact C-O 3.54Å
327S97.2Very high98.3Very high6 Ų612.1 Ų12.14%0.0428%0.084CC..  trans-109-28.5-158.6-60.90000114.7R268 G276 N387R268-S327 PolarHBondContact NH1-OG 3.12Å; G276-S327 PolarHBondContact O-N 3.13Å; S327-N387 VanDerWaalsContact O-CB 3.28Å; S327-N387 WeakPolarHBondContact O-CB 3.47Å; S327-N387 PolarHBondContact O-ND2 2.64Å
328V98.4Very high98.2Very high0 Ų014.4 Ų14.40%010%0.098CC..  trans-158.6158.2-169.260.90000108.9I72 Y251 E277 P278 N387 A388 I391I72-V328 HydrophobicContact CG2-CG2 4.03Å; Y251-V328 HydrophobicContact CE2-CG1 3.72Å; Y251-V328 WeakPolarHBondContact OH-CG1 3.14Å; E277-V328 WeakPolarHBondContact CA-O 3.38Å; E277-V328 HydrophobicContact CB-CG1 4.33Å; P278-V328 WeakPolarHBondContact CD-O 3.45Å; V328-N387 HydrophobicContact CB-CB 4.33Å; V328-A388 HydrophobicContact CG2-CB 3.76Å; V328-I391 HydrophobicContact CB-CD1 4.3Å; V328-I391 HydrophobicContact CG1-CD1 3.93Å
329T98.7Very high98.2Very high0 Ų017.9 Ų17.90%013%0.126CC..  trans-120.9136.7178.356.90000111.4P278 L283 L321 R361 I365 V383P278-T329 HydrophobicContact CG-CG2 4.37Å; L283-T329 HydrophobicContact CD1-CG2 3.77Å; L321-T329 HydrophobicContact CD1-CG2 3.97Å; L321-T329 HydrophobicContact CD2-CG2 3.52Å; L321-T329 HydrophobicContact CG-CG2 4.4Å; T329-R361 PolarHBondContact OG1-NH1 3.09Å; T329-I365 HydrophobicContact CG2-CD1 3.71Å; T329-I365 WeakPolarHBondContact OG1-CD1 3.45Å; T329-V383 PolarHBondContact N-O 3.11Å; T329-V383 PolarHBondContact OG1-O 2.96Å
330G98.6Very high98.1Very high0 Ų016.7 Ų16.70%012%0.117CC..BIsolated β-bridgetrans-115.6175.2163.100000110.4D71 E277 I279 T280D71-G330 VanDerWaalsContact OD1-CA 3.25Å; D71-G330 WeakPolarHBondContact OD1-CA 3.28Å; E277-G330 WeakPolarHBondContact OE1-CA 3.43Å; E277-G330 PolarHBondContact OE1-N 3.04Å; I279-G330 WeakPolarHBondContact CA-O 3.48Å; T280-G330 PolarHBondContact N-O 3.01Å; T280-G330 VanDerWaalsContact N-O 3.14Å
331S98.6Very high98.1Very high0 Ų016.3 Ų16.30%012%0.115CC..  trans-94.7-25.8168.960.20000113.1D71 H73 T280 H333 G357D71-S331 PolarHBondContact OD1-N 3.47Å; D71-S331 PolarHBondContact OD1-OG 3.32Å; D71-S331 WeakPolarHBondContact OD2-CB 3.22Å; D71-S331 PolarHBondContact OD2-N 3.15Å; D71-S331 PolarHBondContact OD2-OG 3.5Å; H73-S331 PolarHBondContact O-OG 3.12Å; T280-S331 WeakPolarHBondContact OG1-CA 3.23Å; S331-H333 PolarHBondContact O-N 2.84Å; S331-H333 VanDerWaalsContact OG-CB 3.27Å; S331-H333 WeakPolarHBondContact OG-CB 3.44Å; S331-H333 PolarHBondContact OG-N 3Å; S331-G357 VanDerWaalsContact CB-C 3.44Å
332A98.2Very high98.1Very high5 Ų517.9 Ų17.94%0.04113%0.128CC..  trans47.638.2-162.400000111.8H73 R254 I279 C334H73-A332 WeakPolarHBondContact O-CA 3.49Å; H73-A332 PolarHBondContact O-N 3.29Å; R254-A332 HydrophobicContact CG-CB 3.87Å; I279-A332 HydrophobicContact CB-CB 4.42Å; I279-A332 HydrophobicContact CD1-CB 3.95Å; I279-A332 HydrophobicContact CG2-CB 3.84Å; A332-C334 PolarHBondContact O-N 3.08Å; A332-C334 VanDerWaalsContact O-N 3.11Å
333H98.8Very high98Very high2 Ų221.5 Ų21.51%0.00914%0.143CC..BIsolated β-bridgetrans-61.1116.1-176.7-173.5102.4000110.4H75 F76 D87 S331 T335 V355 N356 G357 V358H75-H333 PolarHBondContact N-O 3.36Å; F76-H333 HydrophobicContact CE1-CB 4.43Å; F76-H333 AromaticContact CE1-CD2 3.54Å; D87-H333 IonicContact OD2-CE1 3.74Å; D87-H333 IonicContact OD2-NE2 2.69Å; D87-H333 PolarHBondContact OD2-NE2 3.49Å; S331-H333 PolarHBondContact O-N 2.84Å; S331-H333 VanDerWaalsContact OG-CB 3.27Å; S331-H333 WeakPolarHBondContact OG-CB 3.44Å; S331-H333 PolarHBondContact OG-N 3Å; H333-T335 VanDerWaalsContact CE1-CG2 3.43Å; H333-T335 WeakPolarHBondContact CE1-CG2 3.28Å; H333-T335 VanDerWaalsContact NE2-CG2 3.28Å; H333-T335 WeakPolarHBondContact NE2-CG2 3.23Å; H333-T335 PolarHBondContact NE2-OG1 3.02Å; H333-V355 WeakPolarHBondContact CA-O 3.47Å; H333-N356 WeakPolarHBondContact ND1-CA 3.3Å; H333-G357 PolarHBondContact ND1-N 3.33Å; H333-G357 VanDerWaalsContact ND1-N 3.16Å; H333-V358 HydrophobicContact CB-CB 3.88Å; H333-V358 HydrophobicContact CB-CG1 4.39Å; H333-V358 WeakPolarHBondContact ND1-CG1 3.47Å; H333-V358 PolarHBondContact ND1-N 3.15Å
334C98.4Very high98Very high7 Ų718.1 Ų18.15%0.04712%0.119CC..  trans-149.490.2-177.8-174.60000107.4H75 T85 A332 G354 V355H75-C334 HydrophobicContact CB-CB 3.85Å; T85-C334 VanDerWaalsContact CG2-SG 3.58Å; A332-C334 PolarHBondContact O-N 3.08Å; A332-C334 VanDerWaalsContact O-N 3.11Å; C334-G354 CarbonylContact O-C 3.29Å; C334-G354 WeakPolarHBondContact O-CA 3.38Å; C334-V355 PolarHBondContact N-O 2.77Å; C334-V355 PolarHBondContact O-N 2.93Å
335T97.9Very high98.1Very high0 Ų022.5 Ų22.50%013%0.133CC..  trans-100.2139.9-168.147.20000112.2T85 V86 D87 H333 N356 A429T85-T335 CarbonylContact C-O 3.6Å; T85-T335 WeakPolarHBondContact CA-O 3.27Å; T85-T335 VanDerWaalsContact CB-O 3.26Å; T85-T335 WeakPolarHBondContact CB-O 3.27Å; V86-T335 WeakPolarHBondContact CG2-OG1 3.22Å; V86-T335 PolarHBondContact N-O 3.26Å; D87-T335 WeakPolarHBondContact CB-OG1 3.22Å; D87-T335 PolarHBondContact OD2-OG1 2.95Å; H333-T335 VanDerWaalsContact CE1-CG2 3.43Å; H333-T335 WeakPolarHBondContact CE1-CG2 3.28Å; H333-T335 VanDerWaalsContact NE2-CG2 3.28Å; H333-T335 WeakPolarHBondContact NE2-CG2 3.23Å; H333-T335 PolarHBondContact NE2-OG1 3.02Å; T335-N356 HydrophobicContact CG2-CB 3.7Å; T335-A429 HydrophobicContact CG2-CB 3.97Å
336F98.4Very high98Very high0 Ų026.3 Ų26.30%015%0.153CC..  trans-126.9149.2173-64.2-81.7000108.7M78 Y80 T83 T85 Q340 K341 P352 E353 Y431M78-F336 HydrophobicContact CE-CZ 4.19Å; Y80-F336 HydrophobicContact CD1-CE1 4.24Å; Y80-F336 HydrophobicContact CD1-CZ 4.23Å; Y80-F336 HydrophobicContact CD2-CZ 4.4Å; Y80-F336 HydrophobicContact CG-CE1 4.18Å; Y80-F336 AromaticContact CG-CZ 3.95Å; Y80-F336 HydrophobicContact CG-CZ 3.95Å; T83-F336 HydrophobicContact CG2-CE1 4.4Å; T85-F336 HydrophobicContact CG2-CE1 4.07Å; T85-F336 HydrophobicContact CG2-CE2 4.36Å; T85-F336 HydrophobicContact CG2-CZ 3.9Å; F336-Q340 HydrophobicContact CB-CB 3.92Å; F336-Q340 HydrophobicContact CD1-CB 4.28Å; F336-K341 HydrophobicContact CB-CD 4.36Å; F336-K341 HydrophobicContact CB-CG 4.26Å; F336-P352 HydrophobicContact CB-CB 4.41Å; F336-P352 HydrophobicContact CD1-CB 3.67Å; F336-P352 HydrophobicContact CD1-CG 4.25Å; F336-P352 HydrophobicContact CD2-CB 3.56Å; F336-P352 HydrophobicContact CE1-CB 3.7Å; F336-P352 HydrophobicContact CE1-CG 4.47Å; F336-P352 HydrophobicContact CE2-CB 3.58Å; F336-P352 HydrophobicContact CG-CB 3.6Å; F336-P352 HydrophobicContact CG-CG 4.4Å; F336-P352 HydrophobicContact CZ-CB 3.65Å; F336-E353 WeakPolarHBondContact CE2-O 3.41Å; F336-Y431 WeakPolarHBondContact O-CE1 3.29Å; F336-Y431 PolarHBondContact O-OH 2.87Å
337S97.9Very high98Very high22 Ų2228.4 Ų28.415%0.15416%0.164CC..  trans-68164.3172.268.30000111.3A339 Q340 K341S337-A339 PolarHBondContact O-N 3.18Å; S337-Q340 PolarHBondContact O-N 2.93Å; S337-Q340 VanDerWaalsContact O-N 3.14Å; S337-Q340 WeakPolarHBondContact OG-CG 3.31Å; S337-Q340 PolarHBondContact OG-N 3.39Å; S337-Q340 VanDerWaalsContact OG-N 3.11Å; S337-K341 PolarHBondContact O-N 2.57Å
338V97.1Very high98.1Very high49 Ų4928.2 Ų28.230%0.29716%0.163SC..Hα-helixtrans-59.5-35.6174.4177.90000110.8A296 K341 A342 E430 Y431A296-V338 HydrophobicContact CB-CG1 3.87Å; V338-K341 PolarHBondContact O-N 3.32Å; V338-A342 WeakPolarHBondContact O-CB 3.44Å; V338-A342 PolarHBondContact O-N 3.18Å; V338-E430 HydrophobicContact CG2-CB 4.47Å; V338-E430 PolarHBondContact N-OE2 3.13Å; V338-Y431 HydrophobicContact CG2-CD1 4.01Å
339A97.3Very high98.1Very high74 Ų7429.4 Ų29.461%0.61217%0.17SC*.Hα-helixtrans-66.3-40.7176.100000112.8S337 A342S337-A339 PolarHBondContact O-N 3.18Å; A339-A342 WeakPolarHBondContact O-CB 3.29Å; A339-A342 PolarHBondContact O-N 2.93Å
340Q98.2Very high98Very high31 Ų3133 Ų3315%0.14519%0.187CC..Hα-helixtrans-66.8-41.8174.2-74.4169.5-29.700111.4T83 T84 V86 F336 S337 A342 I343 P352T83-Q340 PolarHBondContact OG1-NE2 2.82Å; T84-Q340 PolarHBondContact O-NE2 3.37Å; V86-Q340 VanDerWaalsContact CG1-OE1 3.26Å; F336-Q340 HydrophobicContact CB-CB 3.92Å; F336-Q340 HydrophobicContact CD1-CB 4.28Å; S337-Q340 PolarHBondContact O-N 2.93Å; S337-Q340 VanDerWaalsContact O-N 3.14Å; S337-Q340 WeakPolarHBondContact OG-CG 3.31Å; S337-Q340 PolarHBondContact OG-N 3.39Å; S337-Q340 VanDerWaalsContact OG-N 3.11Å; Q340-A342 PolarHBondContact O-N 3.27Å; Q340-I343 WeakPolarHBondContact O-CB 3.28Å; Q340-I343 WeakPolarHBondContact O-CD1 3.35Å; Q340-I343 WeakPolarHBondContact O-CG1 3.31Å; Q340-I343 PolarHBondContact O-N 3.08Å; Q340-P352 WeakPolarHBondContact O-CD 3.35Å; Q340-P352 WeakPolarHBondContact O-CG 3.24Å
341K98.2Very high98Very high2 Ų233.1 Ų33.11%0.00919%0.187CC..Hα-helixtrans-55.4-42.2172.4-71.1-70.2-170.6170.90111.2W295 A299 V302 F336 S337 V338 I343 G344 I351 P352 G354 Y431W295-K341 WeakPolarHBondContact CH2-O 3.45Å; A299-K341 HydrophobicContact CB-CB 4.31Å; A299-K341 WeakPolarHBondContact O-CD 3.38Å; A299-K341 PolarHBondContact O-NZ 3.39Å; V302-K341 PolarHBondContact O-NZ 3.36Å; F336-K341 HydrophobicContact CB-CD 4.36Å; F336-K341 HydrophobicContact CB-CG 4.26Å; S337-K341 PolarHBondContact O-N 2.57Å; V338-K341 PolarHBondContact O-N 3.32Å; K341-I343 PolarHBondContact O-N 3.01Å; K341-G344 PolarHBondContact O-N 2.94Å; K341-I351 HydrophobicContact CD-CG2 3.66Å; K341-P352 WeakPolarHBondContact CD-O 3.31Å; K341-P352 WeakPolarHBondContact CE-O 3.41Å; K341-P352 PolarHBondContact NZ-O 2.83Å; K341-G354 PolarHBondContact NZ-O 3.22Å; K341-Y431 WeakPolarHBondContact CE-OH 3.22Å
342A97.6Very high98Very high33 Ų3333.1 Ų33.127%0.27319%0.187SC..G310 helixtrans-62.6-7.1-179.100000115.9W295 V338 A339 Q340 G344 K345W295-A342 VanDerWaalsContact CH2-CA 3.48Å; W295-A342 HydrophobicContact CH2-CB 4.33Å; W295-A342 HydrophobicContact CZ3-CB 4.07Å; V338-A342 WeakPolarHBondContact O-CB 3.44Å; V338-A342 PolarHBondContact O-N 3.18Å; A339-A342 WeakPolarHBondContact O-CB 3.29Å; A339-A342 PolarHBondContact O-N 2.93Å; Q340-A342 PolarHBondContact O-N 3.27Å; A342-G344 PolarHBondContact O-N 3.11Å; A342-K345 WeakPolarHBondContact O-CB 3.41Å; A342-K345 WeakPolarHBondContact O-CG 3.38Å; A342-K345 PolarHBondContact O-N 3.37Å; A342-K345 VanDerWaalsContact O-N 3.11Å
343I97.4Very high97.9Very high100 Ų10034.2 Ų34.251%0.51319%0.192SC..G310 helixtrans-52.4-38.9167.4-67.2169.3000110.5Q340 K341 Q350 P352Q340-I343 WeakPolarHBondContact O-CB 3.28Å; Q340-I343 WeakPolarHBondContact O-CD1 3.35Å; Q340-I343 WeakPolarHBondContact O-CG1 3.31Å; Q340-I343 PolarHBondContact O-N 3.08Å; K341-I343 PolarHBondContact O-N 3.01Å; I343-Q350 HydrophobicContact CG2-CB 4.36Å; I343-P352 HydrophobicContact CD1-CG 4.41Å
344G97.4Very high97.9Very high0 Ų034.2 Ų34.20%019%0.193CC..G310 helixtrans-96.426.3178.400000115.5K341 A342 D346 D347K341-G344 PolarHBondContact O-N 2.94Å; A342-G344 PolarHBondContact O-N 3.11Å; G344-D346 PolarHBondContact O-N 3.23Å; G344-D347 CarbonylContact C-O 3.59Å; G344-D347 WeakPolarHBondContact CA-O 3.3Å; G344-D347 CarbonylContact O-C 3.49Å; G344-D347 VanDerWaalsContact O-C 3.24Å; G344-D347 PolarHBondContact O-N 3.01Å; G344-D347 VanDerWaalsContact O-O 3.05Å
345K97.9Very high97.9Very high113 Ų11333.9 Ų33.949%0.49119%0.19SC..THydrogen-bonded Turntrans-58.9-30.3-177.771.3-178.5-174.7670114.7W295 A342W295-K345 HydrophobicContact CH2-CB 4.3Å; W295-K345 HydrophobicContact CZ2-CB 4.06Å; A342-K345 WeakPolarHBondContact O-CB 3.41Å; A342-K345 WeakPolarHBondContact O-CG 3.38Å; A342-K345 PolarHBondContact O-N 3.37Å; A342-K345 VanDerWaalsContact O-N 3.11Å
346D98.1Very high97.9Very high109 Ų10933.9 Ų33.958%0.58319%0.19SC*.THydrogen-bonded Turntrans-109.3-0.2179.7-53-49000112.4T218 G344T218-D346 VanDerWaalsContact CB-O 3.27Å; T218-D346 WeakPolarHBondContact CB-O 3.38Å; T218-D346 WeakPolarHBondContact CG2-O 3.46Å; G344-D346 PolarHBondContact O-N 3.23Å
347D98.5Very high97.9Very high44 Ų4433.9 Ų33.924%0.23519%0.19CC..  trans-157.7106.2-178.9-178.8-11.8000109.9G344 T349 Q350G344-D347 CarbonylContact C-O 3.59Å; G344-D347 WeakPolarHBondContact CA-O 3.3Å; G344-D347 CarbonylContact O-C 3.49Å; G344-D347 VanDerWaalsContact O-C 3.24Å; G344-D347 PolarHBondContact O-N 3.01Å; G344-D347 VanDerWaalsContact O-O 3.05Å; D347-T349 PolarHBondContact O-N 3Å; D347-T349 VanDerWaalsContact O-N 3.1Å; D347-T349 VanDerWaalsContact OD1-CB 3.31Å; D347-T349 WeakPolarHBondContact OD1-CB 3.44Å; D347-T349 WeakPolarHBondContact OD1-CG2 3.41Å; D347-T349 PolarHBondContact OD1-N 2.78Å; D347-T349 PolarHBondContact OD1-OG1 3.14Å; D347-T349 PolarHBondContact OD2-OG1 3.01Å; D347-Q350 HydrophobicContact CB-CG 4.14Å; D347-Q350 PolarHBondContact O-N 3.19Å
348F98.6Very high97.9Very high1 Ų132.9 Ų32.90%0.00418%0.183CC..G310 helixtrans-59.6-23.4-17873.1-95.1000114Q209 M212 L213 I217 T218 G219 G222 H223 Q350 I351Q209-F348 HydrophobicContact CB-CZ 4.37Å; Q209-F348 HydrophobicContact CG-CE2 4.02Å; Q209-F348 HydrophobicContact CG-CZ 4.23Å; M212-F348 HydrophobicContact CB-CE1 3.72Å; M212-F348 HydrophobicContact CB-CZ 3.85Å; M212-F348 HydrophobicContact CG-CZ 4.29Å; L213-F348 HydrophobicContact CD2-CD1 4.03Å; L213-F348 HydrophobicContact CD2-CE1 3.84Å; L213-F348 HydrophobicContact CG-CE1 4.07Å; I217-F348 WeakPolarHBondContact O-CE1 3.17Å; T218-F348 PolarHBondContact O-N 2.88Å; G219-F348 VanDerWaalsContact O-CB 3.3Å; G219-F348 WeakPolarHBondContact O-CB 3.27Å; G222-F348 VanDerWaalsContact C-CE2 3.48Å; G222-F348 WeakPolarHBondContact O-CE2 3.03Å; G222-F348 WeakPolarHBondContact O-CZ 3.49Å; H223-F348 VanDerWaalsContact CA-CD2 3.4Å; H223-F348 HydrophobicContact CB-CD2 3.79Å; H223-F348 HydrophobicContact CB-CE2 4.38Å; H223-F348 HydrophobicContact CB-CG 4.47Å; H223-F348 VanDerWaalsContact N-CD2 3.32Å; F348-Q350 PolarHBondContact O-N 2.89Å; F348-I351 HydrophobicContact CB-CD1 4.1Å; F348-I351 PolarHBondContact O-N 2.85Å
349T97.9Very high98Very high26 Ų2631.7 Ų31.716%0.1617%0.174CC..G310 helixtrans-71-12.8178.872.70000112.9Q209 L213 D347Q209-T349 HydrophobicContact CB-CG2 4Å; Q209-T349 HydrophobicContact CG-CG2 4.07Å; L213-T349 HydrophobicContact CD1-CG2 4.01Å; D347-T349 PolarHBondContact O-N 3Å; D347-T349 VanDerWaalsContact O-N 3.1Å; D347-T349 VanDerWaalsContact OD1-CB 3.31Å; D347-T349 WeakPolarHBondContact OD1-CB 3.44Å; D347-T349 WeakPolarHBondContact OD1-CG2 3.41Å; D347-T349 PolarHBondContact OD1-N 2.78Å; D347-T349 PolarHBondContact OD1-OG1 3.14Å; D347-T349 PolarHBondContact OD2-OG1 3.01Å
350Q97.6Very high98.1Very high76 Ų7628.4 Ų28.436%0.35515%0.146SC..G310 helixtrans-102.1-2177.7-55.2-54.9-45.300112.9I343 D347 F348 P352I343-Q350 HydrophobicContact CG2-CB 4.36Å; D347-Q350 HydrophobicContact CB-CG 4.14Å; D347-Q350 PolarHBondContact O-N 3.19Å; F348-Q350 PolarHBondContact O-N 2.89Å; Q350-P352 VanDerWaalsContact O-CD 3.27Å; Q350-P352 WeakPolarHBondContact O-CD 3.5Å
351I98.4Very high98.1Very high1 Ų127 Ų271%0.00514%0.14CC..SBendtrans-70.9121.5174.5-58.9173.4000107.7P220 W295 A299 V302 K341 F348 E353P220-I351 HydrophobicContact CB-CD1 4.44Å; P220-I351 HydrophobicContact CG-CD1 3.94Å; W295-I351 HydrophobicContact CZ2-CD1 3.78Å; W295-I351 HydrophobicContact CZ2-CG1 4.09Å; A299-I351 HydrophobicContact CB-CD1 4.28Å; A299-I351 HydrophobicContact CB-CG2 4.41Å; V302-I351 HydrophobicContact CB-CG2 3.87Å; V302-I351 HydrophobicContact CG1-CB 4.17Å; V302-I351 HydrophobicContact CG1-CG2 3.88Å; V302-I351 HydrophobicContact CG2-CD1 4.14Å; V302-I351 HydrophobicContact CG2-CG2 4.09Å; K341-I351 HydrophobicContact CD-CG2 3.66Å; F348-I351 HydrophobicContact CB-CD1 4.1Å; F348-I351 PolarHBondContact O-N 2.85Å; I351-E353 PolarHBondContact O-N 3.13Å
352P97.7Very high98.1Very high0 Ų026.9 Ų26.90%014%0.139CC..PPolyproline II helixtrans-53.9126.5172.4-26.334.7000111.6Y80 F336 Q340 K341 I343 Q350Y80-P352 HydrophobicContact CD1-CB 3.92Å; Y80-P352 HydrophobicContact CD1-CG 4.15Å; Y80-P352 HydrophobicContact CE1-CB 3.69Å; Y80-P352 HydrophobicContact CE1-CG 3.9Å; F336-P352 HydrophobicContact CB-CB 4.41Å; F336-P352 HydrophobicContact CD1-CB 3.67Å; F336-P352 HydrophobicContact CD1-CG 4.25Å; F336-P352 HydrophobicContact CD2-CB 3.56Å; F336-P352 HydrophobicContact CE1-CB 3.7Å; F336-P352 HydrophobicContact CE1-CG 4.47Å; F336-P352 HydrophobicContact CE2-CB 3.58Å; F336-P352 HydrophobicContact CG-CB 3.6Å; F336-P352 HydrophobicContact CG-CG 4.4Å; F336-P352 HydrophobicContact CZ-CB 3.65Å; Q340-P352 WeakPolarHBondContact O-CD 3.35Å; Q340-P352 WeakPolarHBondContact O-CG 3.24Å; K341-P352 WeakPolarHBondContact CD-O 3.31Å; K341-P352 WeakPolarHBondContact CE-O 3.41Å; K341-P352 PolarHBondContact NZ-O 2.83Å; I343-P352 HydrophobicContact CD1-CG 4.41Å; Q350-P352 VanDerWaalsContact O-CD 3.27Å; Q350-P352 WeakPolarHBondContact O-CD 3.5Å
353E97.1Very high98.2Very high28 Ų2825.8 Ų25.813%0.13113%0.129CC..PPolyproline II helixtrans-86.9122.6-175-61.9176.7165.100110.2Y170 H223 R227 V302 S304 F336 I351Y170-E353 WeakPolarHBondContact CE1-OE2 3.31Å; Y170-E353 PolarHBondContact OH-OE2 3.15Å; H223-E353 IonicContact CE1-OE1 3.6Å; H223-E353 PolarHBondContact CE1-OE1 2.93Å; H223-E353 IonicContact ND1-OE1 2.76Å; R227-E353 IonicContact CZ-OE1 3.42Å; R227-E353 IonicContact NH1-OE1 2.71Å; R227-E353 PolarHBondContact NH1-OE1 3.01Å; R227-E353 IonicContact NH1-OE2 3.71Å; R227-E353 IonicContact NH2-OE1 2.91Å; R227-E353 PolarHBondContact NH2-OE1 3.07Å; V302-E353 HydrophobicContact CG1-CG 4.18Å; S304-E353 VanDerWaalsContact CB-OE2 3.22Å; S304-E353 WeakPolarHBondContact CB-OE2 3.36Å; F336-E353 WeakPolarHBondContact CE2-O 3.41Å; I351-E353 PolarHBondContact O-N 3.13Å
354G97.6Very high98.2Very high3 Ų321 Ų213%0.03111%0.105CC..  trans156.6152.6-179.500000114.1V302 C334 K341V302-G354 PolarHBondContact O-N 3.18Å; C334-G354 CarbonylContact O-C 3.29Å; C334-G354 WeakPolarHBondContact O-CA 3.38Å; K341-G354 PolarHBondContact NZ-O 3.22Å
355V98.4Very high98.3Very high0 Ų021 Ų210%011%0.105CC..BIsolated β-bridgetrans-138.7166.6-177.7-65.70000111.4A281 T303 H333 C334 V433A281-V355 HydrophobicContact CB-CG2 3.84Å; T303-V355 HydrophobicContact CG2-CG1 4.36Å; H333-V355 WeakPolarHBondContact CA-O 3.47Å; C334-V355 PolarHBondContact N-O 2.77Å; C334-V355 PolarHBondContact O-N 2.93Å; V355-V433 HydrophobicContact CB-CG1 4.04Å; V355-V433 HydrophobicContact CB-CG2 4.42Å; V355-V433 HydrophobicContact CG1-CG1 3.88Å
356N98.6Very high98.3Very high0 Ų016.2 Ų16.20%08%0.083CC..  trans-81.3170171.471.6-79.5000111.9H333 T335 E360 N432 V433H333-N356 WeakPolarHBondContact ND1-CA 3.3Å; T335-N356 HydrophobicContact CG2-CB 3.7Å; N356-E360 PolarHBondContact ND2-OE2 3.5Å; N356-E360 VanDerWaalsContact ND2-OE2 3.16Å; N356-N432 PolarHBondContact ND2-ND2 3.23Å; N356-N432 PolarHBondContact ND2-OD1 3.4Å; N356-N432 WeakPolarHBondContact OD1-CA 3.35Å; N356-V433 PolarHBondContact OD1-N 2.86Å
357G98.4Very high98.3Very high0 Ų012.1 Ų12.10%06%0.062CC..  trans163.2-20.4179.400000116.5S331 H333 E359 E360 R361S331-G357 VanDerWaalsContact CB-C 3.44Å; H333-G357 PolarHBondContact ND1-N 3.33Å; H333-G357 VanDerWaalsContact ND1-N 3.16Å; G357-E359 VanDerWaalsContact C-N 3.3Å; G357-E359 PolarHBondContact O-N 3.1Å; G357-E360 VanDerWaalsContact CA-OE2 3.26Å; G357-E360 WeakPolarHBondContact CA-OE2 3.47Å; G357-E360 PolarHBondContact N-OE2 3.02Å; G357-E360 PolarHBondContact O-N 3.49Å; G357-R361 WeakPolarHBondContact O-CB 3.44Å; G357-R361 PolarHBondContact O-N 2.77Å
358V98.8Very high98.3Very high0 Ų012.9 Ų12.90%06%0.063CC..THydrogen-bonded Turntrans-58.3-37.9-174.871.50000113.7T74 F76 A95 A96 I104 H333T74-V358 HydrophobicContact CG2-CG2 4.34Å; F76-V358 HydrophobicContact CZ-CG1 4.43Å; F76-V358 HydrophobicContact CZ-CG2 4.15Å; A95-V358 HydrophobicContact CB-CG1 3.87Å; A96-V358 HydrophobicContact CB-CG2 3.56Å; I104-V358 HydrophobicContact CG2-CG2 4.46Å; H333-V358 HydrophobicContact CB-CB 3.88Å; H333-V358 HydrophobicContact CB-CG1 4.39Å; H333-V358 WeakPolarHBondContact ND1-CG1 3.47Å; H333-V358 PolarHBondContact ND1-N 3.15Å
359E98.7Very high98.3Very high25 Ų2512.9 Ų12.912%0.1176%0.063CC..THydrogen-bonded Turntrans-80.4-36.8178.4-177.9169.2174.900111.7A95 A98 G99 G357 N426A95-E359 HydrophobicContact CB-CB 4.19Å; A95-E359 WeakPolarHBondContact O-CA 3.36Å; A95-E359 WeakPolarHBondContact O-CB 3.37Å; A95-E359 WeakPolarHBondContact O-CG 3.21Å; A98-E359 HydrophobicContact CB-CG 4.32Å; G99-E359 WeakPolarHBondContact CA-O 3.39Å; G357-E359 VanDerWaalsContact C-N 3.3Å; G357-E359 PolarHBondContact O-N 3.1Å; E359-N426 PolarHBondContact OE1-N 2.83Å; E359-N426 PolarHBondContact OE1-ND2 2.82Å; E359-N426 WeakPolarHBondContact OE2-CA 3.38Å; E359-N426 WeakPolarHBondContact OE2-CB 3.25Å; E359-N426 PolarHBondContact OE2-N 3.49Å
360E98.6Very high98.3Very high5 Ų512.7 Ų12.72%0.0236%0.062CC..THydrogen-bonded Turntrans-81.4-20.2-175.2-61.679.6-167.600113.4T280 N356 G357 M362 V363 L364 I420 N432 F434T280-E360 HydrophobicContact CG2-CB 4.32Å; N356-E360 PolarHBondContact ND2-OE2 3.5Å; N356-E360 VanDerWaalsContact ND2-OE2 3.16Å; G357-E360 VanDerWaalsContact CA-OE2 3.26Å; G357-E360 WeakPolarHBondContact CA-OE2 3.47Å; G357-E360 PolarHBondContact N-OE2 3.02Å; G357-E360 PolarHBondContact O-N 3.49Å; E360-M362 PolarHBondContact O-N 2.79Å; E360-V363 WeakPolarHBondContact O-CG1 3.48Å; E360-V363 PolarHBondContact O-N 3.14Å; E360-L364 VanDerWaalsContact O-CB 3.24Å; E360-L364 WeakPolarHBondContact O-CB 3.27Å; E360-L364 PolarHBondContact O-N 3.04Å; E360-I420 HydrophobicContact CG-CD1 4.32Å; E360-I420 HydrophobicContact CG-CG2 3.9Å; E360-N432 PolarHBondContact OE1-ND2 3.16Å; E360-F434 HydrophobicContact CB-CD2 3.98Å; E360-F434 HydrophobicContact CB-CE2 4.2Å; E360-F434 HydrophobicContact CG-CD2 3.9Å; E360-F434 HydrophobicContact CG-CE2 4.48Å
361R98.8Very high98.3Very high0 Ų012 Ų120%06%0.063CC..Hα-helixtrans-48.2-52.9-169.6-174.6176.266.288.59.8113.7I70 D71 T101 T280 T329 G357 I365 T384I70-R361 PolarHBondContact O-NH1 2.96Å; D71-R361 IonicContact OD2-NE 3.51Å; T101-R361 PolarHBondContact OG1-NH2 2.99Å; T280-R361 HydrophobicContact CG2-CB 4.31Å; T280-R361 WeakPolarHBondContact OG1-CB 3.33Å; T280-R361 WeakPolarHBondContact OG1-CG 3.24Å; T329-R361 PolarHBondContact OG1-NH1 3.09Å; G357-R361 WeakPolarHBondContact O-CB 3.44Å; G357-R361 PolarHBondContact O-N 2.77Å; R361-I365 HydrophobicContact CG-CD1 3.8Å; R361-I365 WeakPolarHBondContact O-CD1 3.41Å; R361-I365 VanDerWaalsContact O-CG1 3.23Å; R361-I365 WeakPolarHBondContact O-CG1 3.12Å; R361-I365 PolarHBondContact O-N 3.3Å; R361-I365 VanDerWaalsContact O-N 3.13Å; R361-T384 PolarHBondContact NH1-O 3.09Å; R361-T384 VanDerWaalsContact NH1-O 3.14Å
362M98.8Very high98.2Very high0 Ų015.9 Ų15.90%09%0.087CC..Hα-helixtrans-64.8-49.5-175.4-67.4-70-70.400111.8I66 G99 E360 L364 W366 F380 T384 W412I66-M362 HydrophobicContact CD1-CE 3.69Å; G99-M362 WeakPolarHBondContact O-CB 3.33Å; G99-M362 WeakPolarHBondContact O-CG 3.25Å; E360-M362 PolarHBondContact O-N 2.79Å; M362-L364 VanDerWaalsContact C-N 3.35Å; M362-L364 PolarHBondContact O-N 3.5Å; M362-W366 WeakPolarHBondContact O-CB 3.44Å; M362-W366 PolarHBondContact O-N 2.94Å; M362-F380 HydrophobicContact CB-CZ 4.47Å; M362-F380 HydrophobicContact CE-CE1 3.78Å; M362-F380 HydrophobicContact CE-CZ 3.58Å; M362-F380 WeakPolarHBondContact O-CE2 3.47Å; M362-F380 HydrophobicContact SD-CZ 4.2Å; M362-T384 HydrophobicContact SD-CG2 3.94Å; M362-W412 HydrophobicContact CB-CH2 3.81Å; M362-W412 HydrophobicContact CB-CZ3 3.85Å
363V98.5Very high98.3Very high11 Ų1119 Ų197%0.06712%0.118CC..Hα-helixtrans-68-36.8-177.9550000111.6E360 W366 D367 W412 I420 L439 G441E360-V363 WeakPolarHBondContact O-CG1 3.48Å; E360-V363 PolarHBondContact O-N 3.14Å; V363-W366 PolarHBondContact O-N 3.35Å; V363-D367 WeakPolarHBondContact O-CB 3.39Å; V363-D367 PolarHBondContact O-N 2.77Å; V363-W412 HydrophobicContact CB-CH2 4.08Å; V363-I420 HydrophobicContact CG1-CD1 4.31Å; V363-L439 HydrophobicContact CG1-CD1 4.23Å; V363-L439 HydrophobicContact CG2-CB 3.56Å; V363-L439 HydrophobicContact CG2-CD1 4.06Å; V363-L439 HydrophobicContact CG2-CG 4.48Å; V363-G441 WeakPolarHBondContact CG2-O 3.47Å
364L98.4Very high98.3Very high0 Ų020.7 Ų20.70%013%0.125CC..Hα-helixtrans-66.1-47179.6-168.8143000111.8T280 L283 G284 E360 M362 W366 D367 K368 F434 L439T280-L364 HydrophobicContact CG2-CB 4.24Å; T280-L364 HydrophobicContact CG2-CD1 4.06Å; T280-L364 HydrophobicContact CG2-CD2 4.41Å; T280-L364 HydrophobicContact CG2-CG 4.46Å; L283-L364 HydrophobicContact CB-CD2 4.02Å; G284-L364 VanDerWaalsContact CA-CD2 3.44Å; E360-L364 VanDerWaalsContact O-CB 3.24Å; E360-L364 WeakPolarHBondContact O-CB 3.27Å; E360-L364 PolarHBondContact O-N 3.04Å; M362-L364 VanDerWaalsContact C-N 3.35Å; M362-L364 PolarHBondContact O-N 3.5Å; L364-W366 VanDerWaalsContact C-N 3.31Å; L364-W366 PolarHBondContact O-N 3.49Å; L364-D367 PolarHBondContact O-N 3.49Å; L364-K368 HydrophobicContact CD2-CG 4.15Å; L364-K368 HydrophobicContact CG-CG 4.32Å; L364-K368 WeakPolarHBondContact O-CB 3.29Å; L364-K368 VanDerWaalsContact O-CG 3.26Å; L364-K368 WeakPolarHBondContact O-CG 3.06Å; L364-K368 PolarHBondContact O-N 3.17Å; L364-F434 HydrophobicContact CD1-CD1 3.45Å; L364-F434 VanDerWaalsContact CD1-CD1 3.45Å; L364-F434 HydrophobicContact CD1-CD2 4.33Å; L364-F434 HydrophobicContact CD1-CE1 3.47Å; L364-F434 VanDerWaalsContact CD1-CE1 3.47Å; L364-F434 HydrophobicContact CD1-CE2 4.35Å; L364-F434 HydrophobicContact CD1-CG 3.91Å; L364-F434 HydrophobicContact CD1-CZ 3.94Å; L364-L439 HydrophobicContact CB-CD1 4.27Å
365I98.5Very high98.3Very high0 Ų021.1 Ų21.10%013%0.127CC..Hα-helixtrans-65-39.9177.7-62.3163.4000110L283 L321 T329 R361 A369 M375 F380 V383 T384L283-I365 HydrophobicContact CD1-CD1 4.38Å; L283-I365 HydrophobicContact CD1-CG1 4.02Å; L321-I365 HydrophobicContact CD2-CG2 4.47Å; T329-I365 HydrophobicContact CG2-CD1 3.71Å; T329-I365 WeakPolarHBondContact OG1-CD1 3.45Å; R361-I365 HydrophobicContact CG-CD1 3.8Å; R361-I365 WeakPolarHBondContact O-CD1 3.41Å; R361-I365 VanDerWaalsContact O-CG1 3.23Å; R361-I365 WeakPolarHBondContact O-CG1 3.12Å; R361-I365 PolarHBondContact O-N 3.3Å; R361-I365 VanDerWaalsContact O-N 3.13Å; I365-A369 WeakPolarHBondContact O-CB 3.4Å; I365-A369 PolarHBondContact O-N 2.88Å; I365-M375 HydrophobicContact CG2-SD 4.25Å; I365-F380 HydrophobicContact CB-CD2 4.4Å; I365-F380 HydrophobicContact CB-CE2 4.13Å; I365-F380 HydrophobicContact CG2-CD2 3.88Å; I365-F380 HydrophobicContact CG2-CE2 4.12Å; I365-V383 HydrophobicContact CG2-CG2 4.41Å; I365-T384 HydrophobicContact CD1-CG2 3.9Å; I365-T384 HydrophobicContact CG2-CG2 4.41Å
366W98.8Very high98.3Very high11 Ų1125.6 Ų25.64%0.04215%0.15CC..Iπ-helixtrans-59.3-50.8176-177.3-84.6000112.1M64 M362 V363 L364 V370 T371 E377 F380 W412 T414M64-W366 HydrophobicContact CE-CH2 3.67Å; M64-W366 HydrophobicContact CE-CZ3 3.65Å; M64-W366 HydrophobicContact SD-CH2 3.43Å; M64-W366 WeakPolarHBondContact SD-CH2 3.37Å; M64-W366 HydrophobicContact SD-CZ2 4.27Å; M64-W366 HydrophobicContact SD-CZ3 4.06Å; M362-W366 WeakPolarHBondContact O-CB 3.44Å; M362-W366 PolarHBondContact O-N 2.94Å; V363-W366 PolarHBondContact O-N 3.35Å; L364-W366 VanDerWaalsContact C-N 3.31Å; L364-W366 PolarHBondContact O-N 3.49Å; W366-V370 HydrophobicContact CD2-CB 4.04Å; W366-V370 HydrophobicContact CD2-CG1 4.25Å; W366-V370 HydrophobicContact CD2-CG2 4.22Å; W366-V370 HydrophobicContact CE3-CB 4.08Å; W366-V370 HydrophobicContact CE3-CG1 4.16Å; W366-V370 HydrophobicContact CE3-CG2 3.83Å; W366-V370 HydrophobicContact CG-CB 4.45Å; W366-V370 HydrophobicContact CH2-CG1 3.74Å; W366-V370 HydrophobicContact CZ2-CB 4.5Å; W366-V370 HydrophobicContact CZ2-CG1 3.84Å; W366-V370 HydrophobicContact CZ3-CB 4.32Å; W366-V370 HydrophobicContact CZ3-CG1 3.91Å; W366-V370 HydrophobicContact CZ3-CG2 4.12Å; W366-V370 WeakPolarHBondContact O-CA 3.46Å; W366-V370 VanDerWaalsContact O-CB 3.3Å; W366-V370 WeakPolarHBondContact O-CB 3.26Å; W366-V370 PolarHBondContact O-N 3Å; W366-T371 PolarHBondContact NE1-OG1 3.4Å; W366-T371 PolarHBondContact O-N 3Å; W366-T371 PolarHBondContact O-OG1 3.36Å; W366-E377 HydrophobicContact CH2-CB 4.23Å; W366-E377 HydrophobicContact CZ3-CB 4.22Å; W366-F380 HydrophobicContact CB-CD2 4.5Å; W366-F380 HydrophobicContact CB-CE2 3.93Å; W366-F380 HydrophobicContact CB-CZ 4.28Å; W366-F380 AromaticContact CE3-CD1 3.75Å; W366-F380 HydrophobicContact CE3-CD1 3.75Å; W366-F380 HydrophobicContact CE3-CD2 4.11Å; W366-F380 AromaticContact CE3-CE1 3.81Å; W366-F380 HydrophobicContact CE3-CE1 3.81Å; W366-F380 HydrophobicContact CE3-CE2 4.17Å; W366-F380 AromaticContact CE3-CG 3.9Å; W366-F380 HydrophobicContact CE3-CG 3.9Å; W366-F380 HydrophobicContact CE3-CZ 4.01Å; W366-F380 AromaticContact CZ3-CD1 3.95Å; W366-F380 HydrophobicContact CZ3-CD1 3.95Å; W366-F380 HydrophobicContact CZ3-CE1 4.3Å; W366-F380 HydrophobicContact CZ3-CG 4.26Å; W366-W412 HydrophobicContact CB-CZ2 3.78Å; W366-W412 HydrophobicContact CD2-CZ2 4.27Å; W366-W412 AromaticContact CD2-NE1 3.32Å; W366-W412 VanDerWaalsContact CD2-NE1 3.32Å; W366-W412 AromaticContact CE2-NE1 3.53Å; W366-W412 AromaticContact CE3-NE1 3.64Å; W366-W412 AromaticContact CG-CZ2 3.84Å; W366-W412 HydrophobicContact CG-CZ2 3.84Å; W366-W412 AromaticContact CG-NE1 3.7Å; W366-W412 AromaticContact NE1-NE1 3.91Å; W366-T414 HydrophobicContact CH2-CG2 3.83Å; W366-T414 HydrophobicContact CZ2-CG2 3.41Å; W366-T414 VanDerWaalsContact CZ2-CG2 3.41Å
367D98.4Very high98.3Very high23 Ų2327.2 Ų27.212%0.12316%0.158CC..Iπ-helixtrans-63.8-50.2179.7-175.879.7000111.6V363 L364 A369 T371 L439 R440V363-D367 WeakPolarHBondContact O-CB 3.39Å; V363-D367 PolarHBondContact O-N 2.77Å; L364-D367 PolarHBondContact O-N 3.49Å; D367-A369 PolarHBondContact O-N 2.86Å; D367-T371 WeakPolarHBondContact O-CB 3.24Å; D367-L439 HydrophobicContact CB-CB 3.99Å; D367-L439 HydrophobicContact CB-CD2 3.87Å; D367-L439 HydrophobicContact CB-CG 4.46Å; D367-L439 VanDerWaalsContact OD2-CD2 3.32Å; D367-L439 WeakPolarHBondContact OD2-CD2 3.4Å; D367-R440 PolarHBondContact OD1-N 3.45Å
368K98Very high98.3Very high61 Ų6128.4 Ų28.427%0.26517%0.165SC..Iπ-helixtrans-76.8-22.4-171.2-61.7-59.9175-131.80114.3L364 T372L364-K368 HydrophobicContact CD2-CG 4.15Å; L364-K368 HydrophobicContact CG-CG 4.32Å; L364-K368 WeakPolarHBondContact O-CB 3.29Å; L364-K368 VanDerWaalsContact O-CG 3.26Å; L364-K368 WeakPolarHBondContact O-CG 3.06Å; L364-K368 PolarHBondContact O-N 3.17Å; K368-T372 WeakPolarHBondContact O-CG2 3.28Å; K368-T372 PolarHBondContact O-OG1 3.45Å
369A97.9Very high98.3Very high0 Ų030.5 Ų30.50%018%0.175CC..Iπ-helixtrans-123.9-38.5-175.400000114.6N318 I365 D367 T372 K374 M375N318-A369 HydrophobicContact CB-CB 4.45Å; I365-A369 WeakPolarHBondContact O-CB 3.4Å; I365-A369 PolarHBondContact O-N 2.88Å; D367-A369 PolarHBondContact O-N 2.86Å; A369-T372 PolarHBondContact O-OG1 2.56Å; A369-K374 HydrophobicContact CB-CB 4.48Å; A369-K374 WeakPolarHBondContact O-CA 3.47Å; A369-K374 WeakPolarHBondContact O-CB 3.34Å; A369-K374 PolarHBondContact O-N 2.93Å; A369-M375 HydrophobicContact CB-CE 3.57Å; A369-M375 HydrophobicContact CB-CG 3.63Å; A369-M375 HydrophobicContact CB-SD 3.7Å; A369-M375 PolarHBondContact O-N 3.33Å
370V98.5Very high98.3Very high23 Ų2329.3 Ų29.314%0.13917%0.169CC..Iπ-helixtrans-82.5-52179.4-175.70000110.6W366 T372 G373 M375 F380W366-V370 HydrophobicContact CD2-CB 4.04Å; W366-V370 HydrophobicContact CD2-CG1 4.25Å; W366-V370 HydrophobicContact CD2-CG2 4.22Å; W366-V370 HydrophobicContact CE3-CB 4.08Å; W366-V370 HydrophobicContact CE3-CG1 4.16Å; W366-V370 HydrophobicContact CE3-CG2 3.83Å; W366-V370 HydrophobicContact CG-CB 4.45Å; W366-V370 HydrophobicContact CH2-CG1 3.74Å; W366-V370 HydrophobicContact CZ2-CB 4.5Å; W366-V370 HydrophobicContact CZ2-CG1 3.84Å; W366-V370 HydrophobicContact CZ3-CB 4.32Å; W366-V370 HydrophobicContact CZ3-CG1 3.91Å; W366-V370 HydrophobicContact CZ3-CG2 4.12Å; W366-V370 WeakPolarHBondContact O-CA 3.46Å; W366-V370 VanDerWaalsContact O-CB 3.3Å; W366-V370 WeakPolarHBondContact O-CB 3.26Å; W366-V370 PolarHBondContact O-N 3Å; V370-T372 PolarHBondContact O-N 3.16Å; V370-G373 PolarHBondContact O-N 2.69Å; V370-M375 WeakPolarHBondContact CA-O 3.48Å; V370-M375 HydrophobicContact CG2-CG 3.73Å; V370-M375 HydrophobicContact CG2-SD 4.16Å; V370-F380 HydrophobicContact CG2-CB 3.65Å; V370-F380 HydrophobicContact CG2-CD2 4.04Å; V370-F380 HydrophobicContact CG2-CG 4.04Å
371T97.8Very high98.4Very high62 Ų6229.1 Ų29.138%0.3817%0.169SC..Iπ-helixtrans-64.4-30.9-177.5-56.60000111.7W366 D367 G373 R440W366-T371 PolarHBondContact NE1-OG1 3.4Å; W366-T371 PolarHBondContact O-N 3Å; W366-T371 PolarHBondContact O-OG1 3.36Å; D367-T371 WeakPolarHBondContact O-CB 3.24Å; T371-G373 VanDerWaalsContact C-N 3.29Å; T371-G373 PolarHBondContact O-N 3.5Å; T371-R440 HydrophobicContact CG2-CB 4.33Å
372T96.9Very high98.4Very high82 Ų8229.5 Ų29.550%0.50317%0.171SC..THydrogen-bonded Turntrans-78.8-8.3174.961.80000113.9K368 A369 V370K368-T372 WeakPolarHBondContact O-CG2 3.28Å; K368-T372 PolarHBondContact O-OG1 3.45Å; A369-T372 PolarHBondContact O-OG1 2.56Å; V370-T372 PolarHBondContact O-N 3.16Å
373G97.8Very high98.4Very high64 Ų6429.5 Ų29.566%0.6617%0.171SC*.THydrogen-bonded Turntrans77.616.9-178.800000115.2V370 T371V370-G373 PolarHBondContact O-N 2.69Å; T371-G373 VanDerWaalsContact C-N 3.29Å; T371-G373 PolarHBondContact O-N 3.5Å
374K98.1Very high98.4Very high64 Ų6429 Ų2928%0.27817%0.168SC..SBendtrans-73.8-40.9173.9-69.2-179.6-177.3-76.10112.2D315 N318 T319 A322 A369D315-K374 VanDerWaalsContact CG-CE 3.47Å; D315-K374 PolarHBondContact O-NZ 2.8Å; D315-K374 WeakPolarHBondContact OD1-CE 3.39Å; D315-K374 IonicContact OD1-NZ 3.08Å; D315-K374 PolarHBondContact OD1-NZ 3.33Å; D315-K374 IonicContact OD2-NZ 2.96Å; D315-K374 PolarHBondContact OD2-NZ 3.17Å; N318-K374 HydrophobicContact CB-CD 3.95Å; T319-K374 PolarHBondContact OG1-NZ 3.12Å; A322-K374 HydrophobicContact CB-CB 4.23Å; A322-K374 VanDerWaalsContact CB-O 3.31Å; A322-K374 WeakPolarHBondContact CB-O 3.47Å; A369-K374 HydrophobicContact CB-CB 4.48Å; A369-K374 WeakPolarHBondContact O-CA 3.47Å; A369-K374 WeakPolarHBondContact O-CB 3.34Å; A369-K374 PolarHBondContact O-N 2.93Å
375M97.9Very high98.4Very high12 Ų1229 Ų296%0.05917%0.168CC..SBendtrans-129.2153.817770176.952.500110.4L321 A322 I365 A369 V370 M379 F380 V383L321-M375 HydrophobicContact CB-CE 4.36Å; L321-M375 HydrophobicContact CD2-CE 3.97Å; L321-M375 HydrophobicContact CG-CE 3.94Å; A322-M375 HydrophobicContact CB-CB 3.79Å; A322-M375 HydrophobicContact CB-CE 4.13Å; I365-M375 HydrophobicContact CG2-SD 4.25Å; A369-M375 HydrophobicContact CB-CE 3.57Å; A369-M375 HydrophobicContact CB-CG 3.63Å; A369-M375 HydrophobicContact CB-SD 3.7Å; A369-M375 PolarHBondContact O-N 3.33Å; V370-M375 WeakPolarHBondContact CA-O 3.48Å; V370-M375 HydrophobicContact CG2-CG 3.73Å; V370-M375 HydrophobicContact CG2-SD 4.16Å; M375-M379 HydrophobicContact CB-CB 4.13Å; M375-M379 HydrophobicContact CB-CG 4.19Å; M375-F380 HydrophobicContact SD-CB 4.15Å; M375-V383 HydrophobicContact CE-CG2 4.3Å; M375-V383 HydrophobicContact SD-CG2 4.34Å
376D98.6Very high98.4Very high94 Ų9429 Ų2950%0.50317%0.168SC..  trans-83.5172.9167.76327.3000111.2N378 M379 F380D376-N378 VanDerWaalsContact C-N 3.26Å; D376-N378 PolarHBondContact O-N 3.21Å; D376-N378 PolarHBondContact OD1-N 3.47Å; D376-N378 VanDerWaalsContact OD1-N 3.12Å; D376-M379 PolarHBondContact O-N 2.92Å; D376-M379 WeakPolarHBondContact OD1-CB 3.31Å; D376-M379 PolarHBondContact OD1-N 3.13Å; D376-F380 PolarHBondContact O-N 3.42Å
377E98.6Very high98.4Very high35 Ų3529.4 Ų29.416%0.16417%0.172CC..Hα-helixtrans-60.8-28.2175.962.3-164.7-151.300114.4R23 V25 S30 M64 W366 F380 V381R23-E377 IonicContact CZ-OE1 2.82Å; R23-E377 IonicContact CZ-OE2 3.18Å; R23-E377 VanDerWaalsContact CZ-OE2 3.23Å; R23-E377 IonicContact NH1-OE1 2.79Å; R23-E377 PolarHBondContact NH1-OE1 3.32Å; R23-E377 IonicContact NH1-OE2 2.79Å; R23-E377 PolarHBondContact NH1-OE2 3.38Å; R23-E377 IonicContact NH2-OE1 3.92Å; R23-E377 IonicContact NH2-OE2 2.85Å; R23-E377 PolarHBondContact NH2-OE2 2.87Å; V25-E377 HydrophobicContact CG1-CB 4Å; V25-E377 HydrophobicContact CG1-CG 3.78Å; V25-E377 HydrophobicContact CG2-CG 4.49Å; S30-E377 VanDerWaalsContact CB-OE1 3.25Å; S30-E377 WeakPolarHBondContact CB-OE1 3.35Å; S30-E377 PolarHBondContact OG-OE1 3.23Å; M64-E377 HydrophobicContact CE-CB 3.8Å; M64-E377 HydrophobicContact SD-CB 4.44Å; W366-E377 HydrophobicContact CH2-CB 4.23Å; W366-E377 HydrophobicContact CZ3-CB 4.22Å; E377-F380 WeakPolarHBondContact O-CB 3.11Å; E377-F380 PolarHBondContact O-N 2.92Å; E377-V381 WeakPolarHBondContact O-CG2 3.42Å; E377-V381 PolarHBondContact O-N 3.23Å; E377-V381 VanDerWaalsContact O-N 3.09Å
378N98.8Very high98.5Very high25 Ų2528.3 Ų28.313%0.13417%0.166CC..Hα-helixtrans-74.9-43.3-179.8-59.298.8000109.6N26 D27 Q29 S30 D376 F380 V381 A382N26-N378 WeakPolarHBondContact O-CA 3.45Å; N26-N378 WeakPolarHBondContact O-CB 3.37Å; N26-N378 PolarHBondContact O-ND2 3.28Å; D27-N378 WeakPolarHBondContact CA-O 3.42Å; Q29-N378 PolarHBondContact O-ND2 3.2Å; S30-N378 PolarHBondContact OG-ND2 3.08Å; S30-N378 PolarHBondContact OG-OD1 2.91Å; D376-N378 VanDerWaalsContact C-N 3.26Å; D376-N378 PolarHBondContact O-N 3.21Å; D376-N378 PolarHBondContact OD1-N 3.47Å; D376-N378 VanDerWaalsContact OD1-N 3.12Å; N378-F380 VanDerWaalsContact C-N 3.31Å; N378-F380 PolarHBondContact O-N 3.48Å; N378-V381 PolarHBondContact O-N 3.33Å; N378-A382 PolarHBondContact O-N 2.9Å
379M98.7Very high98.5Very high44 Ų4425.4 Ų25.422%0.21715%0.153CC..Hα-helixtrans-66-34.2172.5-170.359.6-177.500111.7L321 M375 D376 A382 V383L321-M379 WeakPolarHBondContact O-CE 3.42Å; M375-M379 HydrophobicContact CB-CB 4.13Å; M375-M379 HydrophobicContact CB-CG 4.19Å; D376-M379 PolarHBondContact O-N 2.92Å; D376-M379 WeakPolarHBondContact OD1-CB 3.31Å; D376-M379 PolarHBondContact OD1-N 3.13Å; M379-A382 WeakPolarHBondContact O-CB 3.4Å; M379-A382 PolarHBondContact O-N 3.27Å; M379-A382 VanDerWaalsContact O-N 3.15Å; M379-A382 HydrophobicContact SD-CB 4.02Å; M379-V383 HydrophobicContact CE-CG1 3.59Å; M379-V383 HydrophobicContact CG-CG1 4.47Å; M379-V383 WeakPolarHBondContact O-CG2 3.42Å; M379-V383 PolarHBondContact O-N 3.27Å; M379-V383 HydrophobicContact SD-CG1 4.27Å
380F98.9Very high98.5Very high0 Ų027.5 Ų27.50%016%0.162CC..Hα-helixtrans-56.9-48.3169.5171.6-100.7000111.9I66 M362 I365 W366 V370 M375 D376 E377 N378 A382 V383 T384I66-F380 HydrophobicContact CD1-CE1 3.8Å; M362-F380 HydrophobicContact CB-CZ 4.47Å; M362-F380 HydrophobicContact CE-CE1 3.78Å; M362-F380 HydrophobicContact CE-CZ 3.58Å; M362-F380 WeakPolarHBondContact O-CE2 3.47Å; M362-F380 HydrophobicContact SD-CZ 4.2Å; I365-F380 HydrophobicContact CB-CD2 4.4Å; I365-F380 HydrophobicContact CB-CE2 4.13Å; I365-F380 HydrophobicContact CG2-CD2 3.88Å; I365-F380 HydrophobicContact CG2-CE2 4.12Å; W366-F380 HydrophobicContact CB-CD2 4.5Å; W366-F380 HydrophobicContact CB-CE2 3.93Å; W366-F380 HydrophobicContact CB-CZ 4.28Å; W366-F380 AromaticContact CE3-CD1 3.75Å; W366-F380 HydrophobicContact CE3-CD1 3.75Å; W366-F380 HydrophobicContact CE3-CD2 4.11Å; W366-F380 AromaticContact CE3-CE1 3.81Å; W366-F380 HydrophobicContact CE3-CE1 3.81Å; W366-F380 HydrophobicContact CE3-CE2 4.17Å; W366-F380 AromaticContact CE3-CG 3.9Å; W366-F380 HydrophobicContact CE3-CG 3.9Å; W366-F380 HydrophobicContact CE3-CZ 4.01Å; W366-F380 AromaticContact CZ3-CD1 3.95Å; W366-F380 HydrophobicContact CZ3-CD1 3.95Å; W366-F380 HydrophobicContact CZ3-CE1 4.3Å; W366-F380 HydrophobicContact CZ3-CG 4.26Å; V370-F380 HydrophobicContact CG2-CB 3.65Å; V370-F380 HydrophobicContact CG2-CD2 4.04Å; V370-F380 HydrophobicContact CG2-CG 4.04Å; M375-F380 HydrophobicContact SD-CB 4.15Å; D376-F380 PolarHBondContact O-N 3.42Å; E377-F380 WeakPolarHBondContact O-CB 3.11Å; E377-F380 PolarHBondContact O-N 2.92Å; N378-F380 VanDerWaalsContact C-N 3.31Å; N378-F380 PolarHBondContact O-N 3.48Å; F380-A382 VanDerWaalsContact C-N 3.28Å; F380-A382 PolarHBondContact O-N 3.42Å; F380-V383 PolarHBondContact O-N 2.85Å; F380-T384 HydrophobicContact CD2-CG2 3.94Å; F380-T384 HydrophobicContact CE2-CG2 3.71Å; F380-T384 HydrophobicContact CZ-CG2 4.13Å; F380-T384 WeakPolarHBondContact O-CB 3.3Å; F380-T384 VanDerWaalsContact O-CG2 3.31Å; F380-T384 WeakPolarHBondContact O-CG2 3.19Å; F380-T384 PolarHBondContact O-N 3.32Å; F380-T384 VanDerWaalsContact O-N 3.11Å; F380-T384 PolarHBondContact O-OG1 3.46Å
381V98.9Very high98.6Very high1 Ų126.5 Ų26.51%0.00616%0.156CC..Hα-helixtrans-60.3-40.9174.2169.90000111V25 I66 P67 E377 N378 V383 S385 T386V25-V381 HydrophobicContact CB-CG2 4.48Å; V25-V381 HydrophobicContact CG1-CG2 3.87Å; I66-V381 HydrophobicContact CB-CG2 4.05Å; I66-V381 HydrophobicContact CG2-CG2 3.69Å; P67-V381 HydrophobicContact CG-CG1 3.83Å; E377-V381 WeakPolarHBondContact O-CG2 3.42Å; E377-V381 PolarHBondContact O-N 3.23Å; E377-V381 VanDerWaalsContact O-N 3.09Å; N378-V381 PolarHBondContact O-N 3.33Å; V381-V383 PolarHBondContact O-N 2.59Å; V381-S385 PolarHBondContact O-N 2.88Å; V381-S385 PolarHBondContact O-OG 3.09Å; V381-T386 PolarHBondContact O-N 3.04Å
382A98.9Very high98.6Very high7 Ų723.5 Ų23.56%0.05814%0.138CC..Iπ-helixtrans-58.3-50.4179.300000112.5D27 N378 M379 F380 T386 N387D27-A382 HydrophobicContact CB-CB 3.91Å; N378-A382 PolarHBondContact O-N 2.9Å; M379-A382 WeakPolarHBondContact O-CB 3.4Å; M379-A382 PolarHBondContact O-N 3.27Å; M379-A382 VanDerWaalsContact O-N 3.15Å; M379-A382 HydrophobicContact SD-CB 4.02Å; F380-A382 VanDerWaalsContact C-N 3.28Å; F380-A382 PolarHBondContact O-N 3.42Å; A382-T386 PolarHBondContact O-N 3.26Å; A382-N387 VanDerWaalsContact O-CB 3.23Å; A382-N387 WeakPolarHBondContact O-CB 3.19Å; A382-N387 VanDerWaalsContact O-CG 3.24Å; A382-N387 PolarHBondContact O-N 2.91Å; A382-N387 PolarHBondContact O-ND2 2.9Å
383V98.9Very high98.7Very high0 Ų022.1 Ų22.10%013%0.127CC..Iπ-helixtrans-82.6-17.7-173.5-58.10000114.4L321 T329 I365 M375 M379 F380 V381L321-V383 HydrophobicContact CD1-CB 3.89Å; L321-V383 HydrophobicContact CD1-CG1 3.69Å; L321-V383 HydrophobicContact CD1-CG2 4.43Å; L321-V383 HydrophobicContact CD2-CB 4.43Å; L321-V383 HydrophobicContact CD2-CG2 4.09Å; L321-V383 HydrophobicContact CG-CB 4.2Å; L321-V383 HydrophobicContact CG-CG1 3.98Å; L321-V383 HydrophobicContact CG-CG2 4.24Å; T329-V383 PolarHBondContact N-O 3.11Å; T329-V383 PolarHBondContact OG1-O 2.96Å; I365-V383 HydrophobicContact CG2-CG2 4.41Å; M375-V383 HydrophobicContact CE-CG2 4.3Å; M375-V383 HydrophobicContact SD-CG2 4.34Å; M379-V383 HydrophobicContact CE-CG1 3.59Å; M379-V383 HydrophobicContact CG-CG1 4.47Å; M379-V383 WeakPolarHBondContact O-CG2 3.42Å; M379-V383 PolarHBondContact O-N 3.27Å; M379-V383 HydrophobicContact SD-CG1 4.27Å; F380-V383 PolarHBondContact O-N 2.85Å; V381-V383 PolarHBondContact O-N 2.59Å
384T98.9Very high98.7Very high1 Ų119.5 Ų19.51%0.00610%0.098CC..Iπ-helixtrans-100.5-16.4-179.459.40000114.1I70 R361 M362 I365 F380I70-T384 PolarHBondContact N-O 2.88Å; R361-T384 PolarHBondContact NH1-O 3.09Å; R361-T384 VanDerWaalsContact NH1-O 3.14Å; M362-T384 HydrophobicContact SD-CG2 3.94Å; I365-T384 HydrophobicContact CD1-CG2 3.9Å; I365-T384 HydrophobicContact CG2-CG2 4.41Å; F380-T384 HydrophobicContact CD2-CG2 3.94Å; F380-T384 HydrophobicContact CE2-CG2 3.71Å; F380-T384 HydrophobicContact CZ-CG2 4.13Å; F380-T384 WeakPolarHBondContact O-CB 3.3Å; F380-T384 VanDerWaalsContact O-CG2 3.31Å; F380-T384 WeakPolarHBondContact O-CG2 3.19Å; F380-T384 PolarHBondContact O-N 3.32Å; F380-T384 VanDerWaalsContact O-N 3.11Å; F380-T384 PolarHBondContact O-OG1 3.46Å
385S98.9Very high98.8Very high0 Ų020.1 Ų20.10%010%0.099CC..Iπ-helixtrans-146.4-58.1-178.868.60000114G68 V381 N387 A388 A389G68-S385 WeakPolarHBondContact O-CB 3.35Å; V381-S385 PolarHBondContact O-N 2.88Å; V381-S385 PolarHBondContact O-OG 3.09Å; S385-N387 PolarHBondContact O-N 3.11Å; S385-A388 WeakPolarHBondContact O-CB 3.27Å; S385-A388 PolarHBondContact O-N 3.39Å; S385-A389 PolarHBondContact O-N 3.39Å
386T98.9Very high98.8Very high0 Ų022.6 Ų22.60%012%0.116CC..Iπ-helixtrans-64.9-42.4-166.2-51.70000113.1D27 V381 A382 A389 K390 Y395 G399D27-T386 HydrophobicContact CB-CG2 3.99Å; D27-T386 VanDerWaalsContact CG-CG2 3.47Å; D27-T386 WeakPolarHBondContact OD2-CG2 3.39Å; V381-T386 PolarHBondContact O-N 3.04Å; A382-T386 PolarHBondContact O-N 3.26Å; T386-A389 PolarHBondContact O-N 3.16Å; T386-K390 HydrophobicContact CG2-CD 4.05Å; T386-K390 HydrophobicContact CG2-CG 4.48Å; T386-K390 VanDerWaalsContact O-CG 3.31Å; T386-K390 WeakPolarHBondContact O-CG 3.47Å; T386-K390 PolarHBondContact O-N 3.2Å; T386-Y395 HydrophobicContact CG2-CD2 3.72Å; T386-Y395 HydrophobicContact CG2-CE2 3.44Å; T386-Y395 VanDerWaalsContact CG2-CE2 3.44Å; T386-G399 WeakPolarHBondContact CB-O 3.29Å; T386-G399 PolarHBondContact OG1-O 3.36Å
387N98.9Very high98.8Very high20 Ų2022.5 Ų22.511%0.10711%0.109CC..Hα-helixtrans-69.2-37.2179.5-69.3-20.2000111.5S327 V328 A382 S385 K390 I391S327-N387 VanDerWaalsContact O-CB 3.28Å; S327-N387 WeakPolarHBondContact O-CB 3.47Å; S327-N387 PolarHBondContact O-ND2 2.64Å; V328-N387 HydrophobicContact CB-CB 4.33Å; A382-N387 VanDerWaalsContact O-CB 3.23Å; A382-N387 WeakPolarHBondContact O-CB 3.19Å; A382-N387 VanDerWaalsContact O-CG 3.24Å; A382-N387 PolarHBondContact O-N 2.91Å; A382-N387 PolarHBondContact O-ND2 2.9Å; S385-N387 PolarHBondContact O-N 3.11Å; N387-K390 PolarHBondContact O-N 3.14Å; N387-I391 WeakPolarHBondContact O-CB 3.49Å; N387-I391 WeakPolarHBondContact O-CG1 3.41Å; N387-I391 PolarHBondContact O-N 3.44Å
388A98.9Very high98.8Very high0 Ų021.1 Ų21.10%010%0.102CC..Hα-helixtrans-59.5-48.7171.100000110.7I70 I72 V328 S385 K390 I391 L392I70-A388 HydrophobicContact CB-CB 3.9Å; I70-A388 HydrophobicContact CG2-CB 3.79Å; I72-A388 HydrophobicContact CB-CB 4.3Å; I72-A388 HydrophobicContact CD1-CB 4.13Å; V328-A388 HydrophobicContact CG2-CB 3.76Å; S385-A388 WeakPolarHBondContact O-CB 3.27Å; S385-A388 PolarHBondContact O-N 3.39Å; A388-K390 VanDerWaalsContact C-N 3.31Å; A388-K390 PolarHBondContact O-N 3.21Å; A388-I391 PolarHBondContact O-N 2.82Å; A388-L392 WeakPolarHBondContact O-CB 3.42Å; A388-L392 VanDerWaalsContact O-CG 3.24Å; A388-L392 WeakPolarHBondContact O-CG 3.46Å; A388-L392 PolarHBondContact O-N 3.01Å
389A98.9Very high98.8Very high0 Ų020.2 Ų20.20%010%0.098CC..Hα-helixtrans-59.9-38.8176.200000112.7I70 S385 T386 N393 L394 Y395 K398I70-A389 HydrophobicContact CD1-CB 3.81Å; S385-A389 PolarHBondContact O-N 3.39Å; T386-A389 PolarHBondContact O-N 3.16Å; A389-N393 PolarHBondContact O-N 3.09Å; A389-N393 VanDerWaalsContact O-N 3.08Å; A389-L394 HydrophobicContact CB-CB 4.42Å; A389-L394 PolarHBondContact O-N 3.03Å; A389-Y395 PolarHBondContact O-N 3.44Å; A389-K398 HydrophobicContact CB-CB 4.48Å; A389-K398 VanDerWaalsContact CB-O 3.31Å; A389-K398 WeakPolarHBondContact CB-O 3.45Å
390K98.9Very high98.8Very high43 Ų4320.3 Ų20.319%0.18710%0.096CC..Hα-helixtrans-67.3-39.4176.4-73.7170.2-176.3165.10112.2D27 T386 N387 A388 N393 Y395 F477D27-K390 IonicContact OD2-NZ 4Å; D27-K390 PolarHBondContact OD2-NZ 2.88Å; T386-K390 HydrophobicContact CG2-CD 4.05Å; T386-K390 HydrophobicContact CG2-CG 4.48Å; T386-K390 VanDerWaalsContact O-CG 3.31Å; T386-K390 WeakPolarHBondContact O-CG 3.47Å; T386-K390 PolarHBondContact O-N 3.2Å; N387-K390 PolarHBondContact O-N 3.14Å; A388-K390 VanDerWaalsContact C-N 3.31Å; A388-K390 PolarHBondContact O-N 3.21Å; K390-N393 PolarHBondContact O-N 3.03Å; K390-Y395 HydrophobicContact CG-CD1 4.14Å; K390-Y395 HydrophobicContact CG-CD2 4.19Å; K390-Y395 HydrophobicContact CG-CG 3.77Å; K390-F477 HydrophobicContact CB-CB 3.93Å; K390-F477 HydrophobicContact CB-CD1 3.89Å; K390-F477 HydrophobicContact CB-CD2 4.17Å; K390-F477 HydrophobicContact CB-CE1 4.41Å; K390-F477 HydrophobicContact CB-CG 3.75Å; K390-F477 HydrophobicContact CD-CD2 4.15Å; K390-F477 HydrophobicContact CD-CE2 4.21Å
391I98.7Very high98.8Very high2 Ų220.4 Ų20.41%0.0110%0.097CC..Hα-helixtrans-67.9-44.5177.2-72.1169.1000110.6I72 I194 Y251 F275 V328 N387 A388 N393 P475 F477I72-I391 HydrophobicContact CD1-CG2 4.08Å; I194-I391 HydrophobicContact CD1-CG2 3.63Å; I194-I391 WeakPolarHBondContact CD1-O 3.46Å; Y251-I391 HydrophobicContact CD2-CD1 4.27Å; Y251-I391 HydrophobicContact CD2-CG2 4.17Å; Y251-I391 HydrophobicContact CE2-CD1 3.9Å; Y251-I391 HydrophobicContact CE2-CG2 4.16Å; F275-I391 HydrophobicContact CD1-CD1 4.22Å; F275-I391 HydrophobicContact CG-CD1 4.25Å; V328-I391 HydrophobicContact CB-CD1 4.3Å; V328-I391 HydrophobicContact CG1-CD1 3.93Å; N387-I391 WeakPolarHBondContact O-CB 3.49Å; N387-I391 WeakPolarHBondContact O-CG1 3.41Å; N387-I391 PolarHBondContact O-N 3.44Å; A388-I391 PolarHBondContact O-N 2.82Å; I391-N393 PolarHBondContact O-N 2.78Å; I391-P475 WeakPolarHBondContact O-CB 3.38Å; I391-P475 WeakPolarHBondContact O-CG 3.49Å; I391-F477 HydrophobicContact CD1-CE1 4.43Å; I391-F477 HydrophobicContact CG1-CD1 3.78Å; I391-F477 HydrophobicContact CG1-CE1 3.92Å
392L98.7Very high98.8Very high0 Ų021.6 Ų21.60%011%0.107CC..THydrogen-bonded Turntrans-77.8-3.7179.7-63.7166.8000113.5I70 I72 V105 N162 A388 L394 C471I70-L392 HydrophobicContact CG2-CD1 4.23Å; I72-L392 HydrophobicContact CD1-CD1 3.97Å; I72-L392 HydrophobicContact CD1-CD2 3.98Å; I72-L392 HydrophobicContact CD1-CG 3.8Å; I72-L392 HydrophobicContact CG1-CD1 4.19Å; I72-L392 HydrophobicContact CG1-CD2 4.27Å; I72-L392 HydrophobicContact CG1-CG 4.38Å; V105-L392 HydrophobicContact CG2-CD1 3.63Å; V105-L392 HydrophobicContact CG2-CD2 4.26Å; N162-L392 PolarHBondContact ND2-O 3.15Å; A388-L392 WeakPolarHBondContact O-CB 3.42Å; A388-L392 VanDerWaalsContact O-CG 3.24Å; A388-L392 WeakPolarHBondContact O-CG 3.46Å; A388-L392 PolarHBondContact O-N 3.01Å; L392-L394 HydrophobicContact CB-CD1 3.95Å; L392-L394 HydrophobicContact CB-CG 3.93Å; L392-L394 HydrophobicContact CD1-CD1 4.35Å; L392-C471 VanDerWaalsContact O-CB 3.28Å; L392-C471 WeakPolarHBondContact O-CB 3.46Å
393N98.8Very high98.8Very high52 Ų5225.8 Ų25.828%0.27813%0.131SC..THydrogen-bonded Turntrans64.135.4-176.9-151.718.1000114.5A389 K390 I391 P472 P473 P475A389-N393 PolarHBondContact O-N 3.09Å; A389-N393 VanDerWaalsContact O-N 3.08Å; K390-N393 PolarHBondContact O-N 3.03Å; I391-N393 PolarHBondContact O-N 2.78Å; N393-P472 WeakPolarHBondContact CB-O 3.36Å; N393-P472 PolarHBondContact ND2-O 3.24Å; N393-P473 PolarHBondContact ND2-O 2.88Å; N393-P475 HydrophobicContact CB-CB 3.93Å
394L98.8Very high98.7Very high10 Ų1028.2 Ų28.25%0.05216%0.157CC..  trans-111.1-1.7-179.4-56.3-180000113.2M103 A389 L392 R397 K398 I469M103-L394 HydrophobicContact CE-CD1 3.6Å; M103-L394 HydrophobicContact SD-CD1 3.88Å; A389-L394 HydrophobicContact CB-CB 4.42Å; A389-L394 PolarHBondContact O-N 3.03Å; L392-L394 HydrophobicContact CB-CD1 3.95Å; L392-L394 HydrophobicContact CB-CG 3.93Å; L392-L394 HydrophobicContact CD1-CD1 4.35Å; L394-R397 WeakPolarHBondContact O-CA 3.25Å; L394-R397 VanDerWaalsContact O-CB 3.25Å; L394-R397 WeakPolarHBondContact O-CB 3.29Å; L394-R397 PolarHBondContact O-N 3.3Å; L394-K398 PolarHBondContact O-N 3.37Å; L394-I469 HydrophobicContact CD1-CG2 3.87Å; L394-I469 HydrophobicContact CD2-CG2 3.61Å; L394-I469 HydrophobicContact CG-CG2 4.38Å
395Y98.8Very high98.7Very high77 Ų7728.3 Ų28.330%0.30216%0.157SC..THydrogen-bonded Turntrans-81.5136.2179-178.9-91.9000111.6T386 A389 K390 R400T386-Y395 HydrophobicContact CG2-CD2 3.72Å; T386-Y395 HydrophobicContact CG2-CE2 3.44Å; T386-Y395 VanDerWaalsContact CG2-CE2 3.44Å; A389-Y395 PolarHBondContact O-N 3.44Å; K390-Y395 HydrophobicContact CG-CD1 4.14Å; K390-Y395 HydrophobicContact CG-CD2 4.19Å; K390-Y395 HydrophobicContact CG-CG 3.77Å; Y395-R400 HydrophobicContact CD2-CB 4.48Å; Y395-R400 HydrophobicContact CE2-CB 3.87Å; Y395-R400 HydrophobicContact CE2-CG 4.37Å; Y395-R400 VanDerWaalsContact OH-CD 3.31Å; Y395-R400 WeakPolarHBondContact OH-CD 3.41Å; Y395-R400 PolarHBondContact OH-NH1 3.11Å
396P98.6Very high98.7Very high64 Ų6428.8 Ų28.842%0.41616%0.16SC..THydrogen-bonded Turncis-95.813.73.938.9-36.5000114.2K398 R400 S405P396-K398 PolarHBondContact O-N 3.22Å; P396-R400 HydrophobicContact CB-CB 4.2Å; P396-S405 WeakPolarHBondContact O-CB 3.34Å; P396-S405 PolarHBondContact O-OG 3.06Å
397R98.6Very high98.7Very high92 Ų9228.8 Ų28.835%0.34716%0.16SC..THydrogen-bonded Turntrans-54.2-41176.8175.7-175.1172.8-178-0.3110.9L394 D406L394-R397 WeakPolarHBondContact O-CA 3.25Å; L394-R397 VanDerWaalsContact O-CB 3.25Å; L394-R397 WeakPolarHBondContact O-CB 3.29Å; L394-R397 PolarHBondContact O-N 3.3Å; R397-D406 IonicContact CZ-OD2 2.8Å; R397-D406 IonicContact NE-OD1 2.9Å; R397-D406 PolarHBondContact NE-OD1 3.49Å; R397-D406 IonicContact NE-OD2 3.98Å; R397-D406 PolarHBondContact NE-OD2 2.88Å; R397-D406 IonicContact NH2-OD1 2.58Å; R397-D406 IonicContact NH2-OD2 3.33Å; R397-D406 PolarHBondContact NH2-OD2 3.34Å; R397-D406 WeakPolarHBondContact O-CB 3.41Å; R397-D406 PolarHBondContact O-N 3.08Å
398K98.9Very high98.7Very high6 Ų628.3 Ų28.33%0.02616%0.157CC..SBendtrans-122.3163.4169.9-62.5-171.2-179.1-52.50111.3I70 M103 D134 A389 L394 P396 R400 D406 D408I70-K398 HydrophobicContact CD1-CB 3.9Å; M103-K398 HydrophobicContact CB-CD 4.35Å; M103-K398 HydrophobicContact CG-CD 4.39Å; M103-K398 HydrophobicContact SD-CD 3.32Å; M103-K398 WeakPolarHBondContact SD-CD 3.34Å; M103-K398 VanDerWaalsContact SD-CE 3.57Å; D134-K398 IonicContact OD2-NZ 3.23Å; D134-K398 PolarHBondContact OD2-NZ 2.84Å; A389-K398 HydrophobicContact CB-CB 4.48Å; A389-K398 VanDerWaalsContact CB-O 3.31Å; A389-K398 WeakPolarHBondContact CB-O 3.45Å; L394-K398 PolarHBondContact O-N 3.37Å; P396-K398 PolarHBondContact O-N 3.22Å; K398-R400 VanDerWaalsContact C-N 3.28Å; K398-R400 PolarHBondContact O-N 2.98Å; K398-D406 HydrophobicContact CG-CB 4.48Å; K398-D406 IonicContact NZ-OD2 3.9Å; K398-D406 PolarHBondContact NZ-OD2 3.34Å; K398-D408 IonicContact NZ-OD2 3.01Å; K398-D408 PolarHBondContact NZ-OD2 2.98Å
399G98.5Very high98.7Very high5 Ų528.3 Ų28.35%0.05216%0.157CC..SBendtrans70.920.317800000114.2T386T386-G399 WeakPolarHBondContact CB-O 3.29Å; T386-G399 PolarHBondContact OG1-O 3.36Å
400R98.8Very high98.7Very high46 Ų4628.3 Ų28.317%0.17416%0.157CC..SBendtrans-153.5139.7171.8-165.1174.1-173.874.34.5111.4N26 D27 D28 Y395 P396 K398 A402 S405N26-R400 WeakPolarHBondContact OD1-CG 3.28Å; D27-R400 IonicContact OD1-NH1 3.16Å; D27-R400 PolarHBondContact OD1-NH1 3.21Å; D28-R400 IonicContact OD1-CZ 2.97Å; D28-R400 IonicContact OD1-NH1 3.59Å; D28-R400 PolarHBondContact OD1-NH1 3.09Å; D28-R400 IonicContact OD1-NH2 2.68Å; D28-R400 PolarHBondContact OD1-NH2 3.1Å; D28-R400 IonicContact OD2-CZ 3.56Å; D28-R400 IonicContact OD2-NH1 2.86Å; D28-R400 IonicContact OD2-NH2 3.56Å; D28-R400 PolarHBondContact OD2-NH2 2.87Å; Y395-R400 HydrophobicContact CD2-CB 4.48Å; Y395-R400 HydrophobicContact CE2-CB 3.87Å; Y395-R400 HydrophobicContact CE2-CG 4.37Å; Y395-R400 VanDerWaalsContact OH-CD 3.31Å; Y395-R400 WeakPolarHBondContact OH-CD 3.41Å; Y395-R400 PolarHBondContact OH-NH1 3.11Å; P396-R400 HydrophobicContact CB-CB 4.2Å; K398-R400 VanDerWaalsContact C-N 3.28Å; K398-R400 PolarHBondContact O-N 2.98Å; R400-A402 HydrophobicContact CG-CB 4.17Å; R400-A402 PolarHBondContact O-N 2.71Å; R400-S405 WeakPolarHBondContact O-CB 3.38Å; R400-S405 PolarHBondContact O-OG 2.73Å
401I98.8Very high98.7Very high3 Ų326.3 Ų26.32%0.01515%0.149CC..  trans-87.696.5167-51.9-175.6000107.6I24 N26 I35 I42 I45 V65 P67 L409I24-I401 HydrophobicContact CD1-CG2 4.35Å; I24-I401 HydrophobicContact CG2-CB 3.85Å; I24-I401 HydrophobicContact CG2-CD1 3.8Å; I24-I401 HydrophobicContact CG2-CG1 4.33Å; I24-I401 HydrophobicContact CG2-CG2 3.87Å; N26-I401 PolarHBondContact ND2-O 3.26Å; N26-I401 PolarHBondContact OD1-N 3.49Å; I35-I401 HydrophobicContact CD1-CD1 4.44Å; I35-I401 HydrophobicContact CD1-CG2 3.68Å; I35-I401 HydrophobicContact CG1-CG2 4.38Å; I42-I401 HydrophobicContact CD1-CG2 3.95Å; I45-I401 HydrophobicContact CD1-CG2 3.93Å; V65-I401 HydrophobicContact CB-CD1 4.32Å; V65-I401 HydrophobicContact CG1-CD1 3.95Å; V65-I401 WeakPolarHBondContact O-CD1 3.22Å; P67-I401 HydrophobicContact CG-CG1 3.97Å; I401-L409 HydrophobicContact CB-CD2 4.47Å; I401-L409 HydrophobicContact CD1-CD2 3.76Å; I401-L409 HydrophobicContact CG1-CD2 3.58Å; I401-L409 HydrophobicContact CG2-CD2 4.35Å
402A98.6Very high98.7Very high25 Ų2526.2 Ų26.221%0.20715%0.148CC..  trans-146154.7176.900000110.5I42 R400 G404 S405I42-A402 WeakPolarHBondContact CB-O 3.46Å; R400-A402 HydrophobicContact CG-CB 4.17Å; R400-A402 PolarHBondContact O-N 2.71Å; A402-G404 PolarHBondContact O-N 2.84Å; A402-S405 VanDerWaalsContact O-CB 3.3Å; A402-S405 WeakPolarHBondContact O-CB 3.26Å; A402-S405 PolarHBondContact O-N 2.87Å; A402-S405 PolarHBondContact O-OG 3.29Å
403V98.6Very high98.6Very high95 Ų9527.5 Ų27.558%0.57616%0.155SC*.THydrogen-bonded Turntrans-58.4129.2173.9174.90000109.7K43 I45K43-V403 WeakPolarHBondContact O-CG1 3.46Å; I45-V403 HydrophobicContact CD1-CG2 4.5Å; I45-V403 HydrophobicContact CG1-CG2 4.32Å
404G98.4Very high98.5Very high52 Ų5226.6 Ų26.654%0.53615%0.151SC..THydrogen-bonded Turntrans90.9-10.5-17700000115.1I42 A402I42-G404 PolarHBondContact O-N 3.22Å; A402-G404 PolarHBondContact O-N 2.84Å
405S98.8Very high98.3Very high2 Ų231.1 Ų31.11%0.01418%0.176CC..SBendtrans-72.5156.6172.3-60.70000111.7I42 P396 R400 A402I42-S405 PolarHBondContact N-O 2.84Å; P396-S405 WeakPolarHBondContact O-CB 3.34Å; P396-S405 PolarHBondContact O-OG 3.06Å; R400-S405 WeakPolarHBondContact O-CB 3.38Å; R400-S405 PolarHBondContact O-OG 2.73Å; A402-S405 VanDerWaalsContact O-CB 3.3Å; A402-S405 WeakPolarHBondContact O-CB 3.26Å; A402-S405 PolarHBondContact O-N 2.87Å; A402-S405 PolarHBondContact O-OG 3.29Å
406D98.8Very high98.2Very high11 Ų1128.7 Ų28.76%0.05917%0.172CC..BIsolated β-bridgetrans-59.9140171.7-73.4-8.3000109.2R397 K398 D408 R467R397-D406 IonicContact CZ-OD2 2.8Å; R397-D406 IonicContact NE-OD1 2.9Å; R397-D406 PolarHBondContact NE-OD1 3.49Å; R397-D406 IonicContact NE-OD2 3.98Å; R397-D406 PolarHBondContact NE-OD2 2.88Å; R397-D406 IonicContact NH2-OD1 2.58Å; R397-D406 IonicContact NH2-OD2 3.33Å; R397-D406 PolarHBondContact NH2-OD2 3.34Å; R397-D406 WeakPolarHBondContact O-CB 3.41Å; R397-D406 PolarHBondContact O-N 3.08Å; K398-D406 HydrophobicContact CG-CB 4.48Å; K398-D406 IonicContact NZ-OD2 3.9Å; K398-D406 PolarHBondContact NZ-OD2 3.34Å; D406-D408 PolarHBondContact O-N 3.03Å; D406-R467 IonicContact OD2-NH2 3.9Å
407A98.3Very high98.1Very high0 Ų029.7 Ų29.70%018%0.176CC..  trans-85.459-174.900000110.8M37 G40 I42 G450M37-A407 HydrophobicContact CB-CB 4.31Å; M37-A407 HydrophobicContact CE-CB 3.14Å; G40-A407 VanDerWaalsContact C-CB 3.45Å; G40-A407 WeakPolarHBondContact O-CB 3.26Å; G40-A407 PolarHBondContact O-N 3.46Å; I42-A407 HydrophobicContact CG1-CB 4.26Å; A407-G450 PolarHBondContact O-N 3.49Å
408D98.7Very high97.8Very high9 Ų930 Ų305%0.04818%0.177CC..  trans-106.195.5178.1-71.6-23.4000108.8G68 T102 K398 D406 I447 C448 Q449G68-D408 PolarHBondContact N-O 2.96Å; T102-D408 HydrophobicContact CG2-CB 4.42Å; K398-D408 IonicContact NZ-OD2 3.01Å; K398-D408 PolarHBondContact NZ-OD2 2.98Å; D406-D408 PolarHBondContact O-N 3.03Å; D408-I447 CarbonylContact C-O 3.54Å; D408-I447 VanDerWaalsContact CA-O 3.3Å; D408-I447 WeakPolarHBondContact CA-O 3.29Å; D408-C448 WeakPolarHBondContact OD1-CA 3.37Å; D408-Q449 PolarHBondContact OD1-N 3.25Å
409L98.8Very high97.8Very high1 Ų133 Ų331%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-133.1150.2-166.6-58.9178.6000111.4I19 I35 M37 I42 V65 I66 I401 I447I19-L409 HydrophobicContact CD1-CD1 3.73Å; I35-L409 HydrophobicContact CD1-CD1 4.15Å; I35-L409 HydrophobicContact CG2-CD1 4.18Å; M37-L409 HydrophobicContact CE-CD1 3.64Å; M37-L409 HydrophobicContact CE-CG 4.19Å; M37-L409 HydrophobicContact SD-CD1 4.05Å; I42-L409 HydrophobicContact CD1-CD2 4.13Å; V65-L409 HydrophobicContact CG1-CB 4.47Å; I66-L409 WeakPolarHBondContact O-CA 3.33Å; I401-L409 HydrophobicContact CB-CD2 4.47Å; I401-L409 HydrophobicContact CD1-CD2 3.76Å; I401-L409 HydrophobicContact CG1-CD2 3.58Å; I401-L409 HydrophobicContact CG2-CD2 4.35Å; L409-I447 HydrophobicContact CB-CB 4.38Å; L409-I447 HydrophobicContact CB-CD1 4.47Å; L409-I447 PolarHBondContact N-O 3.41Å; L409-I447 PolarHBondContact O-N 2.97Å
410V98.9Very high97.8Very high0 Ų033.6 Ų33.60%020%0.198CC..EExtended strand (participates in β ladder)trans-125.7128.1172.1-179.80000109V65 I66 G100 W412 P443 V445 V446V65-V410 WeakPolarHBondContact CA-O 3.27Å; I66-V410 HydrophobicContact CD1-CB 4.28Å; I66-V410 HydrophobicContact CG1-CB 3.82Å; I66-V410 HydrophobicContact CG1-CG1 4.44Å; I66-V410 PolarHBondContact N-O 3.16Å; I66-V410 PolarHBondContact O-N 3.22Å; G100-V410 WeakPolarHBondContact O-CG2 3.48Å; V410-W412 HydrophobicContact CG1-CE3 3.99Å; V410-P443 HydrophobicContact CG1-CB 3.79Å; V410-V445 CarbonylContact C-O 3.58Å; V410-V445 WeakPolarHBondContact CA-O 3.29Å; V410-V446 HydrophobicContact CG1-CG2 4.29Å; V410-V446 HydrophobicContact CG2-CG1 4.26Å; V410-V446 HydrophobicContact CG2-CG2 4.2Å
411I98.8Very high97.7Very high1 Ų132.7 Ų32.71%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-86.1112.2164.1-55.3179.6000106.5I19 I58 A60 K63 M64 L444 V445I19-I411 HydrophobicContact CG2-CD1 4.1Å; I58-I411 HydrophobicContact CB-CD1 4.25Å; I58-I411 HydrophobicContact CG2-CD1 3.4Å; I58-I411 VanDerWaalsContact CG2-CD1 3.4Å; A60-I411 HydrophobicContact CB-CD1 4.19Å; A60-I411 HydrophobicContact CB-CG2 4.13Å; K63-I411 HydrophobicContact CB-CG2 3.7Å; K63-I411 HydrophobicContact CG-CG2 4.21Å; M64-I411 CarbonylContact O-C 3.53Å; M64-I411 WeakPolarHBondContact O-CA 3.28Å; I411-L444 WeakPolarHBondContact O-CB 3.31Å; I411-L444 PolarHBondContact O-N 3.03Å; I411-V445 HydrophobicContact CB-CB 3.98Å; I411-V445 HydrophobicContact CB-CG2 4.45Å; I411-V445 HydrophobicContact CD1-CB 3.94Å; I411-V445 HydrophobicContact CD1-CG1 4.41Å; I411-V445 HydrophobicContact CD1-CG2 4.12Å; I411-V445 HydrophobicContact CG1-CB 4.08Å; I411-V445 PolarHBondContact N-O 3.2Å; I411-V445 PolarHBondContact O-N 3.45Å
412W98.6Very high97.7Very high0 Ų033.5 Ų33.50%021%0.205CC..EExtended strand (participates in β ladder)trans-104.6127.6-172-171.1-94.7000110.7M64 I66 M362 V363 W366 V410 G441 P443M64-W412 HydrophobicContact CB-CB 4.2Å; M64-W412 PolarHBondContact N-O 3.42Å; M64-W412 VanDerWaalsContact N-O 3.08Å; M64-W412 PolarHBondContact O-N 3.08Å; I66-W412 HydrophobicContact CD1-CB 4.14Å; I66-W412 HydrophobicContact CD1-CD2 4.36Å; I66-W412 HydrophobicContact CD1-CE3 4.2Å; I66-W412 HydrophobicContact CD1-CG 4.36Å; I66-W412 HydrophobicContact CG1-CB 4.42Å; M362-W412 HydrophobicContact CB-CH2 3.81Å; M362-W412 HydrophobicContact CB-CZ3 3.85Å; V363-W412 HydrophobicContact CB-CH2 4.08Å; W366-W412 HydrophobicContact CB-CZ2 3.78Å; W366-W412 HydrophobicContact CD2-CZ2 4.27Å; W366-W412 AromaticContact CD2-NE1 3.32Å; W366-W412 VanDerWaalsContact CD2-NE1 3.32Å; W366-W412 AromaticContact CE2-NE1 3.53Å; W366-W412 AromaticContact CE3-NE1 3.64Å; W366-W412 AromaticContact CG-CZ2 3.84Å; W366-W412 HydrophobicContact CG-CZ2 3.84Å; W366-W412 AromaticContact CG-NE1 3.7Å; W366-W412 AromaticContact NE1-NE1 3.91Å; V410-W412 HydrophobicContact CG1-CE3 3.99Å; W412-G441 VanDerWaalsContact CZ2-C 3.46Å; W412-P443 HydrophobicContact CE3-CB 4.3Å; W412-P443 HydrophobicContact CZ3-CB 4.21Å; W412-P443 HydrophobicContact CZ3-CG 4.34Å
413D97.5Very high97.6Very high27 Ų2741.7 Ų41.714%0.14424%0.236CC..EExtended strand (participates in β ladder)trans-95.1112.5172.9-166.5-10.5000110.1K63 D415 A416 G441 A442K63-D413 HydrophobicContact CD-CB 4.08Å; K63-D413 WeakPolarHBondContact CE-OD2 3.28Å; K63-D413 IonicContact NZ-OD1 3Å; K63-D413 PolarHBondContact NZ-OD1 2.79Å; K63-D413 IonicContact NZ-OD2 3.69Å; K63-D413 PolarHBondContact NZ-OD2 3.45Å; D413-D415 VanDerWaalsContact C-N 3.3Å; D413-D415 PolarHBondContact O-N 2.63Å; D413-D415 PolarHBondContact OD1-N 3.4Å; D413-D415 VanDerWaalsContact OD1-N 3.15Å; D413-A416 HydrophobicContact CB-CB 3.88Å; D413-G441 CarbonylContact O-C 3.5Å; D413-G441 VanDerWaalsContact O-CA 3.27Å; D413-G441 WeakPolarHBondContact O-CA 3.43Å; D413-A442 PolarHBondContact N-O 2.85Å; D413-A442 PolarHBondContact O-N 2.76Å
414T96.7Very high97.4Very high32 Ų3241.8 Ų41.820%0.19624%0.237CC..EExtended strand (participates in β ladder)trans-74.9-19.2-176.957.50000113.4M64 W366 R440M64-T414 HydrophobicContact CG-CG2 4.15Å; M64-T414 HydrophobicContact SD-CG2 3.43Å; M64-T414 WeakPolarHBondContact SD-CG2 3.33Å; W366-T414 HydrophobicContact CH2-CG2 3.83Å; W366-T414 HydrophobicContact CZ2-CG2 3.41Å; W366-T414 VanDerWaalsContact CZ2-CG2 3.41Å; T414-R440 WeakPolarHBondContact O-CD 3.37Å; T414-R440 WeakPolarHBondContact O-CG 3.36Å
415D94.8Very high97.3Very high106 Ų10640.4 Ų40.457%0.56722%0.216SC*.EExtended strand (participates in β ladder)trans-105-12.2-174.6-63.9-40.3000113.1D413 V417D413-D415 VanDerWaalsContact C-N 3.3Å; D413-D415 PolarHBondContact O-N 2.63Å; D413-D415 PolarHBondContact OD1-N 3.4Å; D413-D415 VanDerWaalsContact OD1-N 3.15Å; D415-V417 PolarHBondContact O-N 3.38Å
416A95.8Very high97.3Very high26 Ų2642.2 Ų42.222%0.21523%0.226CC..EExtended strand (participates in β ladder)trans-60.5135.7175.800000110.3D413 R440 G441 A442D413-A416 HydrophobicContact CB-CB 3.88Å; A416-R440 CarbonylContact O-C 3.5Å; A416-R440 WeakPolarHBondContact O-CA 3.45Å; A416-G441 PolarHBondContact O-N 3.45Å; A416-A442 HydrophobicContact CB-CB 3.78Å
417V96.1Very high97.2Very high85 Ų8542.2 Ų42.252%0.51523%0.227SC..EExtended strand (participates in β ladder)trans-113.7130.6173.7-179.80000108.2D415 E438 L439D415-V417 PolarHBondContact O-N 3.38Å; V417-E438 HydrophobicContact CG1-CB 4.41Å; V417-L439 WeakPolarHBondContact CA-O 3.28Å
418R93.9Very high97.1Very high98 Ų9844.7 Ų44.737%0.3725%0.247SC..EExtended strand (participates in β ladder)trans-126.5134.7176.2-68.9-169.6176.8176.98.2110.2L439 A442 P443R418-L439 PolarHBondContact N-O 2.97Å; R418-L439 PolarHBondContact O-N 3.17Å; R418-A442 HydrophobicContact CG-CB 4.26Å; R418-P443 PolarHBondContact NH2-O 2.96Å
419T97.5Very high96.9Very high68 Ų6844.4 Ų44.442%0.41725%0.246SC..EExtended strand (participates in β ladder)trans-87.6120.9166.9-48.70000108.5T421 M437 E438T419-T421 HydrophobicContact CG2-CG2 4.14Å; T419-T421 PolarHBondContact O-N 2.88Å; T419-M437 CarbonylContact C-O 3.52Å; T419-M437 WeakPolarHBondContact CA-O 3.27Å; T419-E438 HydrophobicContact CG2-CG 4.39Å
420I98.1Very high96.8Very high18 Ų1850.7 Ų50.79%0.09228%0.275CS..  trans-74.7124.4177.1-55.9-56000109.4E360 V363 N432 F434 G436 M437 L439E360-I420 HydrophobicContact CG-CD1 4.32Å; E360-I420 HydrophobicContact CG-CG2 3.9Å; V363-I420 HydrophobicContact CG1-CD1 4.31Å; I420-N432 WeakPolarHBondContact CG2-ND2 3.3Å; I420-F434 HydrophobicContact CB-CB 4.49Å; I420-F434 HydrophobicContact CG2-CB 4.07Å; I420-G436 PolarHBondContact O-N 2.99Å; I420-M437 PolarHBondContact N-O 2.59Å; I420-L439 HydrophobicContact CD1-CD1 4.13Å; I420-L439 HydrophobicContact CG1-CD1 3.65Å; I420-L439 HydrophobicContact CG1-CG 4.2Å
421T97.9Very high96.7Very high28 Ų2851.7 Ų51.717%0.17228%0.279CS..  trans-142.3145.2174.680.80000110.9T419 K423 T424 H425 E435T419-T421 HydrophobicContact CG2-CG2 4.14Å; T419-T421 PolarHBondContact O-N 2.88Å; T421-K423 PolarHBondContact O-N 3.44Å; T421-K423 PolarHBondContact OG1-N 3.37Å; T421-T424 PolarHBondContact O-N 3.29Å; T421-T424 PolarHBondContact O-OG1 2.79Å; T421-T424 PolarHBondContact OG1-N 3.02Å; T421-T424 PolarHBondContact OG1-OG1 3.42Å; T421-H425 PolarHBondContact O-N 2.87Å; T421-H425 VanDerWaalsContact O-N 3.12Å; T421-E435 WeakPolarHBondContact CA-OE2 3.32Å; T421-E435 WeakPolarHBondContact CB-OE1 2.98Å
422A97.6Very high96.7Very high20 Ų2052 Ų5217%0.16528%0.281CS..THydrogen-bonded Turntrans-61.9-20.1171.300000112.9T424 H425 N432 E435A422-T424 VanDerWaalsContact C-N 3.31Å; A422-T424 PolarHBondContact O-N 3.36Å; A422-H425 PolarHBondContact O-CD2 3.18Å; A422-H425 PolarHBondContact O-NE2 3.36Å; A422-H425 VanDerWaalsContact O-NE2 3.08Å; A422-N432 HydrophobicContact CB-CB 4.14Å; A422-E435 PolarHBondContact N-OE2 3.28Å
423K97Very high96.7Very high196 Ų19652.1 Ų52.185%0.85228%0.282SS*.THydrogen-bonded Turntrans-73.6-25178.3-67.2-178.8-179.3175.90113.2T421T421-K423 PolarHBondContact O-N 3.44Å; T421-K423 PolarHBondContact OG1-N 3.37Å
424T94.8Very high96.8Very high97 Ų9750.9 Ų50.960%0.59528%0.275SS*.THydrogen-bonded Turntrans-117.1-10.7-171.657.20000113.4T421 A422T421-T424 PolarHBondContact O-N 3.29Å; T421-T424 PolarHBondContact O-OG1 2.79Å; T421-T424 PolarHBondContact OG1-N 3.02Å; T421-T424 PolarHBondContact OG1-OG1 3.42Å; A422-T424 VanDerWaalsContact C-N 3.31Å; A422-T424 PolarHBondContact O-N 3.36Å
425H96.9Very high96.8Very high23 Ų2354.1 Ų54.111%0.10629%0.288CS..SBendtrans-68.5167.8173.373.9175.9000111.2T421 A422 S427 A429 Y431 N432T421-H425 PolarHBondContact O-N 2.87Å; T421-H425 VanDerWaalsContact O-N 3.12Å; A422-H425 PolarHBondContact O-CD2 3.18Å; A422-H425 PolarHBondContact O-NE2 3.36Å; A422-H425 VanDerWaalsContact O-NE2 3.08Å; H425-S427 PolarHBondContact NE2-O 2.95Å; H425-A429 PolarHBondContact CE1-O 2.79Å; H425-A429 PolarHBondContact NE2-O 3.42Å; H425-Y431 PolarHBondContact CE1-O 3.28Å; H425-N432 PolarHBondContact ND1-ND2 2.69Å
426N97.3Very high97Very high40 Ų4051.2 Ų51.221%0.21428%0.283CS..SBendtrans-105.512179.4-68-91.4000112Q91 A95 A98 E359Q91-N426 PolarHBondContact NE2-O 3.29Å; A95-N426 HydrophobicContact CB-CB 4.06Å; A98-N426 HydrophobicContact CB-CB 4.25Å; A98-N426 VanDerWaalsContact CB-ND2 3.35Å; A98-N426 WeakPolarHBondContact CB-ND2 3.45Å; E359-N426 PolarHBondContact OE1-N 2.83Å; E359-N426 PolarHBondContact OE1-ND2 2.82Å; E359-N426 WeakPolarHBondContact OE2-CA 3.38Å; E359-N426 WeakPolarHBondContact OE2-CB 3.25Å; E359-N426 PolarHBondContact OE2-N 3.49Å
427S96.9Very high97.1Very high11 Ų1152.2 Ų52.28%0.07728%0.284CS..SBendtrans-80.4155.9166.9166.60000110.5D87 H425 A429D87-S427 WeakPolarHBondContact OD1-CA 3.49Å; D87-S427 WeakPolarHBondContact OD2-CB 3.24Å; D87-S427 PolarHBondContact OD2-OG 3.03Å; H425-S427 PolarHBondContact NE2-O 2.95Å; S427-A429 VanDerWaalsContact C-N 3.29Å; S427-A429 WeakPolarHBondContact OG-CB 3.45Å; S427-A429 PolarHBondContact OG-N 3.39Å
428A96.7Very high97.2Very high52 Ų5254.9 Ų54.943%0.4329%0.291SS..SBendtrans-80-9.8170.400000113V86 D87 Q91V86-A428 HydrophobicContact CB-CB 4.23Å; V86-A428 HydrophobicContact CG2-CB 4.25Å; D87-A428 WeakPolarHBondContact OD1-CB 3.2Å; D87-A428 PolarHBondContact OD1-N 2.96Å; Q91-A428 HydrophobicContact CG-CB 4.1Å
429A95.3Very high97.4Very high3 Ų350.2 Ų50.23%0.02527%0.273CS..  trans-66.6136.2178.900000111.5V86 T335 H425 S427 Y431V86-A429 HydrophobicContact CG2-CB 4.19Å; T335-A429 HydrophobicContact CG2-CB 3.97Å; H425-A429 PolarHBondContact CE1-O 2.79Å; H425-A429 PolarHBondContact NE2-O 3.42Å; S427-A429 VanDerWaalsContact C-N 3.29Å; S427-A429 WeakPolarHBondContact OG-CB 3.45Å; S427-A429 PolarHBondContact OG-N 3.39Å; A429-Y431 PolarHBondContact O-N 2.87Å; A429-Y431 VanDerWaalsContact O-N 3.15Å
430E95.9Very high97.4Very high133 Ų13352.3 Ų52.362%0.62127%0.273SS*.SBendtrans-77.50.9-177.8-58.3166.3145.600113.4V338V338-E430 HydrophobicContact CG2-CB 4.47Å; V338-E430 PolarHBondContact N-OE2 3.13Å
431Y97.1Very high97.3Very high21 Ų2151.4 Ų51.48%0.08227%0.269CS..  trans-138.2163.8-176.565.3-101.3000111.1F336 V338 K341 H425 A429 V433F336-Y431 WeakPolarHBondContact O-CE1 3.29Å; F336-Y431 PolarHBondContact O-OH 2.87Å; V338-Y431 HydrophobicContact CG2-CD1 4.01Å; K341-Y431 WeakPolarHBondContact CE-OH 3.22Å; H425-Y431 PolarHBondContact CE1-O 3.28Å; A429-Y431 PolarHBondContact O-N 2.87Å; A429-Y431 VanDerWaalsContact O-N 3.15Å; Y431-V433 HydrophobicContact CD2-CG1 4.46Å; Y431-V433 HydrophobicContact CE2-CG1 4.28Å
432N98.5Very high97.3Very high7 Ų750.2 Ų50.24%0.03726%0.262CS..  trans-135127.6171.3-160.5-48.1000109.3N356 E360 I420 A422 H425 F434 E435N356-N432 PolarHBondContact ND2-ND2 3.23Å; N356-N432 PolarHBondContact ND2-OD1 3.4Å; N356-N432 WeakPolarHBondContact OD1-CA 3.35Å; E360-N432 PolarHBondContact OE1-ND2 3.16Å; I420-N432 WeakPolarHBondContact CG2-ND2 3.3Å; A422-N432 HydrophobicContact CB-CB 4.14Å; H425-N432 PolarHBondContact ND1-ND2 2.69Å; N432-F434 PolarHBondContact O-N 2.89Å; N432-F434 VanDerWaalsContact O-N 3.17Å; N432-F434 WeakPolarHBondContact OD1-CD2 3.21Å; N432-F434 PolarHBondContact OD1-N 3.35Å; N432-E435 WeakPolarHBondContact O-CB 3.19Å; N432-E435 PolarHBondContact O-N 3.17Å; N432-E435 VanDerWaalsContact O-N 3.13Å
433V98.4Very high97.3Very high3 Ų349.4 Ų49.42%0.01826%0.255CS..THydrogen-bonded Turntrans-68.4-11.3178.4-60.90000113S300 F301 V355 N356 Y431S300-V433 WeakPolarHBondContact O-CG1 3.05Å; F301-V433 HydrophobicContact CD1-CB 3.97Å; F301-V433 HydrophobicContact CD1-CG1 4.06Å; F301-V433 HydrophobicContact CE1-CB 3.59Å; F301-V433 HydrophobicContact CE1-CG1 4.09Å; F301-V433 VanDerWaalsContact CE1-O 3.3Å; F301-V433 WeakPolarHBondContact CE1-O 3.47Å; F301-V433 HydrophobicContact CG-CG1 4.3Å; F301-V433 HydrophobicContact CZ-CB 3.99Å; F301-V433 HydrophobicContact CZ-CG1 4.35Å; F301-V433 WeakPolarHBondContact CZ-O 3.41Å; V355-V433 HydrophobicContact CB-CG1 4.04Å; V355-V433 HydrophobicContact CB-CG2 4.42Å; V355-V433 HydrophobicContact CG1-CG1 3.88Å; N356-V433 PolarHBondContact OD1-N 2.86Å; Y431-V433 HydrophobicContact CD2-CG1 4.46Å; Y431-V433 HydrophobicContact CE2-CG1 4.28Å
434F98.6Very high97.3Very high1 Ų142.9 Ų42.90%0.00423%0.229CC..THydrogen-bonded Turntrans-107.419.2175.3-45.3-68.6000112.7T280 A281 T285 E360 L364 I420 N432 G436 M437T280-F434 HydrophobicContact CG2-CE2 3.8Å; T280-F434 HydrophobicContact CG2-CZ 3.65Å; A281-F434 HydrophobicContact CB-CZ 4.37Å; T285-F434 HydrophobicContact CG2-CD1 4.38Å; T285-F434 HydrophobicContact CG2-CE1 3.93Å; E360-F434 HydrophobicContact CB-CD2 3.98Å; E360-F434 HydrophobicContact CB-CE2 4.2Å; E360-F434 HydrophobicContact CG-CD2 3.9Å; E360-F434 HydrophobicContact CG-CE2 4.48Å; L364-F434 HydrophobicContact CD1-CD1 3.45Å; L364-F434 VanDerWaalsContact CD1-CD1 3.45Å; L364-F434 HydrophobicContact CD1-CD2 4.33Å; L364-F434 HydrophobicContact CD1-CE1 3.47Å; L364-F434 VanDerWaalsContact CD1-CE1 3.47Å; L364-F434 HydrophobicContact CD1-CE2 4.35Å; L364-F434 HydrophobicContact CD1-CG 3.91Å; L364-F434 HydrophobicContact CD1-CZ 3.94Å; I420-F434 HydrophobicContact CB-CB 4.49Å; I420-F434 HydrophobicContact CG2-CB 4.07Å; N432-F434 PolarHBondContact O-N 2.89Å; N432-F434 VanDerWaalsContact O-N 3.17Å; N432-F434 WeakPolarHBondContact OD1-CD2 3.21Å; N432-F434 PolarHBondContact OD1-N 3.35Å; F434-G436 PolarHBondContact O-N 2.93Å; F434-M437 HydrophobicContact CB-CE 4.38Å; F434-M437 HydrophobicContact CB-CG 4.36Å; F434-M437 HydrophobicContact CB-SD 3.8Å; F434-M437 HydrophobicContact CD1-CE 4.11Å; F434-M437 HydrophobicContact CD1-SD 4.03Å; F434-M437 HydrophobicContact CG-SD 4.37Å; F434-M437 WeakPolarHBondContact O-CB 3.34Å; F434-M437 VanDerWaalsContact O-CG 3.31Å; F434-M437 WeakPolarHBondContact O-CG 3.22Å; F434-M437 PolarHBondContact O-N 2.78Å; F434-M437 VanDerWaalsContact O-N 3.1Å
435E98.3Very high97.4Very high100 Ų10038.6 Ų38.647%0.46720%0.203SC..THydrogen-bonded Turntrans-50.4126.7-176.4-172.567.8-151.900112.7T421 A422 N432 M437T421-E435 WeakPolarHBondContact CA-OE2 3.32Å; T421-E435 WeakPolarHBondContact CB-OE1 2.98Å; A422-E435 PolarHBondContact N-OE2 3.28Å; N432-E435 WeakPolarHBondContact O-CB 3.19Å; N432-E435 PolarHBondContact O-N 3.17Å; N432-E435 VanDerWaalsContact O-N 3.13Å; E435-M437 VanDerWaalsContact C-N 3.3Å; E435-M437 PolarHBondContact O-N 3.49Å
436G98Very high97.5Very high46 Ų4637.5 Ų37.547%0.47420%0.198SC..THydrogen-bonded Turntrans81.10176.800000115I420 F434 E438I420-G436 PolarHBondContact O-N 2.99Å; F434-G436 PolarHBondContact O-N 2.93Å; G436-E438 PolarHBondContact O-N 3.2Å
437M98.3Very high97.6Very high46 Ų4635.6 Ų35.623%0.22719%0.188CC..  trans-68.2124.5174.8-68.1-173.4-175.600110.6G284 T419 I420 F434 E435 L439G284-M437 WeakPolarHBondContact O-CE 3.11Å; T419-M437 CarbonylContact C-O 3.52Å; T419-M437 WeakPolarHBondContact CA-O 3.27Å; I420-M437 PolarHBondContact N-O 2.59Å; F434-M437 HydrophobicContact CB-CE 4.38Å; F434-M437 HydrophobicContact CB-CG 4.36Å; F434-M437 HydrophobicContact CB-SD 3.8Å; F434-M437 HydrophobicContact CD1-CE 4.11Å; F434-M437 HydrophobicContact CD1-SD 4.03Å; F434-M437 HydrophobicContact CG-SD 4.37Å; F434-M437 WeakPolarHBondContact O-CB 3.34Å; F434-M437 VanDerWaalsContact O-CG 3.31Å; F434-M437 WeakPolarHBondContact O-CG 3.22Å; F434-M437 PolarHBondContact O-N 2.78Å; F434-M437 VanDerWaalsContact O-N 3.1Å; E435-M437 VanDerWaalsContact C-N 3.3Å; E435-M437 PolarHBondContact O-N 3.49Å; M437-L439 HydrophobicContact CB-CD2 4.04Å; M437-L439 HydrophobicContact CB-CG 4.12Å
438E98.1Very high97.6Very high141 Ų14135.3 Ų35.366%0.65919%0.185SC*.EExtended strand (participates in β ladder)trans-88112.4168-63.5-173.4159.500108.6V417 T419 G436V417-E438 HydrophobicContact CG1-CB 4.41Å; T419-E438 HydrophobicContact CG2-CG 4.39Å; G436-E438 PolarHBondContact O-N 3.2Å
439L97.6Very high97.6Very high0 Ų034.2 Ų34.20%017%0.171CC..EExtended strand (participates in β ladder)trans-117.5139-175.9-56.2178.8000110V363 L364 D367 V417 R418 I420 M437V363-L439 HydrophobicContact CG1-CD1 4.23Å; V363-L439 HydrophobicContact CG2-CB 3.56Å; V363-L439 HydrophobicContact CG2-CD1 4.06Å; V363-L439 HydrophobicContact CG2-CG 4.48Å; L364-L439 HydrophobicContact CB-CD1 4.27Å; D367-L439 HydrophobicContact CB-CB 3.99Å; D367-L439 HydrophobicContact CB-CD2 3.87Å; D367-L439 HydrophobicContact CB-CG 4.46Å; D367-L439 VanDerWaalsContact OD2-CD2 3.32Å; D367-L439 WeakPolarHBondContact OD2-CD2 3.4Å; V417-L439 WeakPolarHBondContact CA-O 3.28Å; R418-L439 PolarHBondContact N-O 2.97Å; R418-L439 PolarHBondContact O-N 3.17Å; I420-L439 HydrophobicContact CD1-CD1 4.13Å; I420-L439 HydrophobicContact CG1-CD1 3.65Å; I420-L439 HydrophobicContact CG1-CG 4.2Å; M437-L439 HydrophobicContact CB-CD2 4.04Å; M437-L439 HydrophobicContact CB-CG 4.12Å
440R97.8Very high97.7Very high112 Ų11234.1 Ų34.142%0.42317%0.171SC..EExtended strand (participates in β ladder)trans-87149172.1-172.4174.2-64.8-154.60.1110.6D367 T371 T414 A416D367-R440 PolarHBondContact OD1-N 3.45Å; T371-R440 HydrophobicContact CG2-CB 4.33Å; T414-R440 WeakPolarHBondContact O-CD 3.37Å; T414-R440 WeakPolarHBondContact O-CG 3.36Å; A416-R440 CarbonylContact O-C 3.5Å; A416-R440 WeakPolarHBondContact O-CA 3.45Å
441G96.9Very high97.7Very high0 Ų032.4 Ų32.40%016%0.161CC..EExtended strand (participates in β ladder)trans94.7134.6-177.500000111.6V363 W412 D413 A416V363-G441 WeakPolarHBondContact CG2-O 3.47Å; W412-G441 VanDerWaalsContact CZ2-C 3.46Å; D413-G441 CarbonylContact O-C 3.5Å; D413-G441 VanDerWaalsContact O-CA 3.27Å; D413-G441 WeakPolarHBondContact O-CA 3.43Å; A416-G441 PolarHBondContact O-N 3.45Å
442A96.7Very high97.6Very high2 Ų232.8 Ų32.82%0.01716%0.164CC..EExtended strand (participates in β ladder)trans-155.5150.9173.900000113.3D413 A416 R418 L444D413-A442 PolarHBondContact N-O 2.85Å; D413-A442 PolarHBondContact O-N 2.76Å; A416-A442 HydrophobicContact CB-CB 3.78Å; R418-A442 HydrophobicContact CG-CB 4.26Å; A442-L444 PolarHBondContact O-N 3.26Å
443P97.7Very high97.6Very high3 Ų333 Ų332%0.01917%0.166CC..EExtended strand (participates in β ladder)trans-70120.8166.130.8-33000109.3A98 V410 W412 R418 V446 L454A98-P443 VanDerWaalsContact O-CG 3.22Å; A98-P443 WeakPolarHBondContact O-CG 3.28Å; V410-P443 HydrophobicContact CG1-CB 3.79Å; W412-P443 HydrophobicContact CE3-CB 4.3Å; W412-P443 HydrophobicContact CZ3-CB 4.21Å; W412-P443 HydrophobicContact CZ3-CG 4.34Å; R418-P443 PolarHBondContact NH2-O 2.96Å; P443-V446 HydrophobicContact CB-CG2 3.78Å; P443-L454 HydrophobicContact CB-CD2 4.17Å; P443-L454 HydrophobicContact CG-CD2 4.21Å
444L97.1Very high97.6Very high60 Ų6033.3 Ų33.331%0.31417%0.167SC..EExtended strand (participates in β ladder)trans-89.4-46.5173.7-179.265.6000110.7K63 I411 A442K63-L444 HydrophobicContact CG-CD2 4.5Å; I411-L444 WeakPolarHBondContact O-CB 3.31Å; I411-L444 PolarHBondContact O-N 3.03Å; A442-L444 PolarHBondContact O-N 3.26Å
445V98.4Very high97.4Very high7 Ų735.4 Ų35.44%0.04218%0.177CC..EExtended strand (participates in β ladder)trans-131.9135.7174.9-176.80000108.6I58 V410 I411 I447 I452 L454 E455I58-V445 HydrophobicContact CD1-CG1 4.38Å; I58-V445 HydrophobicContact CG2-CG2 4.22Å; V410-V445 CarbonylContact C-O 3.58Å; V410-V445 WeakPolarHBondContact CA-O 3.29Å; I411-V445 HydrophobicContact CB-CB 3.98Å; I411-V445 HydrophobicContact CB-CG2 4.45Å; I411-V445 HydrophobicContact CD1-CB 3.94Å; I411-V445 HydrophobicContact CD1-CG1 4.41Å; I411-V445 HydrophobicContact CD1-CG2 4.12Å; I411-V445 HydrophobicContact CG1-CB 4.08Å; I411-V445 PolarHBondContact N-O 3.2Å; I411-V445 PolarHBondContact O-N 3.45Å; V445-I447 HydrophobicContact CG1-CG1 4.1Å; V445-I452 HydrophobicContact CG1-CG2 4.05Å; V445-L454 VanDerWaalsContact CA-O 3.23Å; V445-L454 WeakPolarHBondContact CA-O 3.23Å; V445-L454 WeakPolarHBondContact CG1-O 3.4Å; V445-E455 HydrophobicContact CG2-CG 4.41Å
446V98.7Very high96.8Very high0 Ų036.7 Ų36.70%019%0.187CC..EExtended strand (participates in β ladder)trans-121127.9173.1-177.70000108.2L97 T102 V410 P443 V453 L454L97-V446 HydrophobicContact CD2-CG1 4.24Å; L97-V446 WeakPolarHBondContact O-CG2 3.49Å; T102-V446 HydrophobicContact CG2-CG1 3.8Å; V410-V446 HydrophobicContact CG1-CG2 4.29Å; V410-V446 HydrophobicContact CG2-CG1 4.26Å; V410-V446 HydrophobicContact CG2-CG2 4.2Å; P443-V446 HydrophobicContact CB-CG2 3.78Å; V446-V453 HydrophobicContact CB-CG2 3.97Å; V446-V453 HydrophobicContact CG1-CG2 3.75Å; V446-V453 VanDerWaalsContact O-CG2 3.32Å; V446-V453 WeakPolarHBondContact O-CG2 3.36Å; V446-V453 PolarHBondContact O-N 3.33Å; V446-L454 HydrophobicContact CB-CB 3.75Å; V446-L454 HydrophobicContact CG2-CB 3.89Å; V446-L454 HydrophobicContact CG2-CD2 3.74Å; V446-L454 HydrophobicContact CG2-CG 4.45Å; V446-L454 PolarHBondContact N-O 2.94Å; V446-L454 PolarHBondContact O-N 3.48Å
447I98.4Very high96.4Very high0 Ų037.4 Ų37.40%019%0.194CC..EExtended strand (participates in β ladder)trans-116.3122.7179-52.5170.6000107L17 I19 M37 I58 D408 L409 V445 K451 I452L17-I447 HydrophobicContact CD1-CD1 4.16Å; L17-I447 HydrophobicContact CD1-CG1 4.45Å; L17-I447 HydrophobicContact CD1-CG2 3.82Å; I19-I447 HydrophobicContact CD1-CD1 3.7Å; I19-I447 HydrophobicContact CG1-CD1 4.22Å; M37-I447 HydrophobicContact CE-CB 4.37Å; M37-I447 HydrophobicContact CE-CD1 4.24Å; M37-I447 HydrophobicContact CE-CG2 3.58Å; M37-I447 HydrophobicContact SD-CD1 3.87Å; M37-I447 HydrophobicContact SD-CG2 4.3Å; I58-I447 HydrophobicContact CD1-CD1 3.81Å; D408-I447 CarbonylContact C-O 3.54Å; D408-I447 VanDerWaalsContact CA-O 3.3Å; D408-I447 WeakPolarHBondContact CA-O 3.29Å; L409-I447 HydrophobicContact CB-CB 4.38Å; L409-I447 HydrophobicContact CB-CD1 4.47Å; L409-I447 PolarHBondContact N-O 3.41Å; L409-I447 PolarHBondContact O-N 2.97Å; V445-I447 HydrophobicContact CG1-CG1 4.1Å; I447-K451 CarbonylContact C-O 3.24Å; I447-K451 VanDerWaalsContact CA-O 3.25Å; I447-K451 WeakPolarHBondContact CA-O 3.38Å; I447-K451 WeakPolarHBondContact CG2-O 3.35Å; I447-I452 HydrophobicContact CG1-CG1 4.27Å
448C97.9Very high96.1Very high4 Ų439.7 Ų39.73%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-125.6129.7177.4-174.80000108.7L97 T102 D408 G450 K451 V453L97-C448 HydrophobicContact CD2-CB 3.87Å; T102-C448 HydrophobicContact CG2-CB 4.4Å; D408-C448 WeakPolarHBondContact OD1-CA 3.37Å; C448-G450 PolarHBondContact O-N 3.14Å; C448-G450 VanDerWaalsContact O-N 3.16Å; C448-K451 PolarHBondContact N-O 3.33Å; C448-K451 PolarHBondContact O-N 2.84Å; C448-V453 HydrophobicContact CB-CG1 4.12Å; C448-V453 HydrophobicContact CB-CG2 4.07Å
449Q96.6Very high95.9Very high30 Ų3034.9 Ų34.914%0.1419%0.186CC..THydrogen-bonded Turntrans5136-174.2-52.617715.800112.9G40 D134 D408 K451 V465G40-Q449 WeakPolarHBondContact CA-O 3.43Å; D134-Q449 PolarHBondContact OD1-NE2 2.67Å; D408-Q449 PolarHBondContact OD1-N 3.25Å; Q449-K451 VanDerWaalsContact C-N 3.29Å; Q449-K451 PolarHBondContact O-N 3.41Å; Q449-V465 PolarHBondContact NE2-O 2.89Å; Q449-V465 PolarHBondContact OE1-O 2.8Å
450G96.1Very high95.8Very high1 Ų140.6 Ų40.61%0.0121%0.213CC..THydrogen-bonded Turntrans74.810-178.100000115.8L17 A407 C448L17-G450 WeakPolarHBondContact CD1-O 3.46Å; A407-G450 PolarHBondContact O-N 3.49Å; C448-G450 PolarHBondContact O-N 3.14Å; C448-G450 VanDerWaalsContact O-N 3.16Å
451K96Very high95.4Very high97 Ų9737.2 Ų37.242%0.42220%0.204SC..EExtended strand (participates in β ladder)trans-113.2136176.4-66.1171.6178.1169.20110.6D15 I447 C448 Q449 V453D15-K451 HydrophobicContact CB-CG 4.3Å; D15-K451 WeakPolarHBondContact OD2-CE 3.3Å; D15-K451 IonicContact OD2-NZ 2.8Å; I447-K451 CarbonylContact C-O 3.24Å; I447-K451 VanDerWaalsContact CA-O 3.25Å; I447-K451 WeakPolarHBondContact CA-O 3.38Å; I447-K451 WeakPolarHBondContact CG2-O 3.35Å; C448-K451 PolarHBondContact N-O 3.33Å; C448-K451 PolarHBondContact O-N 2.84Å; Q449-K451 VanDerWaalsContact C-N 3.29Å; Q449-K451 PolarHBondContact O-N 3.41Å; K451-V453 PolarHBondContact O-N 3.01Å
452I96.8Very high95.2Very high28 Ų2841.7 Ų41.714%0.14423%0.231CC..EExtended strand (participates in β ladder)trans-69.9114.5173.4-61.1167.2000108.1L17 K56 I58 V445 I447 E455L17-I452 HydrophobicContact CD1-CD1 4.42Å; L17-I452 HydrophobicContact CD1-CG1 3.85Å; L17-I452 HydrophobicContact CD2-CD1 3.97Å; L17-I452 HydrophobicContact CD2-CG1 4.26Å; K56-I452 HydrophobicContact CD-CD1 3.66Å; K56-I452 VanDerWaalsContact CE-CD1 3.41Å; I58-I452 HydrophobicContact CD1-CD1 3.58Å; I58-I452 HydrophobicContact CD1-CG1 3.88Å; I58-I452 HydrophobicContact CG1-CD1 4.09Å; V445-I452 HydrophobicContact CG1-CG2 4.05Å; I447-I452 HydrophobicContact CG1-CG1 4.27Å; I452-E455 HydrophobicContact CG2-CB 3.71Å
453V97.4Very high95.1Very high13 Ų1345.1 Ų45.18%0.07926%0.255CS..EExtended strand (participates in β ladder)trans-106.7-20.6179-64.10000112.4L97 V446 C448 K451 L459 H460L97-V453 HydrophobicContact CB-CG2 4.32Å; L97-V453 HydrophobicContact CD1-CB 4.4Å; L97-V453 HydrophobicContact CD1-CG2 4.2Å; L97-V453 HydrophobicContact CD2-CG2 3.81Å; L97-V453 HydrophobicContact CG-CG2 4.33Å; V446-V453 HydrophobicContact CB-CG2 3.97Å; V446-V453 HydrophobicContact CG1-CG2 3.75Å; V446-V453 VanDerWaalsContact O-CG2 3.32Å; V446-V453 WeakPolarHBondContact O-CG2 3.36Å; V446-V453 PolarHBondContact O-N 3.33Å; C448-V453 HydrophobicContact CB-CG1 4.12Å; C448-V453 HydrophobicContact CB-CG2 4.07Å; K451-V453 PolarHBondContact O-N 3.01Å; V453-L459 CarbonylContact O-C 2.96Å; V453-L459 WeakPolarHBondContact O-CA 3.37Å; V453-L459 VanDerWaalsContact O-CD1 3.28Å; V453-L459 WeakPolarHBondContact O-CD1 3.43Å; V453-H460 PolarHBondContact O-N 3.14Å
454L97.5Very high94.9Very high8 Ų846.6 Ų46.64%0.04227%0.27CS..EExtended strand (participates in β ladder)trans-132.9130.2170.3-176.273.5000108.7P443 V445 V446 N458 L459P443-L454 HydrophobicContact CB-CD2 4.17Å; P443-L454 HydrophobicContact CG-CD2 4.21Å; V445-L454 VanDerWaalsContact CA-O 3.23Å; V445-L454 WeakPolarHBondContact CA-O 3.23Å; V445-L454 WeakPolarHBondContact CG1-O 3.4Å; V446-L454 HydrophobicContact CB-CB 3.75Å; V446-L454 HydrophobicContact CG2-CB 3.89Å; V446-L454 HydrophobicContact CG2-CD2 3.74Å; V446-L454 HydrophobicContact CG2-CG 4.45Å; V446-L454 PolarHBondContact N-O 2.94Å; V446-L454 PolarHBondContact O-N 3.48Å; L454-N458 WeakPolarHBondContact CA-O 3.26Å; L454-L459 HydrophobicContact CB-CD1 3.94Å; L454-L459 HydrophobicContact CD1-CB 4.17Å; L454-L459 HydrophobicContact CD1-CD1 3.75Å; L454-L459 HydrophobicContact CG-CD1 4.41Å
455E95.1Very high94.8Very high46 Ų4646.1 Ų46.122%0.21527%0.27CS..EExtended strand (participates in β ladder)trans-154.1134.3172-174173.8-118.500108.8K56 V445 I452 G457 N458K56-E455 VanDerWaalsContact NZ-CD 3.29Å; K56-E455 IonicContact NZ-OE1 2.78Å; K56-E455 PolarHBondContact NZ-OE1 2.93Å; K56-E455 IonicContact NZ-OE2 2.99Å; K56-E455 PolarHBondContact NZ-OE2 2.91Å; V445-E455 HydrophobicContact CG2-CG 4.41Å; I452-E455 HydrophobicContact CG2-CB 3.71Å; E455-G457 PolarHBondContact O-N 3.24Å; E455-G457 VanDerWaalsContact O-N 3.14Å; E455-N458 PolarHBondContact N-O 3.18Å; E455-N458 VanDerWaalsContact N-O 3.09Å; E455-N458 WeakPolarHBondContact O-CB 3.1Å; E455-N458 PolarHBondContact O-N 3.39Å
456D86.7Confident94.7Very high127 Ų12746 Ų4668%0.67927%0.27SS*.THydrogen-bonded Turntrans52.736179.9-60.4-35.6000114.4N458D456-N458 PolarHBondContact O-N 2.99Å; D456-N458 PolarHBondContact O-ND2 3.25Å
457G88.1Confident94.6Very high60 Ų6050.4 Ų50.462%0.61929%0.287SS*.THydrogen-bonded Turntrans74.50.1-177.600000114.7E455E455-G457 PolarHBondContact O-N 3.24Å; E455-G457 VanDerWaalsContact O-N 3.14Å
458N93Very high94.6Very high95 Ų9551.8 Ų51.851%0.50829%0.293SS..EExtended strand (participates in β ladder)trans-95.4127.2176.5-60.5-67.5000110.4L454 E455 D456L454-N458 WeakPolarHBondContact CA-O 3.26Å; E455-N458 PolarHBondContact N-O 3.18Å; E455-N458 VanDerWaalsContact N-O 3.09Å; E455-N458 WeakPolarHBondContact O-CB 3.1Å; E455-N458 PolarHBondContact O-N 3.39Å; D456-N458 PolarHBondContact O-N 2.99Å; D456-N458 PolarHBondContact O-ND2 3.25Å
459L94.4Very high94.7Very high39 Ų3951.7 Ų51.720%0.20429%0.292CS..EExtended strand (participates in β ladder)trans-101.5119.4-178.4-165.173.9000110.6K94 L97 A98 V453 L454 V461K94-L459 HydrophobicContact CB-CD2 4.44Å; K94-L459 HydrophobicContact CD-CD2 4.05Å; K94-L459 HydrophobicContact CG-CD2 3.22Å; K94-L459 HydrophobicContact CG-CG 4.48Å; L97-L459 HydrophobicContact CB-CD1 4.26Å; A98-L459 HydrophobicContact CB-CD1 4.39Å; A98-L459 HydrophobicContact CB-CD2 4.23Å; V453-L459 CarbonylContact O-C 2.96Å; V453-L459 WeakPolarHBondContact O-CA 3.37Å; V453-L459 VanDerWaalsContact O-CD1 3.28Å; V453-L459 WeakPolarHBondContact O-CD1 3.43Å; L454-L459 HydrophobicContact CB-CD1 3.94Å; L454-L459 HydrophobicContact CD1-CB 4.17Å; L454-L459 HydrophobicContact CD1-CD1 3.75Å; L454-L459 HydrophobicContact CG-CD1 4.41Å; L459-V461 HydrophobicContact CD1-CG1 4.25Å; L459-V461 HydrophobicContact CD2-CG1 4.15Å; L459-V461 HydrophobicContact CD2-CG2 4.45Å; L459-V461 HydrophobicContact CG-CG1 3.88Å
460H93.7Very high94.8Very high121 Ų12153.4 Ų53.456%0.5631%0.305SS*.  trans-110.875.5-178.6-61-55.1000110.3V453V453-H460 PolarHBondContact O-N 3.14Å
461V90.7Very high94.9Very high40 Ų4053.4 Ų53.424%0.24231%0.306CS..  trans-101.5147.4179.8-71.10000112K94 L97 C132 L459K94-V461 HydrophobicContact CB-CG2 4.38Å; K94-V461 HydrophobicContact CD-CG2 4.01Å; K94-V461 HydrophobicContact CG-CG1 4.47Å; K94-V461 HydrophobicContact CG-CG2 3.83Å; L97-V461 HydrophobicContact CD1-CG1 3.52Å; C132-V461 HydrophobicContact CB-CB 4.17Å; C132-V461 HydrophobicContact CB-CG1 4.17Å; L459-V461 HydrophobicContact CD1-CG1 4.25Å; L459-V461 HydrophobicContact CD2-CG1 4.15Å; L459-V461 HydrophobicContact CD2-CG2 4.45Å; L459-V461 HydrophobicContact CG-CG1 3.88Å
462T92.3Very high95Very high94 Ų9451.8 Ų51.858%0.57731%0.305SS*.  trans-124.7123.6170.5-580000107.3V465T462-V465 HydrophobicContact CG2-CG1 3.72Å; T462-V465 WeakPolarHBondContact O-CG1 3.36Å; T462-V465 WeakPolarHBondContact O-CG2 3.47Å
463C94.1Very high95Very high75 Ų7552.4 Ų52.451%0.50731%0.311SS..THydrogen-bonded Turntrans-65.6145.1178.4-54.60000110.9V465C463-V465 VanDerWaalsContact C-N 3.31Å; C463-V465 PolarHBondContact O-N 3.48Å
464G93.6Very high95.1Very high33 Ų3355.4 Ų55.434%0.3432%0.323SS..THydrogen-bonded Turntrans77.610.2176.900000114.8D128 E129 K130 A131D128-G464 WeakPolarHBondContact O-CA 3.38Å; E129-G464 WeakPolarHBondContact O-CA 3.34Å; K130-G464 PolarHBondContact O-N 2.91Å; A131-G464 WeakPolarHBondContact O-CA 3.43Å; A131-G464 PolarHBondContact O-N 2.99Å
465V95Very high95.1Very high51 Ų5155 Ų5531%0.30932%0.321SS..  trans-85.7-19.7171.7-56.30000112.4A131 C132 Q449 T462 C463A131-V465 PolarHBondContact O-N 3.32Å; C132-V465 WeakPolarHBondContact O-CG2 3.21Å; Q449-V465 PolarHBondContact NE2-O 2.89Å; Q449-V465 PolarHBondContact OE1-O 2.8Å; T462-V465 HydrophobicContact CG2-CG1 3.72Å; T462-V465 WeakPolarHBondContact O-CG1 3.36Å; T462-V465 WeakPolarHBondContact O-CG2 3.47Å; C463-V465 VanDerWaalsContact C-N 3.31Å; C463-V465 PolarHBondContact O-N 3.48Å
466G95.8Very high95.2Very high5 Ų556.3 Ų56.35%0.05233%0.329CS..  trans-60.3134.8175.200000111.4A131 C133A131-G466 WeakPolarHBondContact O-CA 3.3Å; A131-G466 PolarHBondContact O-N 3.41Å; C133-G466 VanDerWaalsContact C-CA 3.45Å; C133-G466 WeakPolarHBondContact O-CA 3.4Å
467R98Very high95.7Very high91 Ų9154 Ų5434%0.34331%0.313SS..  trans-105.2137.6179.9-54.3167.4-60.11784.7109.5D134 Y135 D406 I469D134-R467 WeakPolarHBondContact CA-O 3.26Å; D134-R467 WeakPolarHBondContact OD1-CB 3.39Å; D134-R467 IonicContact OD1-CZ 2.68Å; D134-R467 PolarHBondContact OD1-N 3.32Å; D134-R467 IonicContact OD1-NE 3.38Å; D134-R467 PolarHBondContact OD1-NE 2.71Å; D134-R467 IonicContact OD1-NH2 3.78Å; D134-R467 IonicContact OD2-CZ 2.93Å; D134-R467 IonicContact OD2-NE 2.77Å; D134-R467 IonicContact OD2-NH2 3.66Å; D134-R467 PolarHBondContact OD2-NH2 2.96Å; Y135-R467 PolarHBondContact N-O 3.35Å; D406-R467 IonicContact OD2-NH2 3.9Å; R467-I469 HydrophobicContact CB-CD1 4.19Å; R467-I469 PolarHBondContact O-N 3.39Å
468F98.8Very high96.1Very high30 Ų3051.1 Ų51.113%0.13228%0.284CS..BIsolated β-bridgetrans-63.5126.7163.9177.9-104.7000110.3Y120 R124 Y135 L137 K159 P470Y120-F468 HydrophobicContact CE2-CE2 4.46Å; Y120-F468 HydrophobicContact CE2-CZ 4.34Å; Y120-F468 VanDerWaalsContact OH-CZ 3.29Å; Y120-F468 WeakPolarHBondContact OH-CZ 3.44Å; R124-F468 VanDerWaalsContact CZ-CG 3.47Å; R124-F468 VanDerWaalsContact NH1-CD1 3.29Å; Y135-F468 HydrophobicContact CD2-CD2 4.31Å; Y135-F468 HydrophobicContact CE1-CB 4.02Å; Y135-F468 HydrophobicContact CE2-CB 4.37Å; Y135-F468 AromaticContact CE2-CD2 3.8Å; Y135-F468 HydrophobicContact CE2-CD2 3.8Å; Y135-F468 CarbonylContact O-C 3.54Å; Y135-F468 WeakPolarHBondContact O-CA 3.43Å; L137-F468 HydrophobicContact CB-CE2 4.42Å; L137-F468 HydrophobicContact CD1-CE2 4.39Å; L137-F468 HydrophobicContact CG-CE2 4.24Å; K159-F468 WeakPolarHBondContact O-CE1 3.28Å; K159-F468 WeakPolarHBondContact O-CZ 3.36Å; F468-P470 HydrophobicContact CE1-CB 4.03Å
469I98.7Very high96.4Very high2 Ų246.7 Ų46.71%0.0126%0.26CS..  trans-107107.8178.2-50.5-56.8000108.3M103 D134 Y135 S136 L394 R467 C471M103-I469 HydrophobicContact CE-CB 4.03Å; M103-I469 HydrophobicContact CE-CG1 4.27Å; D134-I469 HydrophobicContact CB-CD1 4.13Å; D134-I469 HydrophobicContact CB-CG1 3.82Å; Y135-I469 PolarHBondContact O-N 2.84Å; S136-I469 WeakPolarHBondContact CB-O 3.41Å; S136-I469 PolarHBondContact OG-O 2.96Å; L394-I469 HydrophobicContact CD1-CG2 3.87Å; L394-I469 HydrophobicContact CD2-CG2 3.61Å; L394-I469 HydrophobicContact CG-CG2 4.38Å; R467-I469 HydrophobicContact CB-CD1 4.19Å; R467-I469 PolarHBondContact O-N 3.39Å; I469-C471 PolarHBondContact O-N 3.42Å
470P98.4Very high96.5Very high65 Ų6551 Ų5142%0.42228%0.277SS..  trans-66.9135.9176.527.3-33.3000110F468 P472F468-P470 HydrophobicContact CE1-CB 4.03Å; P470-P472 WeakPolarHBondContact O-CD 3.29Å
471C98.4Very high96.6Very high2 Ų250 Ų501%0.01427%0.268CS..  trans-104.7102.5179.6-66.30000109.4S136 G160 N162 L392 I469S136-C471 PolarHBondContact OG-SG 3.16Å; G160-C471 CarbonylContact C-O 3.5Å; G160-C471 PolarHBondContact O-N 3.4Å; N162-C471 HydrophobicContact CB-CB 4.43Å; N162-C471 WeakPolarHBondContact CB-O 3.33Å; L392-C471 VanDerWaalsContact O-CB 3.28Å; L392-C471 WeakPolarHBondContact O-CB 3.46Å; I469-C471 PolarHBondContact O-N 3.42Å
472P97.8Very high96.9Very high62 Ų6248.5 Ų48.540%0.40326%0.259SS..  trans-66148.8-176.8-20.232.3000112.4N162 N393 P470N162-P472 PolarHBondContact ND2-O 3.03Å; N393-P472 WeakPolarHBondContact CB-O 3.36Å; N393-P472 PolarHBondContact ND2-O 3.24Å; P470-P472 WeakPolarHBondContact O-CD 3.29Å
473P98.2Very high97Very high41 Ų4148.7 Ų48.727%0.26625%0.251SS..SBendtrans-68.1171.4177.428.5-34.7000112.8I156 N393I156-P473 HydrophobicContact CG2-CB 3.8Å; I156-P473 HydrophobicContact CG2-CG 4.03Å; N393-P473 PolarHBondContact ND2-O 2.88Å
474F98.2Very high97Very high77 Ų7747.4 Ų47.434%0.33825%0.246SC..SBendtrans56.551.8-177.7-57.6-83.1000114.2E190 R191 G192 D476 Y479E190-F474 WeakPolarHBondContact O-CZ 3.38Å; R191-F474 VanDerWaalsContact O-CE2 3.29Å; R191-F474 WeakPolarHBondContact O-CE2 3.48Å; G192-F474 VanDerWaalsContact CA-CD1 3.4Å; G192-F474 VanDerWaalsContact CA-CE1 3.43Å; G192-F474 PolarHBondContact O-N 2.87Å; F474-D476 PolarHBondContact O-N 3.32Å; F474-D476 VanDerWaalsContact O-N 3.09Å; F474-Y479 HydrophobicContact CB-CG 4.42Å; F474-Y479 AromaticContact CD1-CD1 3.75Å; F474-Y479 HydrophobicContact CD1-CD1 3.75Å; F474-Y479 HydrophobicContact CD1-CE1 4Å; F474-Y479 HydrophobicContact CD1-CG 4.09Å; F474-Y479 HydrophobicContact CE1-CD1 4.36Å; F474-Y479 HydrophobicContact CE1-CE1 4.29Å
475P98.1Very high97Very high0 Ų049.6 Ų49.60%024%0.244CC..  trans-52.6120.9173.917-27.2000110.2I194 I391 N393 F477 A478 Y479I194-P475 HydrophobicContact CD1-CG 3.66Å; I194-P475 HydrophobicContact CG1-CG 3.98Å; I391-P475 WeakPolarHBondContact O-CB 3.38Å; I391-P475 WeakPolarHBondContact O-CG 3.49Å; N393-P475 HydrophobicContact CB-CB 3.93Å; P475-F477 PolarHBondContact O-N 3.03Å; P475-F477 VanDerWaalsContact O-N 3.1Å; P475-A478 HydrophobicContact CG-CB 4.23Å; P475-A478 PolarHBondContact O-N 2.99Å; P475-Y479 HydrophobicContact CG-CD2 4.07Å; P475-Y479 HydrophobicContact CG-CE2 4.37Å; P475-Y479 WeakPolarHBondContact O-CB 3.41Å; P475-Y479 PolarHBondContact O-N 3.07Å
476D97.8Very high96.8Very high72 Ų7253.8 Ų53.839%0.38526%0.258SS..Hα-helixtrans-56.5-33.9-174.7-100.4-4.3000112.2F474 A478 Y479 K480F474-D476 PolarHBondContact O-N 3.32Å; F474-D476 VanDerWaalsContact O-N 3.09Å; D476-A478 VanDerWaalsContact C-N 3.28Å; D476-A478 PolarHBondContact O-N 3.26Å; D476-Y479 PolarHBondContact O-N 3.19Å; D476-K480 HydrophobicContact CB-CD 4Å; D476-K480 HydrophobicContact CB-CG 4.17Å; D476-K480 VanDerWaalsContact O-CB 3.3Å; D476-K480 WeakPolarHBondContact O-CB 3.38Å; D476-K480 WeakPolarHBondContact O-CG 3.46Å; D476-K480 PolarHBondContact O-N 3.1Å; D476-K480 WeakPolarHBondContact OD2-CE 3.44Å; D476-K480 IonicContact OD2-NZ 3.87Å; D476-K480 PolarHBondContact OD2-NZ 3.24Å
477F97.3Very high96.6Very high78 Ų7861 Ų6134%0.34229%0.29SS..Hα-helixtrans-58.8-37.1177.8-171.5-120.9000113.1F275 K390 I391 P475F275-F477 HydrophobicContact CD1-CE1 4.08Å; F275-F477 AromaticContact CE1-CD1 3.77Å; F275-F477 HydrophobicContact CE1-CD1 3.77Å; F275-F477 AromaticContact CE1-CE1 3.34Å; F275-F477 HydrophobicContact CE1-CE1 3.34Å; F275-F477 HydrophobicContact CE1-CZ 4.08Å; F275-F477 AromaticContact CZ-CD1 3.93Å; F275-F477 HydrophobicContact CZ-CD1 3.93Å; F275-F477 AromaticContact CZ-CE1 3.99Å; F275-F477 HydrophobicContact CZ-CE1 3.99Å; K390-F477 HydrophobicContact CB-CB 3.93Å; K390-F477 HydrophobicContact CB-CD1 3.89Å; K390-F477 HydrophobicContact CB-CD2 4.17Å; K390-F477 HydrophobicContact CB-CE1 4.41Å; K390-F477 HydrophobicContact CB-CG 3.75Å; K390-F477 HydrophobicContact CD-CD2 4.15Å; K390-F477 HydrophobicContact CD-CE2 4.21Å; I391-F477 HydrophobicContact CD1-CE1 4.43Å; I391-F477 HydrophobicContact CG1-CD1 3.78Å; I391-F477 HydrophobicContact CG1-CE1 3.92Å; P475-F477 PolarHBondContact O-N 3.03Å; P475-F477 VanDerWaalsContact O-N 3.1Å
478A96.5Very high96.1Very high0 Ų064 Ų640%031%0.313CS..Hα-helixtrans-91.2-43.1175.500000112I194 P249 F275 P475 D476I194-A478 HydrophobicContact CD1-CB 4.29Å; P249-A478 HydrophobicContact CB-CB 3.94Å; P249-A478 HydrophobicContact CG-CB 3.98Å; F275-A478 HydrophobicContact CE2-CB 4Å; F275-A478 HydrophobicContact CZ-CB 4.16Å; P475-A478 HydrophobicContact CG-CB 4.23Å; P475-A478 PolarHBondContact O-N 2.99Å; D476-A478 VanDerWaalsContact C-N 3.28Å; D476-A478 PolarHBondContact O-N 3.26Å
479Y98.3Very high95.5Very high2 Ų266 Ų661%0.00833%0.334CS..Hα-helixtrans-91.7-19-163.6-85-89.3000116.2L188 G192 G193 P249 F474 P475 D476 R481 I482 K483L188-Y479 PolarHBondContact O-OH 3.34Å; L188-Y479 VanDerWaalsContact O-OH 3.11Å; G192-Y479 VanDerWaalsContact C-CZ 3.48Å; G192-Y479 VanDerWaalsContact CA-OH 3.25Å; G192-Y479 WeakPolarHBondContact CA-OH 3.42Å; G192-Y479 WeakPolarHBondContact O-CE2 3.26Å; G193-Y479 PolarHBondContact N-OH 3.29Å; G193-Y479 VanDerWaalsContact N-OH 3.09Å; G193-Y479 PolarHBondContact O-OH 3.14Å; P249-Y479 HydrophobicContact CG-CD2 4.21Å; P249-Y479 HydrophobicContact CG-CE1 4.31Å; P249-Y479 HydrophobicContact CG-CE2 3.77Å; F474-Y479 HydrophobicContact CB-CG 4.42Å; F474-Y479 AromaticContact CD1-CD1 3.75Å; F474-Y479 HydrophobicContact CD1-CD1 3.75Å; F474-Y479 HydrophobicContact CD1-CE1 4Å; F474-Y479 HydrophobicContact CD1-CG 4.09Å; F474-Y479 HydrophobicContact CE1-CD1 4.36Å; F474-Y479 HydrophobicContact CE1-CE1 4.29Å; P475-Y479 HydrophobicContact CG-CD2 4.07Å; P475-Y479 HydrophobicContact CG-CE2 4.37Å; P475-Y479 WeakPolarHBondContact O-CB 3.41Å; P475-Y479 PolarHBondContact O-N 3.07Å; D476-Y479 PolarHBondContact O-N 3.19Å; Y479-R481 VanDerWaalsContact C-N 3.3Å; Y479-R481 PolarHBondContact O-N 3.46Å; Y479-I482 HydrophobicContact CD1-CB 4.21Å; Y479-I482 HydrophobicContact CD1-CG2 4.09Å; Y479-I482 HydrophobicContact CE1-CG2 4.32Å; Y479-I482 PolarHBondContact O-N 3.39Å; Y479-K483 WeakPolarHBondContact O-CB 3.48Å; Y479-K483 WeakPolarHBondContact O-CG 3.5Å; Y479-K483 PolarHBondContact O-N 3.28Å
480K97.2Very high94.9Very high129 Ų12970.3 Ų70.356%0.56136%0.361SS*.Hα-helixtrans-56.6-45.1177.3-83.3176167.7150.20111.9D476 A484D476-K480 HydrophobicContact CB-CD 4Å; D476-K480 HydrophobicContact CB-CG 4.17Å; D476-K480 VanDerWaalsContact O-CB 3.3Å; D476-K480 WeakPolarHBondContact O-CB 3.38Å; D476-K480 WeakPolarHBondContact O-CG 3.46Å; D476-K480 PolarHBondContact O-N 3.1Å; D476-K480 WeakPolarHBondContact OD2-CE 3.44Å; D476-K480 IonicContact OD2-NZ 3.87Å; D476-K480 PolarHBondContact OD2-NZ 3.24Å; K480-A484 PolarHBondContact O-N 2.99Å
481R95.6Very high94.4Very high100 Ų10075.4 Ų75.438%0.37738%0.384SS..Hα-helixtrans-69.5-38.9177.5-65.4-172-64.8166.8-0.1112.4V273 Y479 A484 R485V273-R481 HydrophobicContact CG2-CB 4.25Å; Y479-R481 VanDerWaalsContact C-N 3.3Å; Y479-R481 PolarHBondContact O-N 3.46Å; R481-A484 PolarHBondContact O-N 3.37Å; R481-R485 VanDerWaalsContact O-CG 3.3Å; R481-R485 WeakPolarHBondContact O-CG 3.24Å; R481-R485 PolarHBondContact O-N 2.97Å
482I96Very high94Very high9 Ų985.8 Ų85.85%0.04642%0.423CS..Hα-helixtrans-61.9-46.2177.4-65.1-55.4000111.3N247 P249 V273 Y479 A484 R485 K486N247-I482 PolarHBondContact ND2-O 3.06Å; N247-I482 WeakPolarHBondContact O-CD1 3.49Å; N247-I482 WeakPolarHBondContact O-CG2 3.33Å; N247-I482 WeakPolarHBondContact OD1-CD1 3.49Å; P249-I482 HydrophobicContact CG-CD1 4.46Å; P249-I482 HydrophobicContact CG-CG1 3.88Å; V273-I482 HydrophobicContact CB-CD1 3.95Å; V273-I482 HydrophobicContact CG1-CD1 4.48Å; V273-I482 HydrophobicContact CG2-CD1 3.52Å; V273-I482 HydrophobicContact CG2-CG1 4.16Å; Y479-I482 HydrophobicContact CD1-CB 4.21Å; Y479-I482 HydrophobicContact CD1-CG2 4.09Å; Y479-I482 HydrophobicContact CE1-CG2 4.32Å; Y479-I482 PolarHBondContact O-N 3.39Å; I482-A484 PolarHBondContact O-N 3.49Å; I482-R485 PolarHBondContact O-N 3.3Å; I482-K486 PolarHBondContact O-N 3.33Å
483K95.3Very high93.8Very high98 Ų9887.3 Ų87.343%0.42644%0.441SS..Hα-helixtrans-58.9-46.8177.2-72.2173-177.8173.60111.2Y479 K486 Q487Y479-K483 WeakPolarHBondContact O-CB 3.48Å; Y479-K483 WeakPolarHBondContact O-CG 3.5Å; Y479-K483 PolarHBondContact O-N 3.28Å; K483-K486 PolarHBondContact O-N 2.88Å; K483-Q487 WeakPolarHBondContact O-CG 3.33Å; K483-Q487 PolarHBondContact O-N 3.48Å
484A94.6Very high93.7Very high48 Ų4889.8 Ų89.840%0.39746%0.455SS..Hα-helixtrans-62.6-42.717700000112.6K480 R481 I482 K486 Q487 L488K480-A484 PolarHBondContact O-N 2.99Å; R481-A484 PolarHBondContact O-N 3.37Å; I482-A484 PolarHBondContact O-N 3.49Å; A484-K486 PolarHBondContact O-N 3.17Å; A484-Q487 PolarHBondContact O-N 3.42Å; A484-L488 PolarHBondContact O-N 3.34Å
485R93.1Very high93.5Very high80 Ų8092.1 Ų92.130%0.30248%0.478SS..Hα-helixtrans-61.3-44.4176.3-74169.8-159.7-159.5-1.2112.6G271 R481 I482 Q487 L488 A489G271-R485 PolarHBondContact O-NH1 2.72Å; G271-R485 PolarHBondContact O-NH2 3.33Å; R481-R485 VanDerWaalsContact O-CG 3.3Å; R481-R485 WeakPolarHBondContact O-CG 3.24Å; R481-R485 PolarHBondContact O-N 2.97Å; I482-R485 PolarHBondContact O-N 3.3Å; R485-Q487 PolarHBondContact O-N 2.97Å; R485-L488 PolarHBondContact O-N 2.87Å; R485-A489 VanDerWaalsContact O-CB 3.3Å; R485-A489 WeakPolarHBondContact O-CB 3.3Å; R485-A489 PolarHBondContact O-N 3.05Å
486K90.9Very high93.3Very high139 Ų139101.9 Ų101.960%0.60451%0.514SS*.Hα-helixtrans-59.5-35.1-179.3-171.8171.6-177.8170.50112I482 K483 A484I482-K486 PolarHBondContact O-N 3.33Å; K483-K486 PolarHBondContact O-N 2.88Å; A484-K486 PolarHBondContact O-N 3.17Å
487Q90.5Very high93.1Very high155 Ų155101.9 Ų101.972%0.72453%0.532SS*.Hα-helixtrans-69.8-31.2176.7-68.9173.9-9.100113.2K483 A484 R485K483-Q487 WeakPolarHBondContact O-CG 3.33Å; K483-Q487 PolarHBondContact O-N 3.48Å; A484-Q487 PolarHBondContact O-N 3.42Å; R485-Q487 PolarHBondContact O-N 2.97Å
488L89.2Confident92.8Very high155 Ų155107 Ų10781%0.81256%0.559SS**Hα-helixtrans-90.2-29.4-179-65.4175.6000113.2A484 R485 V490A484-L488 PolarHBondContact O-N 3.34Å; R485-L488 PolarHBondContact O-N 2.87Å; L488-V490 PolarHBondContact O-N 3.4Å
489A85.8Confident92.7Very high71 Ų71114.6 Ų114.659%0.58759%0.589SS**  trans-79.539.6-176.500000113.6R485 L491R485-A489 VanDerWaalsContact O-CB 3.3Å; R485-A489 WeakPolarHBondContact O-CB 3.3Å; R485-A489 PolarHBondContact O-N 3.05Å; A489-L491 PolarHBondContact O-N 3.28Å; A489-L491 VanDerWaalsContact O-N 3.17Å
490V86.3Confident92.4Very high94 Ų94122.1 Ų122.157%0.5763%0.629SS**  trans-73.1109.2177.3-178.30000109.1L488 R492L488-V490 PolarHBondContact O-N 3.4Å; V490-R492 PolarHBondContact O-N 2.95Å
491L87.3Confident92.2Very high172 Ų172117.2 Ų117.290%0.90162%0.615SS**  trans-64.6128.2174.4-61.9177.9000109.9A489A489-L491 PolarHBondContact O-N 3.28Å; A489-L491 VanDerWaalsContact O-N 3.17Å
492R90.7Very high91.9Very high219 Ų219118.2 Ų118.283%0.82664%0.635SS**  trans-122121.8177.1-65.2-176.9-177-175.80.5109.4V490V490-R492 PolarHBondContact O-N 2.95Å
493A93.3Very high91.5Very high95 Ų95123.6 Ų123.679%0.78567%0.668SS**PPolyproline II helixtrans-67.4139.416900000109.1P495A493-P495 WeakPolarHBondContact O-CD 3.34Å
494V95.6Very high91.2Very high92 Ų92124 Ų12456%0.55868%0.683SS**PPolyproline II helixtrans-69.8119.7169.1178.70000107.5R496V494-R496 HydrophobicContact CG1-CG 4.25Å; V494-R496 PolarHBondContact O-N 3.38Å
495P93.4Very high90.5Very high126 Ų126131.1 Ų131.182%0.81871%0.708SS**PPolyproline II helixtrans-65.3121.9173.827.5-32.4000108.4A493A493-P495 WeakPolarHBondContact O-CD 3.34Å
496R94.9Very high89.7Confident205 Ų205135.7 Ų135.777%0.77473%0.73SS**  trans-121147.2176.2-64.3-173-179.892.3-3.8108.9V494V494-R496 HydrophobicContact CG1-CG 4.25Å; V494-R496 PolarHBondContact O-N 3.38Å
497G93.1Very high88.7Confident73 Ų73134.5 Ų134.575%0.75374%0.74SS**PPolyproline II helixtrans-62.5161.2166.800000111Y499G497-Y499 PolarHBondContact O-N 3.34Å
498M91.4Very high87.4Confident184 Ų184132.6 Ų132.691%0.90673%0.732SS**PPolyproline II helixtrans-59.3132.1169.4-69.9-67.1-71.700108.8D500M498-D500 PolarHBondContact O-N 3.41Å
499Y94Very high85.7Confident160 Ų160130.9 Ų130.963%0.62773%0.733SS**PPolyproline II helixtrans-67.2121.7174.4178.1-104000109.5G497 G501 P502 V503G497-Y499 PolarHBondContact O-N 3.34Å; Y499-G501 VanDerWaalsContact CE1-C 3.41Å; Y499-G501 WeakPolarHBondContact CE1-O 3.08Å; Y499-G501 VanDerWaalsContact CZ-CA 3.45Å; Y499-P502 PolarHBondContact OH-O 3.23Å; Y499-V503 HydrophobicContact CD1-CG2 4.03Å; Y499-V503 HydrophobicContact CE1-CG2 3.72Å
500D92Very high84.1Confident160 Ų160137 Ų13786%0.85674%0.741SS**  trans-109.62.3-177.361.6-14.8000113.2M498M498-D500 PolarHBondContact O-N 3.41Å
501G93Very high82.2Confident26 Ų26136.4 Ų136.427%0.26875%0.754SS.*SBendtrans-78.7169.6176.500000113.9Y499Y499-G501 VanDerWaalsContact CE1-C 3.41Å; Y499-G501 WeakPolarHBondContact CE1-O 3.08Å; Y499-G501 VanDerWaalsContact CZ-CA 3.45Å
502P89.4Confident80Confident122 Ų122131.8 Ų131.879%0.79275%0.748SS**  trans-66.6133.7177.228-34000111.5Y499Y499-P502 PolarHBondContact OH-O 3.23Å
503V88.7Confident77.4Confident121 Ų121128.1 Ų128.173%0.73375%0.75SS**  trans-104.9128.8171.9-177.80000108.7Y499Y499-V503 HydrophobicContact CD1-CG2 4.03Å; Y499-V503 HydrophobicContact CE1-CG2 3.72Å
504S88.4Confident75.2Confident107 Ų107129.8 Ų129.875%0.74875%0.753SS**  trans-66.2132.9174-176.90000110.2F506S504-F506 PolarHBondContact O-N 3.13Å
505E79.9Confident72.3Confident198 Ų198131.4 Ų131.493%0.92577%0.768SS**  trans-66.398.1174.2-71.5-171.2173.300110.2
506F76.6Confident69.5Low176 Ų176130 Ų13077%0.77277%0.767SS**  trans-114.8105.7170-169.3-96.5000108.8S504 M508S504-F506 PolarHBondContact O-N 3.13Å; F506-M508 HydrophobicContact CD1-CG 4.23Å; F506-M508 HydrophobicContact CE1-CG 4.3Å; F506-M508 PolarHBondContact O-N 2.8Å; F506-M508 VanDerWaalsContact O-N 3.13Å
507S70Confident66.7Low114 Ų114125.6 Ų125.680%0.79777%0.768SS**  trans-73103.6177.2-175.50000109.9S509S507-S509 PolarHBondContact O-N 3.42Å
508M61.8Low63.8Low115 Ų115127 Ų12757%0.56777%0.772SS**  trans-76.9111.1159-75.3-159.2-61.500108.2F506 R510F506-M508 HydrophobicContact CD1-CG 4.23Å; F506-M508 HydrophobicContact CE1-CG 4.3Å; F506-M508 PolarHBondContact O-N 2.8Å; F506-M508 VanDerWaalsContact O-N 3.13Å; M508-R510 HydrophobicContact CB-CG 4.36Å; M508-R510 VanDerWaalsContact CE-NE 3.34Å; M508-R510 PolarHBondContact O-N 3.47Å
509S53.2Low61Low119 Ų119129.2 Ų129.283%0.83277%0.77SS**  trans-66.980.2165.957.20000109.7S507S507-S509 PolarHBondContact O-N 3.42Å
510R53Low58Low198 Ų198128.4 Ų128.475%0.74778%0.782SS**PPolyproline II helixtrans-84.2120.3166.8-72.9-170.4-177.8-1691.6108.3M508 G512M508-R510 HydrophobicContact CB-CG 4.36Å; M508-R510 VanDerWaalsContact CE-NE 3.34Å; M508-R510 PolarHBondContact O-N 3.47Å; R510-G512 PolarHBondContact O-N 2.93Å
511G46.7Very low55.2Low82 Ų82126.2 Ų126.285%0.84578%0.78SS**PPolyproline II helixtrans-51.3128.8172.300000110.8
512G40.7Very low53.2Low75 Ų75130.3 Ų130.377%0.77380%0.802SS**PPolyproline II helixtrans-81.7158.8-164.600000115.6R510R510-G512 PolarHBondContact O-N 2.93Å
513T36.7Very low50.5Low142 Ų142131.7 Ų131.787%0.87181%0.808SS**PPolyproline II helixtrans-91.4132.5148.430.30000108.4
514P46.2Very low48.3Very low131 Ų131135.6 Ų135.685%0.85182%0.815SS**PPolyproline II helixtrans-83.5135-173.731.7-30.8000111.3
515S34.9Very low45.9Very low126 Ų126139.3 Ų139.388%0.88182%0.821SS**  trans-137.8156.2158-165.10000110.9
516A33.9Very low44.1Very low96 Ų96135.8 Ų135.879%0.79382%0.815SS**  trans-68.6135.1-143.400000117.1
517S36.6Very low42.3Very low112 Ų112134.2 Ų134.278%0.78382%0.819SS**  trans-13.8123.1158.6174.80000118.8
518A31.9Very low40.9Very low102 Ų102139.8 Ų139.884%0.84382%0.823SS**  trans-135134.8135.100000109.9
519R34Very low40Very low231 Ų231141.1 Ų141.187%0.87283%0.832SS**  trans-62.4141.4-168.8-66.6168.3170.1176-4.4113.7
520T31Very low39.5Very low143 Ų143142.6 Ų142.688%0.87783%0.83SS**  176.2143.8108.732.70000111.2
521S32.1Very low38.9Very low115 Ų115141.5 Ų141.580%0.80483%0.833SS**  trans-106-173.3179.4-47.50000109.7
522P52.2Low38.8Very low112 Ų112146.8 Ų146.873%0.72784%0.836SS**  -131.6161.4-53.933.1-16.7000112.2
523T31.7Very low38.9Very low150 Ų150148.7 Ų148.792%0.9284%0.837SS**  trans-153.5124.2150.35.40000112.4
524K42Very low38.9Very low204 Ų204145.5 Ų145.589%0.88783%0.833SS**  trans-77.8136.4175.5-72.9175.8172.2178.20110.6
525Q39.6Very low38.3Very low185 Ų185149.2 Ų149.286%0.86484%0.836SS**  trans-144.9152.1149.3-84.4-159.3-9.400110.8
526P40.3Very low38.6Very low124 Ų124148.4 Ų148.481%0.80583%0.83SS**PPolyproline II helixtrans-85.1139.1-157.333.2-32.5000112.8
527V40Very low38.8Very low143 Ų143152.1 Ų152.187%0.86784%0.836SS**PPolyproline II helixtrans-76123.2175.2-179.90000109.4
528R40.7Very low38.8Very low230 Ų230151 Ų15187%0.86883%0.833SS**PPolyproline II helixtrans-83.7118.5172.2-151.9177.4-171.7-177.32108.4L530R528-L530 PolarHBondContact O-N 3.38Å
529N42.3Very low39.2Very low143 Ų143149.5 Ų149.577%0.76583%0.828SS**PPolyproline II helixtrans-76.6116.7-174.9-154.9-20.8000110.2
530L44Very low39.5Very low150 Ų150144.3 Ų144.379%0.78582%0.824SS**  trans-10626.9-169.5-129.7124.1000113.5R528R528-L530 PolarHBondContact O-N 3.38Å
531H40Very low39.7Very low175 Ų175143.7 Ų143.781%0.8182%0.822SS**  trans-115.243.7176.9-74-67000113.5
532Q44.6Very low40Very low193 Ų193144.5 Ų144.590%0.90282%0.823SS**  trans-132.677.2159.5-75.8-169.1-9.400109.7
533S41.5Very low39.3Very low115 Ų115145.3 Ų145.380%0.80483%0.828SS**  trans-115.883159.561.70000108.3
534G38.4Very low39.6Very low76 Ų76147 Ų14778%0.78483%0.825SS**  trans-72.6121.816500000109.5S536G534-S536 PolarHBondContact O-N 3.15Å
535F33.8Very low39.2Very low209 Ų209145 Ų14592%0.91782%0.824SS**  trans-70.3117.5166.3-124.5-94.8000107.7
536S39.4Very low39Very low108 Ų108140.8 Ų140.876%0.75582%0.821SS**  trans-125.6116.2175.8-161.40000109.2G534 A538G534-S536 PolarHBondContact O-N 3.15Å; S536-A538 PolarHBondContact O-N 3.31Å
537L38.8Very low39Very low174 Ų174141 Ų14191%0.91182%0.823SS**  trans-86.986173.8-81.6164000109
538A36.2Very low39.3Very low88 Ų88142 Ų14273%0.72782%0.821SS**  trans-155.7108.1163.600000109.7S536S536-A538 PolarHBondContact O-N 3.31Å
539G41.8Very low39.1Very low71 Ų71142.4 Ų142.473%0.73282%0.823SS**PPolyproline II helixtrans-82.1153.9166.500000111
540P38.8Very low39Very low123 Ų123141.1 Ų141.180%0.79982%0.823SS**PPolyproline II helixtrans-76.1155.9-174.830.8-33.5000112.9
541P35.7Very low38.9Very low129 Ų129140.3 Ų140.384%0.83883%0.826SS**PPolyproline II helixtrans-80.4139.1-178.232.8-32.3000111.6
542T38.2Very low38.7Very low133 Ų133135.3 Ų135.382%0.81682%0.822SS**  trans-106.5150.6166.343.60000110.9
543P38.2Very low38.2Very low128 Ų128138.4 Ų138.483%0.83183%0.825SS**  trans-79.7154.1-163.5-4.623.4000113.8
544E36.6Very low38Very low185 Ų185144.4 Ų144.486%0.86483%0.83SS**  trans-65.9137.3176.3-65.8-179138.500113.2
545D34.1Very low37.8Very low162 Ų162148.6 Ų148.687%0.86683%0.833SS**  trans-171.395138.2-99.7-24.4000111.7
546A35.3Very low37.8Very low97 Ų97144.3 Ų144.380%0.80282%0.824SS**  trans50.516215000000123.4
547P41.5Very low37.8Very low128 Ų128145 Ų14583%0.83182%0.823SS**  cis-126.3165.4-2033.4-14.4000115.2
548I44.8Very low38Very low164 Ų164142 Ų14284%0.84182%0.815SS**  trans-71.4137.1-179.8-63.8162.6000113.4
549R36.1Very low38.2Very low239 Ų239144.2 Ų144.290%0.90282%0.821SS**  trans-149.7157.6158.5-85.1-159.1-174.6179.72.5112.5
550P41.8Very low37.7Very low117 Ų117144.7 Ų144.776%0.7683%0.827SS**  trans-102.9-179.9-130.142.8-39.7000115.5
551P40.7Very low37.3Very low133 Ų133142.6 Ų142.686%0.86483%0.827SS**  trans-88.7144.8-16135.2-30.5000113.3
552G37.5Very low37.4Very low70 Ų70148.8 Ų148.872%0.72283%0.834SS**  trans149.5106.2159.800000115.1
553R32.6Very low37.3Very low257 Ų257147.4 Ų147.497%0.9783%0.83SS**  trans175.2123.4131.1-98.6171.7-179.4-162.30.1111
554R37.9Very low37.1Very low241 Ų241149.2 Ų149.291%0.90983%0.832SS**  trans-74.1167.4160.3-93.1179.5168.6173-3.1110.1
555I33.9Very low37.2Very low164 Ų164147.8 Ų147.884%0.84183%0.829SS**  trans108.9134.4162.8-64.8169.9000112
556V34.8Very low37.6Very low119 Ų119146.5 Ų146.572%0.72183%0.827SS**  cis-170.4146.12.1130.10000109
557V38.8Very low37.7Very low123 Ų123146.8 Ų146.875%0.74582%0.824SS**  trans47.1130149.3-179.60000121.1
558P42.5Very low37.6Very low112 Ų112148.4 Ų148.473%0.72782%0.824SS**  trans-82.3151.1168.433.4-31.9000113.1
559P40.1Very low37.3Very low133 Ų133149.6 Ų149.686%0.86485%0.847SS**  trans-80.5127.7-171.431-32.8000113.4
560G32.1Very low37.4Very low82 Ų82145.1 Ų145.185%0.84584%0.844SS**  66.8105122.800000119.7
561G31Very low37.2Very low79 Ų79146.6 Ų146.681%0.81485%0.849SS**  trans-157.591.1152.400000110.2
562R37Very low37Very low258 Ų258147.3 Ų147.397%0.97485%0.848SS**  trans-80.3143.8179.8-88.1-178172.8174.3-2.5111.9
563S36.8Very low37Very low105 Ų105151.9 Ų151.973%0.73486%0.855SS**  trans-62.7157.1173.8-38.30000114
564N34.2Very low37.2Very low165 Ų165145.3 Ų145.388%0.88285%0.848SS**  trans-134.4112.1152.1-90.8-19.8000110
565I37Very low37.2Very low155 Ų155138.9 Ų138.980%0.79584%0.844SS**  trans-93.2129.6160-75.4169.9000106
566T42.3Very low37.4Very low135 Ų135137.1 Ų137.183%0.82884%0.844SS**  trans-123.6106.9163.331.40000108.5
567S37.5Very low37.6Very low104 Ų104138.5 Ų138.573%0.72785%0.854SS**  trans-83.3136.6155.248.90000109
568L40Very low37.5Very low161 Ų161139.8 Ų139.884%0.84386%0.863SS**  trans-152125.1157-101.6167.2000110.1
569S39.6Very low37.1Very low189 Ų189142.4 Ų142.4100%1.32288%0.875SS**  trans60.30155.242.60000119.9

Retrieved 569 of 569 residues in 171.9 ms (Link to these results)

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