ENO_SCHMA Loading...

Enolase

AlphaFold DB , UniProt , Accession Q27877, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene ENO, Length 434 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M80.4Confident95.7Very high54 Ų5446.5 Ų46.527%0.26624%0.239SC..  0148.10-170.3167.2-73.700112.3T26 S27 K28 P83 V84 E125M1-T26 VanDerWaalsContact SD-CB 3.59Å; M1-T26 PolarHBondContact SD-OG1 3.29Å; M1-T26 VanDerWaalsContact SD-OG1 3.33Å; M1-S27 WeakPolarHBondContact CE-OG 3.48Å; M1-S27 PolarHBondContact SD-OG 3.5Å; M1-K28 HydrophobicContact CE-CD 4.29Å; M1-K28 HydrophobicContact CE-CG 3.79Å; M1-K28 HydrophobicContact SD-CB 4.3Å; M1-K28 HydrophobicContact SD-CG 3.68Å; M1-P83 WeakPolarHBondContact O-CA 3.29Å; M1-V84 PolarHBondContact O-N 2.74Å; M1-E125 VanDerWaalsContact CB-CD 3.41Å; M1-E125 HydrophobicContact CB-CG 4.22Å; M1-E125 WeakPolarHBondContact CB-OE1 3.26Å; M1-E125 WeakPolarHBondContact CB-OE2 3.46Å; M1-E125 WeakPolarHBondContact CE-OE2 3.37Å; M1-E125 PolarHBondContact N-OE1 2.95Å
2S86.2Confident95.9Very high46 Ų4651.8 Ų51.832%0.32226%0.259SS..  trans-85.4156176.5560000112.7N81S2-N81 WeakPolarHBondContact CB-OD1 3.29Å
3I97.2Very high96.1Very high7 Ų748.5 Ų48.54%0.03624%0.242CC..  trans-79.4126.5172.4-60.1171.2000108.2I6 L24 L77 I78 V84 I90I3-I6 HydrophobicContact CD1-CD1 4.3Å; I3-I6 HydrophobicContact CG2-CD1 3.89Å; I3-I6 HydrophobicContact CG2-CG1 3.64Å; I3-L24 HydrophobicContact CD1-CD1 4.02Å; I3-L24 HydrophobicContact CG1-CD1 4.19Å; I3-L24 HydrophobicContact CG1-CD2 4.38Å; I3-L24 HydrophobicContact CG2-CD1 4.3Å; I3-L24 HydrophobicContact CG2-CD2 4.36Å; I3-L24 HydrophobicContact CG2-CG 4.05Å; I3-L77 HydrophobicContact CD1-CB 4.37Å; I3-I78 HydrophobicContact CB-CG1 4.46Å; I3-I78 HydrophobicContact CG2-CG1 3.97Å; I3-V84 HydrophobicContact CD1-CG1 4.16Å; I3-V84 HydrophobicContact CG1-CG1 3.51Å; I3-I90 HydrophobicContact CD1-CD1 4.47Å
4L97.4Very high96.3Very high87 Ų8747 Ų4746%0.45524%0.239SC..  trans-89.4-46.9177.9-60.7179.1000111.6K25L4-K25 WeakPolarHBondContact CB-O 3.35Å; L4-K25 PolarHBondContact N-O 2.93Å
5T98.1Very high96.3Very high74 Ų7448 Ų4845%0.45424%0.239SC..EExtended strand (participates in β ladder)trans-147.6147.3178.563.30000110.2L24 K25T5-L24 WeakPolarHBondContact O-CA 3.33Å; T5-K25 PolarHBondContact N-O 3.26Å; T5-K25 PolarHBondContact O-N 3.37Å; T5-K25 VanDerWaalsContact OG1-CB 3.23Å; T5-K25 WeakPolarHBondContact OG1-CB 3.47Å
6I98.7Very high96.4Very high12 Ų1247.9 Ų47.96%0.06225%0.254CS..EExtended strand (participates in β ladder)trans-124.3133164.7-65.2167.7000106.7I3 V22 D23 L24 V69 A74 L77 V114I3-I6 HydrophobicContact CD1-CD1 4.3Å; I3-I6 HydrophobicContact CG2-CD1 3.89Å; I3-I6 HydrophobicContact CG2-CG1 3.64Å; I6-V22 HydrophobicContact CG2-CG1 3.79Å; I6-D23 CarbonylContact C-O 3.58Å; I6-D23 WeakPolarHBondContact CA-O 3.44Å; I6-L24 HydrophobicContact CD1-CD1 4.26Å; I6-L24 HydrophobicContact CG1-CB 4.45Å; I6-L24 HydrophobicContact CG1-CD1 4.08Å; I6-L24 HydrophobicContact CG1-CG 4.03Å; I6-V69 HydrophobicContact CG2-CG1 3.72Å; I6-A74 HydrophobicContact CB-CB 3.7Å; I6-A74 HydrophobicContact CG2-CB 4.1Å; I6-L77 HydrophobicContact CD1-CB 4.17Å; I6-L77 HydrophobicContact CD1-CD1 3.83Å; I6-V114 HydrophobicContact CD1-CG1 4.07Å; I6-V114 HydrophobicContact CG2-CG2 4.19Å
7H98.9Very high96.5Very high92 Ų9246.5 Ų46.543%0.42625%0.246SC..EExtended strand (participates in β ladder)trans-138.8125176.3179.367.8000110.4D23 N70H7-D23 PolarHBondContact N-O 3.07Å; H7-D23 PolarHBondContact O-N 3.44Å; H7-N70 VanDerWaalsContact CA-OD1 3.32Å; H7-N70 WeakPolarHBondContact CA-OD1 3.37Å; H7-N70 PolarHBondContact ND1-OD1 3.23Å
8A98.9Very high96.6Very high1 Ų144 Ų441%0.00823%0.233CC..EExtended strand (participates in β ladder)trans-101150.5172.300000112.1V20 E21 V22 V66 V69 N70A8-V20 HydrophobicContact CB-CG1 4.38Å; A8-E21 CarbonylContact C-O 3.59Å; A8-E21 WeakPolarHBondContact CA-O 3.01Å; A8-V22 HydrophobicContact CB-CG2 4.14Å; A8-V66 HydrophobicContact CB-CB 4.44Å; A8-V66 HydrophobicContact CB-CG1 4.09Å; A8-V66 HydrophobicContact CB-CG2 4.48Å; A8-V66 WeakPolarHBondContact O-CG1 3.46Å; A8-V69 HydrophobicContact CB-CB 3.53Å; A8-V69 HydrophobicContact CB-CG1 3.61Å; A8-V69 HydrophobicContact CB-CG2 3.99Å; A8-N70 PolarHBondContact N-OD1 3.45Å; A8-N70 PolarHBondContact O-ND2 3.22Å
9R98.9Very high96.7Very high72 Ų7241.7 Ų41.727%0.27222%0.221SC..EExtended strand (participates in β ladder)trans-139.7164.4171.766.7-179.266.780.10.2111.2I11 E21 D23R9-I11 HydrophobicContact CG-CG2 4.07Å; R9-E21 VanDerWaalsContact CD-OE1 3.3Å; R9-E21 WeakPolarHBondContact CD-OE1 3.48Å; R9-E21 HydrophobicContact CG-CB 4.01Å; R9-E21 IonicContact CZ-OE1 3.6Å; R9-E21 PolarHBondContact N-O 3.44Å; R9-E21 IonicContact NE-OE1 3.61Å; R9-E21 IonicContact NH1-OE1 3.85Å; R9-E21 PolarHBondContact NH1-OE1 2.89Å; R9-E21 PolarHBondContact O-N 3.08Å; R9-D23 IonicContact CZ-OD2 3.31Å; R9-D23 VanDerWaalsContact CZ-OD2 3.31Å; R9-D23 IonicContact NH1-OD1 2.67Å; R9-D23 PolarHBondContact NH1-OD1 2.58Å; R9-D23 VanDerWaalsContact NH1-OD1 3.09Å; R9-D23 IonicContact NH1-OD2 3.76Å; R9-D23 PolarHBondContact NH1-OD2 3.01Å; R9-D23 IonicContact NH2-OD2 2.73Å; R9-D23 PolarHBondContact NH2-OD2 3.44Å
10Q98.7Very high96.8Very high40 Ų4039.6 Ų39.619%0.18721%0.21CC..EExtended strand (participates in β ladder)trans-89.6125.6170-179.4174.3-75.700109.3P18 T19 Y57 V62 L63 V66Q10-P18 HydrophobicContact CG-CB 3.74Å; Q10-T19 WeakPolarHBondContact CA-O 3.49Å; Q10-Y57 VanDerWaalsContact NE2-CE2 3.3Å; Q10-V62 HydrophobicContact CB-CG2 4.06Å; Q10-V62 HydrophobicContact CG-CG2 3.68Å; Q10-V62 VanDerWaalsContact OE1-N 3.1Å; Q10-L63 HydrophobicContact CB-CD2 4.17Å; Q10-V66 HydrophobicContact CB-CG2 4.45Å
11I98.8Very high96.9Very high27 Ų2738.5 Ų38.514%0.13820%0.204CC..EExtended strand (participates in β ladder)trans-118.7-170168.666.8164.7000109.4R9 P18 T19 E21 A34 T377R9-I11 HydrophobicContact CG-CG2 4.07Å; I11-P18 CarbonylContact O-C 3.56Å; I11-P18 VanDerWaalsContact O-CA 3.25Å; I11-P18 WeakPolarHBondContact O-CA 3.41Å; I11-T19 HydrophobicContact CD1-CG2 4.21Å; I11-T19 HydrophobicContact CG1-CG2 3.7Å; I11-T19 PolarHBondContact N-O 3.29Å; I11-T19 PolarHBondContact O-N 2.95Å; I11-E21 HydrophobicContact CD1-CB 3.99Å; I11-E21 HydrophobicContact CG1-CB 4.05Å; I11-E21 HydrophobicContact CG2-CB 3.82Å; I11-A34 HydrophobicContact CD1-CB 3.77Å; I11-T377 HydrophobicContact CD1-CG2 4.46Å
12F98.7Very high97.8Very high110 Ų11036 Ų3648%0.48219%0.191SC..EExtended strand (participates in β ladder)trans-117.3137.5176.8-66.4-89.3000111.5G16 N17 P18 Y57F12-G16 WeakPolarHBondContact CD1-O 3.5Å; F12-N17 CarbonylContact C-O 3.54Å; F12-N17 WeakPolarHBondContact CA-O 3.29Å; F12-P18 HydrophobicContact CE1-CG 4.49Å; F12-Y57 HydrophobicContact CE1-CD1 4.08Å; F12-Y57 AromaticContact CE1-CE1 3.87Å; F12-Y57 HydrophobicContact CE1-CE1 3.87Å; F12-Y57 HydrophobicContact CZ-CD1 4.43Å; F12-Y57 AromaticContact CZ-CE1 3.76Å; F12-Y57 HydrophobicContact CZ-CE1 3.76Å
13D98.6Very high98.4Very high8 Ų834.4 Ų34.44%0.04318%0.179CC..  trans-76.7177170.378.23.8000111.5R15 G16 N17 T19 E376D13-R15 PolarHBondContact O-N 3.04Å; D13-R15 VanDerWaalsContact O-N 3.09Å; D13-R15 WeakPolarHBondContact OD1-CA 3.5Å; D13-R15 WeakPolarHBondContact OD1-CB 3.49Å; D13-R15 PolarHBondContact OD1-N 2.61Å; D13-R15 IonicContact OD2-NE 3.91Å; D13-R15 IonicContact OD2-NH2 3.74Å; D13-G16 PolarHBondContact O-N 3.41Å; D13-G16 PolarHBondContact OD1-N 3.26Å; D13-G16 VanDerWaalsContact OD1-N 3.08Å; D13-N17 PolarHBondContact N-O 3.4Å; D13-N17 PolarHBondContact OD1-N 2.89Å; D13-T19 HydrophobicContact CB-CG2 4.34Å; D13-E376 CarbonylContact C-O 3.55Å; D13-E376 WeakPolarHBondContact CA-O 3.29Å
14S98.2Very high98.5Very high28 Ų2834 Ų3420%0.19618%0.177CC..THydrogen-bonded Turntrans-69.1-6.9-176.967.20000114.2E376 R401 D403S14-E376 WeakPolarHBondContact CB-O 3.34Å; S14-E376 PolarHBondContact N-O 2.87Å; S14-E376 PolarHBondContact OG-N 2.83Å; S14-E376 VanDerWaalsContact OG-N 3.11Å; S14-E376 PolarHBondContact OG-O 3.44Å; S14-R401 PolarHBondContact O-NH2 3.24Å; S14-D403 WeakPolarHBondContact CB-OD2 3.42Å; S14-D403 PolarHBondContact OG-OD2 2.97Å
15R96.9Very high98.5Very high62 Ų6234.9 Ų34.923%0.23418%0.177CC..THydrogen-bonded Turntrans-102.43.8171.9-63176.6-61.2174-3.6112.2D13 N17 S37 G38 D209D13-R15 PolarHBondContact O-N 3.04Å; D13-R15 VanDerWaalsContact O-N 3.09Å; D13-R15 WeakPolarHBondContact OD1-CA 3.5Å; D13-R15 WeakPolarHBondContact OD1-CB 3.49Å; D13-R15 PolarHBondContact OD1-N 2.61Å; D13-R15 IonicContact OD2-NE 3.91Å; D13-R15 IonicContact OD2-NH2 3.74Å; R15-N17 VanDerWaalsContact C-N 3.32Å; R15-N17 WeakPolarHBondContact CB-ND2 3.29Å; R15-S37 PolarHBondContact NH2-O 3.13Å; R15-G38 PolarHBondContact NH1-O 2.89Å; R15-G38 PolarHBondContact NH2-O 3.12Å; R15-D209 WeakPolarHBondContact CD-OD2 3.41Å
16G97.9Very high98.6Very high47 Ų4731.5 Ų31.549%0.48516%0.157SC..SBendtrans75.218-178.200000113.9F12 D13F12-G16 WeakPolarHBondContact CD1-O 3.5Å; D13-G16 PolarHBondContact O-N 3.41Å; D13-G16 PolarHBondContact OD1-N 3.26Å; D13-G16 VanDerWaalsContact OD1-N 3.08Å
17N98.1Very high98.5Very high23 Ų2335.2 Ų35.212%0.12318%0.184CC..  trans-91.5149.2172-55.7-68.9000110.1F12 D13 R15 K60F12-N17 CarbonylContact C-O 3.54Å; F12-N17 WeakPolarHBondContact CA-O 3.29Å; D13-N17 PolarHBondContact N-O 3.4Å; D13-N17 PolarHBondContact OD1-N 2.89Å; R15-N17 VanDerWaalsContact C-N 3.32Å; R15-N17 WeakPolarHBondContact CB-ND2 3.29Å; N17-K60 HydrophobicContact CB-CD 4.25Å; N17-K60 WeakPolarHBondContact OD1-CD 3.32Å; N17-K60 PolarHBondContact OD1-NZ 3.23Å
18P98.5Very high98.4Very high2 Ų236.7 Ų36.71%0.01319%0.189CC..EExtended strand (participates in β ladder)trans-55.9147.3172.5-2937.4000113.7Q10 I11 F12 R50 Y57 K60 V62Q10-P18 HydrophobicContact CG-CB 3.74Å; I11-P18 CarbonylContact O-C 3.56Å; I11-P18 VanDerWaalsContact O-CA 3.25Å; I11-P18 WeakPolarHBondContact O-CA 3.41Å; F12-P18 HydrophobicContact CE1-CG 4.49Å; P18-R50 PolarHBondContact O-NH1 2.94Å; P18-R50 PolarHBondContact O-NH2 3.07Å; P18-Y57 HydrophobicContact CG-CD1 3.77Å; P18-Y57 HydrophobicContact CG-CD2 3.98Å; P18-Y57 HydrophobicContact CG-CE1 4.45Å; P18-Y57 HydrophobicContact CG-CG 3.5Å; P18-Y57 VanDerWaalsContact CG-CG 3.5Å; P18-K60 WeakPolarHBondContact CB-O 3.4Å; P18-K60 WeakPolarHBondContact CG-O 3.37Å; P18-V62 HydrophobicContact CB-CG1 4.49Å; P18-V62 HydrophobicContact CB-CG2 4.12Å
19T98.8Very high98.4Very high0 Ų038 Ų380%020%0.203CC..EExtended strand (participates in β ladder)trans-149.2170.6165.6-166.80000111.6Q10 I11 D13 V35 T377Q10-T19 WeakPolarHBondContact CA-O 3.49Å; I11-T19 HydrophobicContact CD1-CG2 4.21Å; I11-T19 HydrophobicContact CG1-CG2 3.7Å; I11-T19 PolarHBondContact N-O 3.29Å; I11-T19 PolarHBondContact O-N 2.95Å; D13-T19 HydrophobicContact CB-CG2 4.34Å; T19-V35 WeakPolarHBondContact CB-O 3.35Å; T19-V35 WeakPolarHBondContact CG2-O 3.43Å; T19-V35 PolarHBondContact OG1-O 2.74Å; T19-T377 HydrophobicContact CG2-CG2 3.9Å
20V98.8Very high98.3Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-89129.8-176.6-1780000110.4A8 V22 A34 V35 V62 A65 V66 N109A8-V20 HydrophobicContact CB-CG1 4.38Å; V20-V22 HydrophobicContact CG1-CG2 4.08Å; V20-A34 WeakPolarHBondContact O-CA 3.5Å; V20-V35 HydrophobicContact CB-CG2 4.49Å; V20-V35 PolarHBondContact O-N 3.42Å; V20-V62 HydrophobicContact CG2-CB 4Å; V20-V62 HydrophobicContact CG2-CG2 4.06Å; V20-A65 HydrophobicContact CG2-CB 3.91Å; V20-V66 HydrophobicContact CG1-CG2 4.49Å; V20-V66 HydrophobicContact CG2-CG2 4.31Å; V20-N109 HydrophobicContact CG2-CB 4.22Å
21E98.9Very high98.4Very high17 Ų1738.3 Ų38.38%0.07921%0.209CC..EExtended strand (participates in β ladder)trans-117.7139.9164.9-178.2-176.783.400109.5A8 R9 I11 R32 A33 A34A8-E21 CarbonylContact C-O 3.59Å; A8-E21 WeakPolarHBondContact CA-O 3.01Å; R9-E21 VanDerWaalsContact CD-OE1 3.3Å; R9-E21 WeakPolarHBondContact CD-OE1 3.48Å; R9-E21 HydrophobicContact CG-CB 4.01Å; R9-E21 IonicContact CZ-OE1 3.6Å; R9-E21 PolarHBondContact N-O 3.44Å; R9-E21 IonicContact NE-OE1 3.61Å; R9-E21 IonicContact NH1-OE1 3.85Å; R9-E21 PolarHBondContact NH1-OE1 2.89Å; R9-E21 PolarHBondContact O-N 3.08Å; I11-E21 HydrophobicContact CD1-CB 3.99Å; I11-E21 HydrophobicContact CG1-CB 4.05Å; I11-E21 HydrophobicContact CG2-CB 3.82Å; E21-R32 VanDerWaalsContact CD-CD 3.46Å; E21-R32 HydrophobicContact CG-CG 3.76Å; E21-R32 IonicContact OE1-NE 2.97Å; E21-R32 VanDerWaalsContact OE2-CD 3.3Å; E21-R32 WeakPolarHBondContact OE2-CD 3.49Å; E21-R32 IonicContact OE2-NE 3.25Å; E21-A33 CarbonylContact C-O 3.57Å; E21-A33 WeakPolarHBondContact CA-O 3.32Å; E21-A34 HydrophobicContact CB-CB 4.39Å; E21-A34 HydrophobicContact CG-CB 4.43Å
22V98.9Very high98.4Very high0 Ų042.4 Ų42.40%022%0.223CC..EExtended strand (participates in β ladder)trans-123127.3179.5178.60000110.4I6 A8 V20 R32 A33 V69 V114 A117I6-V22 HydrophobicContact CG2-CG1 3.79Å; A8-V22 HydrophobicContact CB-CG2 4.14Å; V20-V22 HydrophobicContact CG1-CG2 4.08Å; V22-R32 CarbonylContact O-C 3.48Å; V22-R32 VanDerWaalsContact O-CA 3.27Å; V22-R32 WeakPolarHBondContact O-CA 3.44Å; V22-A33 PolarHBondContact N-O 3.27Å; V22-A33 PolarHBondContact O-N 3Å; V22-V69 HydrophobicContact CG2-CG1 4.34Å; V22-V69 HydrophobicContact CG2-CG2 4.49Å; V22-V114 HydrophobicContact CG1-CG2 4.05Å; V22-V114 HydrophobicContact CG2-CG2 4.19Å; V22-A117 HydrophobicContact CG1-CB 4.19Å
23D98.9Very high98.4Very high13 Ų1337.1 Ų37.17%0.0720%0.2CC..EExtended strand (participates in β ladder)trans-98.4123.2163.8-72.7-5.3000109.7I6 H7 R9 L30 R32I6-D23 CarbonylContact C-O 3.58Å; I6-D23 WeakPolarHBondContact CA-O 3.44Å; H7-D23 PolarHBondContact N-O 3.07Å; H7-D23 PolarHBondContact O-N 3.44Å; R9-D23 IonicContact CZ-OD2 3.31Å; R9-D23 VanDerWaalsContact CZ-OD2 3.31Å; R9-D23 IonicContact NH1-OD1 2.67Å; R9-D23 PolarHBondContact NH1-OD1 2.58Å; R9-D23 VanDerWaalsContact NH1-OD1 3.09Å; R9-D23 IonicContact NH1-OD2 3.76Å; R9-D23 PolarHBondContact NH1-OD2 3.01Å; R9-D23 IonicContact NH2-OD2 2.73Å; R9-D23 PolarHBondContact NH2-OD2 3.44Å; D23-L30 HydrophobicContact CB-CD1 4.15Å; D23-L30 HydrophobicContact CB-CD2 4.31Å; D23-L30 HydrophobicContact CB-CG 4.17Å; D23-R32 WeakPolarHBondContact OD1-CG 3.35Å; D23-R32 IonicContact OD1-CZ 2.7Å; D23-R32 IonicContact OD1-NE 3.09Å; D23-R32 PolarHBondContact OD1-NE 2.85Å; D23-R32 IonicContact OD1-NH2 3.4Å; D23-R32 PolarHBondContact OD1-NH2 3.26Å; D23-R32 IonicContact OD2-CZ 3.9Å; D23-R32 IonicContact OD2-NE 3.6Å; D23-R32 IonicContact OD2-NH2 2.98Å; D23-R32 PolarHBondContact OD2-NH2 2.88Å
24L98.8Very high98.4Very high0 Ų037 Ų370%020%0.2CC..EExtended strand (participates in β ladder)trans-111.7127.9169.7-173.8155000109.1I3 T5 I6 T26 F31 V84 A117 V118 A121I3-L24 HydrophobicContact CD1-CD1 4.02Å; I3-L24 HydrophobicContact CG1-CD1 4.19Å; I3-L24 HydrophobicContact CG1-CD2 4.38Å; I3-L24 HydrophobicContact CG2-CD1 4.3Å; I3-L24 HydrophobicContact CG2-CD2 4.36Å; I3-L24 HydrophobicContact CG2-CG 4.05Å; T5-L24 WeakPolarHBondContact O-CA 3.33Å; I6-L24 HydrophobicContact CD1-CD1 4.26Å; I6-L24 HydrophobicContact CG1-CB 4.45Å; I6-L24 HydrophobicContact CG1-CD1 4.08Å; I6-L24 HydrophobicContact CG1-CG 4.03Å; L24-T26 HydrophobicContact CD2-CG2 3.53Å; L24-F31 HydrophobicContact CD2-CD2 4.35Å; L24-F31 PolarHBondContact N-O 3.49Å; L24-F31 PolarHBondContact O-N 2.73Å; L24-V84 HydrophobicContact CD2-CG1 4.43Å; L24-A117 HydrophobicContact CB-CB 3.87Å; L24-V118 HydrophobicContact CD1-CB 4.34Å; L24-V118 HydrophobicContact CD1-CG2 3.41Å; L24-V118 VanDerWaalsContact CD1-CG2 3.41Å; L24-A121 HydrophobicContact CD2-CB 3.76Å
25K98.6Very high98.4Very high104 Ų10435.7 Ų35.745%0.45219%0.191SC..EExtended strand (participates in β ladder)trans-108.7133.6177.9-165.7175.9178.3177.10111.1L4 T5 G29L4-K25 WeakPolarHBondContact CB-O 3.35Å; L4-K25 PolarHBondContact N-O 2.93Å; T5-K25 PolarHBondContact N-O 3.26Å; T5-K25 PolarHBondContact O-N 3.37Å; T5-K25 VanDerWaalsContact OG1-CB 3.23Å; T5-K25 WeakPolarHBondContact OG1-CB 3.47Å; K25-G29 WeakPolarHBondContact CA-O 3.34Å; K25-G29 WeakPolarHBondContact CG-O 3.4Å
26T98.2Very high98.5Very high3 Ų333.3 Ų33.32%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-124.8-176.7165.978.10000109M1 L24 K28 G29 F31 V84 A121M1-T26 VanDerWaalsContact SD-CB 3.59Å; M1-T26 PolarHBondContact SD-OG1 3.29Å; M1-T26 VanDerWaalsContact SD-OG1 3.33Å; L24-T26 HydrophobicContact CD2-CG2 3.53Å; T26-K28 PolarHBondContact O-N 2.7Å; T26-K28 PolarHBondContact OG1-N 3.39Å; T26-G29 PolarHBondContact N-O 3.23Å; T26-G29 PolarHBondContact O-N 3.05Å; T26-F31 HydrophobicContact CG2-CD2 4.4Å; T26-F31 HydrophobicContact CG2-CE2 4.16Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.26Å; T26-V84 HydrophobicContact CG2-CG1 4.15Å; T26-A121 HydrophobicContact CG2-CB 4.06Å
27S97Very high98.4Very high91 Ų9131.3 Ų31.364%0.63616%0.162SC*.THydrogen-bonded Turntrans-68.6-8.8170.245.40000114M1M1-S27 WeakPolarHBondContact CE-OG 3.48Å; M1-S27 PolarHBondContact SD-OG 3.5Å
28K97.6Very high97.7Very high122 Ų12230.6 Ų30.653%0.5316%0.16SC..THydrogen-bonded Turntrans-84.2-11.9171.4-68-68-174.4171.90113.8M1 T26 F31 A124M1-K28 HydrophobicContact CE-CD 4.29Å; M1-K28 HydrophobicContact CE-CG 3.79Å; M1-K28 HydrophobicContact SD-CB 4.3Å; M1-K28 HydrophobicContact SD-CG 3.68Å; T26-K28 PolarHBondContact O-N 2.7Å; T26-K28 PolarHBondContact OG1-N 3.39Å; K28-F31 HydrophobicContact CB-CE2 4.2Å; K28-F31 HydrophobicContact CB-CZ 3.77Å; K28-A124 HydrophobicContact CB-CB 4.5Å
29G98Very high96.8Very high29 Ų2932.3 Ų32.330%0.29917%0.174SC..EExtended strand (participates in β ladder)trans131.9-156.9-179.800000113.2K25 T26K25-G29 WeakPolarHBondContact CA-O 3.34Å; K25-G29 WeakPolarHBondContact CG-O 3.4Å; T26-G29 PolarHBondContact N-O 3.23Å; T26-G29 PolarHBondContact O-N 3.05Å
30L98.6Very high95.6Very high92 Ų9232.6 Ų32.648%0.48218%0.176SC..EExtended strand (participates in β ladder)trans-106.3131.4179.6-177.7153.7000109.5D23 R32D23-L30 HydrophobicContact CB-CD1 4.15Å; D23-L30 HydrophobicContact CB-CD2 4.31Å; D23-L30 HydrophobicContact CB-CG 4.17Å; L30-R32 HydrophobicContact CD2-CB 4.13Å
31F98.8Very high94.7Very high26 Ų2635.9 Ų35.911%0.11420%0.196CC..EExtended strand (participates in β ladder)trans-120.6122.5179.8-55.3-78.9000108.6L24 T26 K28 K120 A121 A124L24-F31 HydrophobicContact CD2-CD2 4.35Å; L24-F31 PolarHBondContact N-O 3.49Å; L24-F31 PolarHBondContact O-N 2.73Å; T26-F31 HydrophobicContact CG2-CD2 4.4Å; T26-F31 HydrophobicContact CG2-CE2 4.16Å; T26-F31 WeakPolarHBondContact OG1-CE2 3.26Å; K28-F31 HydrophobicContact CB-CE2 4.2Å; K28-F31 HydrophobicContact CB-CZ 3.77Å; F31-K120 HydrophobicContact CB-CB 4.05Å; F31-K120 HydrophobicContact CD1-CB 4.19Å; F31-K120 HydrophobicContact CG-CB 4.49Å; F31-A121 HydrophobicContact CB-CB 4.2Å; F31-A121 HydrophobicContact CD1-CB 4.3Å; F31-A121 HydrophobicContact CD2-CB 3.36Å; F31-A121 HydrophobicContact CE2-CB 3.78Å; F31-A121 HydrophobicContact CG-CB 3.66Å; F31-A121 HydrophobicContact CZ-CB 4.4Å; F31-A124 HydrophobicContact CD1-CB 4.43Å; F31-A124 HydrophobicContact CE1-CB 3.29Å; F31-A124 HydrophobicContact CZ-CB 3.46Å; F31-A124 VanDerWaalsContact CZ-CB 3.46Å
32R98.9Very high93.8Very high113 Ų11335.2 Ų35.243%0.42619%0.194SC..EExtended strand (participates in β ladder)trans-115.6136-171.8178.7173.7-71.11536.6110.9E21 V22 D23 L30 K120E21-R32 VanDerWaalsContact CD-CD 3.46Å; E21-R32 HydrophobicContact CG-CG 3.76Å; E21-R32 IonicContact OE1-NE 2.97Å; E21-R32 VanDerWaalsContact OE2-CD 3.3Å; E21-R32 WeakPolarHBondContact OE2-CD 3.49Å; E21-R32 IonicContact OE2-NE 3.25Å; V22-R32 CarbonylContact O-C 3.48Å; V22-R32 VanDerWaalsContact O-CA 3.27Å; V22-R32 WeakPolarHBondContact O-CA 3.44Å; D23-R32 WeakPolarHBondContact OD1-CG 3.35Å; D23-R32 IonicContact OD1-CZ 2.7Å; D23-R32 IonicContact OD1-NE 3.09Å; D23-R32 PolarHBondContact OD1-NE 2.85Å; D23-R32 IonicContact OD1-NH2 3.4Å; D23-R32 PolarHBondContact OD1-NH2 3.26Å; D23-R32 IonicContact OD2-CZ 3.9Å; D23-R32 IonicContact OD2-NE 3.6Å; D23-R32 IonicContact OD2-NH2 2.98Å; D23-R32 PolarHBondContact OD2-NH2 2.88Å; L30-R32 HydrophobicContact CD2-CB 4.13Å; R32-K120 WeakPolarHBondContact O-CD 3.36Å; R32-K120 WeakPolarHBondContact O-CE 3.23Å; R32-K120 PolarHBondContact O-NZ 3.05Å
33A98.9Very high93.5Very high0 Ų040.2 Ų40.20%023%0.225CC..EExtended strand (participates in β ladder)trans-137.1143.5168.800000112.2E21 V22 L116 A117 D379E21-A33 CarbonylContact C-O 3.57Å; E21-A33 WeakPolarHBondContact CA-O 3.32Å; V22-A33 PolarHBondContact N-O 3.27Å; V22-A33 PolarHBondContact O-N 3Å; A33-L116 HydrophobicContact CB-CB 3.51Å; A33-A117 HydrophobicContact CB-CB 4.14Å; A33-D379 WeakPolarHBondContact CA-OD2 3.45Å
34A98.8Very high93.3Very high5 Ų542.2 Ų42.24%0.04123%0.233CC..EExtended strand (participates in β ladder)trans-117.5151.2174.600000111.4I11 V20 E21 T377 D379I11-A34 HydrophobicContact CD1-CB 3.77Å; V20-A34 WeakPolarHBondContact O-CA 3.5Å; E21-A34 HydrophobicContact CB-CB 4.39Å; E21-A34 HydrophobicContact CG-CB 4.43Å; A34-T377 HydrophobicContact CB-CG2 3.88Å; A34-D379 HydrophobicContact CB-CB 4.3Å; A34-D379 PolarHBondContact N-OD2 2.8Å
35V98.7Very high93.1Very high1 Ų143.4 Ų43.41%0.00624%0.239CC..  trans-102.8129.3-174.2179.30000110.6T19 V20 N109 L112 N346T19-V35 WeakPolarHBondContact CB-O 3.35Å; T19-V35 WeakPolarHBondContact CG2-O 3.43Å; T19-V35 PolarHBondContact OG1-O 2.74Å; V20-V35 HydrophobicContact CB-CG2 4.49Å; V20-V35 PolarHBondContact O-N 3.42Å; V35-N109 HydrophobicContact CG1-CB 3.97Å; V35-N109 WeakPolarHBondContact CG2-O 3.31Å; V35-L112 HydrophobicContact CG1-CD2 4.01Å; V35-L112 HydrophobicContact CG2-CB 4.35Å; V35-L112 HydrophobicContact CG2-CD2 4.47Å; V35-L112 HydrophobicContact CG2-CG 4.42Å; V35-N346 HydrophobicContact CG1-CB 4.41Å
36P98.3Very high93Very high12 Ų1239 Ų398%0.07822%0.222CC..  trans-78.9167.8174.935.4-37.3000111.6N346 R373 G375P36-N346 HydrophobicContact CG-CB 4.31Å; P36-N346 PolarHBondContact O-ND2 3.39Å; P36-N346 VanDerWaalsContact O-ND2 3.09Å; P36-R373 HydrophobicContact CB-CB 4.01Å; P36-R373 HydrophobicContact CB-CG 3.8Å; P36-R373 HydrophobicContact CG-CG 3.92Å; P36-G375 CarbonylContact C-O 3.5Å; P36-G375 WeakPolarHBondContact CA-O 3.43Å; P36-G375 WeakPolarHBondContact CB-O 3.24Å
37S95.6Very high92.9Very high4 Ų442.3 Ų42.33%0.02824%0.239CC..BIsolated β-bridgetrans-137.7142.8178.9-179.20000111.6R15 E48 R50 R373 G375R15-S37 PolarHBondContact NH2-O 3.13Å; S37-E48 WeakPolarHBondContact CB-OE2 3.45Å; S37-E48 PolarHBondContact OG-OE1 3.15Å; S37-E48 PolarHBondContact OG-OE2 2.96Å; S37-R50 PolarHBondContact OG-NH2 2.81Å; S37-R373 WeakPolarHBondContact O-CB 3.47Å; S37-G375 PolarHBondContact N-O 2.92Å; S37-G375 CarbonylContact O-C 3.55Å; S37-G375 WeakPolarHBondContact O-CA 3.35Å; S37-G375 PolarHBondContact O-N 3.38Å
38G83.5Confident92.9Very high8 Ų840.2 Ų40.28%0.08222%0.219CC..  trans-83.6168.9179.900000115R15R15-G38 PolarHBondContact NH1-O 2.89Å; R15-G38 PolarHBondContact NH2-O 3.12Å
39A79.7Confident92.9Very high38 Ų3835.9 Ų35.931%0.31420%0.201SC..SBendtrans-106.8-62.7165.300000109.1S374A39-S374 VanDerWaalsContact CB-OG 3.24Å; A39-S374 WeakPolarHBondContact CB-OG 3.36Å; A39-S374 PolarHBondContact N-OG 2.97Å
40S73.3Confident92.9Very high6 Ų636.5 Ų36.54%0.04220%0.195CC..SBendtrans-82.2111.9166-41.80000106.8S157 Q166S40-S157 WeakPolarHBondContact OG-CB 3.33Å; S40-Q166 PolarHBondContact OG-OE1 3.41Å
41T80.4Confident92.8Very high69 Ų6933 Ų3342%0.42318%0.177SC..  trans-121.7117.7-176.555.80000108.3E45T41-E45 WeakPolarHBondContact CA-OE1 3.2Å
42G80.9Confident92.6Very high4 Ų435.9 Ų35.94%0.04120%0.197CC..  trans-53.5141.4171.100000111.3H44 E45 Q299 D320G42-H44 PolarHBondContact O-N 3.25Å; G42-H44 VanDerWaalsContact O-N 3.09Å; G42-E45 PolarHBondContact N-OE1 2.94Å; G42-E45 WeakPolarHBondContact O-CG 3.49Å; G42-E45 PolarHBondContact O-N 3.32Å; G42-Q299 VanDerWaalsContact CA-OE1 3.24Å; G42-D320 VanDerWaalsContact CA-OD1 3.31Å; G42-D320 WeakPolarHBondContact CA-OD1 3.37Å; G42-D320 PolarHBondContact N-OD1 2.91Å
43V91.6Very high92.3Very high104 Ų10438.5 Ų38.563%0.6322%0.219SC*.THydrogen-bonded Turntrans-68.8-12.5-175.2-58.90000112.8
44H94.3Very high91.9Very high55 Ų5540.8 Ų40.826%0.25524%0.235SC..THydrogen-bonded Turntrans-98.91.7-178.6-56.6-73.5000113.2G42 D300 V323 R328G42-H44 PolarHBondContact O-N 3.25Å; G42-H44 VanDerWaalsContact O-N 3.09Å; H44-D300 IonicContact CE1-OD1 3.04Å; H44-D300 IonicContact CE1-OD2 3.67Å; H44-D300 IonicContact NE2-OD1 3.41Å; H44-D300 PolarHBondContact NE2-OD1 3.02Å; H44-D300 IonicContact NE2-OD2 2.82Å; H44-D300 PolarHBondContact NE2-OD2 3.23Å; H44-V323 HydrophobicContact CB-CG1 4.33Å; H44-V323 HydrophobicContact CB-CG2 3.73Å; H44-V323 WeakPolarHBondContact O-CG2 3.46Å; H44-R328 VanDerWaalsContact CD2-CZ 3.43Å; H44-R328 PolarHBondContact CD2-NH1 3.19Å; H44-R328 VanDerWaalsContact CD2-NH1 3.32Å; H44-R328 PolarHBondContact CE1-NH1 2.9Å; H44-R328 VanDerWaalsContact CE1-NH1 3.26Å; H44-R328 PolarHBondContact ND1-NH1 3.19Å; H44-R328 PolarHBondContact NE2-NH1 3.5Å
45E95Very high91.7Very high26 Ų2649.9 Ų49.912%0.12127%0.274CS..SBendtrans-62.9150.6176.8-69.4-169.9-161.800112T41 G42 V323 Q347 R373T41-E45 WeakPolarHBondContact CA-OE1 3.2Å; G42-E45 PolarHBondContact N-OE1 2.94Å; G42-E45 WeakPolarHBondContact O-CG 3.49Å; G42-E45 PolarHBondContact O-N 3.32Å; E45-V323 HydrophobicContact CG-CB 4.08Å; E45-V323 HydrophobicContact CG-CG1 3.63Å; E45-Q347 VanDerWaalsContact CD-CG 3.48Å; E45-Q347 HydrophobicContact CG-CB 4.1Å; E45-Q347 HydrophobicContact CG-CG 3.76Å; E45-Q347 PolarHBondContact OE1-NE2 3.4Å; E45-R373 IonicContact OE1-CZ 3.55Å; E45-R373 IonicContact OE1-NH1 3.88Å; E45-R373 IonicContact OE1-NH2 3.41Å; E45-R373 PolarHBondContact OE1-NH2 2.61Å; E45-R373 IonicContact OE2-CZ 2.63Å; E45-R373 IonicContact OE2-NH1 3.62Å; E45-R373 PolarHBondContact OE2-NH1 2.88Å; E45-R373 IonicContact OE2-NH2 2.92Å; E45-R373 PolarHBondContact OE2-NH2 3.18Å
46A96Very high91.6Very high10 Ų1052 Ų528%0.08329%0.291CS..PPolyproline II helixtrans-59142.4166.300000110.5E48 K103 A108 Q347A46-E48 PolarHBondContact O-N 2.92Å; A46-K103 HydrophobicContact CB-CD 4.41Å; A46-A108 HydrophobicContact CB-CB 3.66Å; A46-Q347 WeakPolarHBondContact CB-O 3.48Å; A46-Q347 PolarHBondContact N-O 2.94Å
47L96.7Very high91.5Very high74 Ų7456.8 Ų56.839%0.38731%0.308SS..PPolyproline II helixtrans-71117.3-167.3-174.573.4000112.4L49 N102 E104 A108L47-L49 PolarHBondContact O-N 2.88Å; L47-N102 PolarHBondContact N-O 3.24Å; L47-E104 HydrophobicContact CB-CG 4.04Å; L47-E104 HydrophobicContact CD2-CB 3.88Å; L47-E104 HydrophobicContact CD2-CG 4.05Å; L47-A108 WeakPolarHBondContact O-CB 3.44Å; L47-A108 PolarHBondContact O-N 3.22Å
48E97.2Very high91.5Very high47 Ų4764 Ų6422%0.2234%0.343CS..  trans-74107.7163.7-175.4179.6173.800110.2S37 A46 R50 N109S37-E48 WeakPolarHBondContact CB-OE2 3.45Å; S37-E48 PolarHBondContact OG-OE1 3.15Å; S37-E48 PolarHBondContact OG-OE2 2.96Å; A46-E48 PolarHBondContact O-N 2.92Å; E48-R50 PolarHBondContact O-N 2.75Å; E48-R50 IonicContact OE1-CZ 3.99Å; E48-R50 IonicContact OE1-NE 3.85Å; E48-R50 PolarHBondContact OE1-NE 3.48Å; E48-R50 IonicContact OE1-NH1 3.87Å; E48-R50 IonicContact OE1-NH2 3.17Å; E48-R50 PolarHBondContact OE1-NH2 3.5Å; E48-R50 IonicContact OE2-NH2 3.77Å; E48-N109 HydrophobicContact CG-CB 4.27Å
49L97.4Very high92.1Very high30 Ų3069.6 Ų69.616%0.15737%0.366CS..  trans-76.7113.8-175.6-175.462.6000111.4L47 T64 A65 N68 N109L47-L49 PolarHBondContact O-N 2.88Å; L49-T64 HydrophobicContact CD2-CG2 3.79Å; L49-T64 HydrophobicContact CG-CG2 4.47Å; L49-A65 HydrophobicContact CB-CB 4.31Å; L49-A65 HydrophobicContact CD2-CB 4.45Å; L49-N68 WeakPolarHBondContact CD2-ND2 3.37Å; L49-N109 PolarHBondContact N-OD1 3.38Å; L49-N109 PolarHBondContact O-ND2 3.1Å
50R97.6Very high92.9Very high42 Ų4271.8 Ų71.816%0.15837%0.368CS..  trans-114.7148.9178.4-63.2-66.4-167.8162.5-6.6111.6P18 S37 E48 T52 K60 G61P18-R50 PolarHBondContact O-NH1 2.94Å; P18-R50 PolarHBondContact O-NH2 3.07Å; S37-R50 PolarHBondContact OG-NH2 2.81Å; E48-R50 PolarHBondContact O-N 2.75Å; E48-R50 IonicContact OE1-CZ 3.99Å; E48-R50 IonicContact OE1-NE 3.85Å; E48-R50 PolarHBondContact OE1-NE 3.48Å; E48-R50 IonicContact OE1-NH1 3.87Å; E48-R50 IonicContact OE1-NH2 3.17Å; E48-R50 PolarHBondContact OE1-NH2 3.5Å; E48-R50 IonicContact OE2-NH2 3.77Å; R50-T52 HydrophobicContact CB-CG2 4.2Å; R50-T52 PolarHBondContact O-N 3.48Å; R50-K60 PolarHBondContact NH1-O 3.28Å; R50-G61 CarbonylContact C-O 3.53Å; R50-G61 WeakPolarHBondContact CA-O 3.21Å
51D97.4Very high94.1Very high20 Ų2071.6 Ų71.611%0.10737%0.367CS..  trans-7960.6178.7-56-25.8000111.7N53 S54 G61 V62 L63 T64D51-N53 PolarHBondContact O-N 2.98Å; D51-N53 VanDerWaalsContact O-N 3.1Å; D51-S54 WeakPolarHBondContact O-CB 3.43Å; D51-S54 PolarHBondContact O-N 3.25Å; D51-G61 VanDerWaalsContact CG-C 3.44Å; D51-G61 PolarHBondContact N-O 3.33Å; D51-G61 WeakPolarHBondContact OD2-CA 3.34Å; D51-V62 PolarHBondContact OD2-N 2.81Å; D51-L63 PolarHBondContact OD1-N 2.89Å; D51-L63 WeakPolarHBondContact OD2-CB 3.33Å; D51-L63 PolarHBondContact OD2-N 2.83Å; D51-T64 VanDerWaalsContact OD1-CB 3.27Å; D51-T64 WeakPolarHBondContact OD1-CB 3.38Å; D51-T64 PolarHBondContact OD1-N 3.2Å; D51-T64 PolarHBondContact OD1-OG1 3.48Å; D51-T64 VanDerWaalsContact OD1-OG1 3.05Å
52T93.5Very high95Very high86 Ų8668.3 Ų68.353%0.52835%0.347SS..THydrogen-bonded Turntrans-62.5-22.3-170.5540000114.8R50 S54R50-T52 HydrophobicContact CB-CG2 4.2Å; R50-T52 PolarHBondContact O-N 3.48Å; T52-S54 VanDerWaalsContact C-N 3.32Å
53N92.6Very high95.8Very high168 Ų16872.9 Ų72.990%0.89837%0.37SS*.THydrogen-bonded Turntrans-79.1-12.1175.9-67.6-38000113.5D51D51-N53 PolarHBondContact O-N 2.98Å; D51-N53 VanDerWaalsContact O-N 3.1Å
54S92.5Very high96.1Very high47 Ų4771.3 Ų71.333%0.32936%0.36SS..  trans-91.9140.5178-176.70000111.4D51 T52 A56 K59D51-S54 WeakPolarHBondContact O-CB 3.43Å; D51-S54 PolarHBondContact O-N 3.25Å; T52-S54 VanDerWaalsContact C-N 3.32Å; S54-A56 PolarHBondContact O-N 2.95Å; S54-A56 WeakPolarHBondContact OG-CB 3.44Å; S54-A56 PolarHBondContact OG-N 2.65Å; S54-A56 VanDerWaalsContact OG-N 3.14Å; S54-K59 WeakPolarHBondContact O-CA 3.32Å; S54-K59 VanDerWaalsContact O-CG 3.31Å; S54-K59 WeakPolarHBondContact O-CG 3.29Å
55K93.9Very high96.3Very high197 Ų19768.7 Ų68.786%0.85735%0.348SS*.  trans-75.9-12.5169.8-66.5-173.9-179.6-179.40113
56A95.5Very high96.5Very high45 Ų4568 Ų6837%0.37235%0.346SS..G310 helixtrans-66.9148.2-179.500000111.5S54 M58 K59S54-A56 PolarHBondContact O-N 2.95Å; S54-A56 WeakPolarHBondContact OG-CB 3.44Å; S54-A56 PolarHBondContact OG-N 2.65Å; S54-A56 VanDerWaalsContact OG-N 3.14Å; A56-M58 PolarHBondContact O-N 3.37Å; A56-M58 VanDerWaalsContact O-N 3.08Å; A56-K59 PolarHBondContact O-N 3.44Å
57Y96.4Very high96.6Very high113 Ų11369.3 Ų69.344%0.44335%0.354SS..G310 helixtrans49.637.1175.7-52.8-75.9000114.1Q10 F12 P18 K59 K60Q10-Y57 VanDerWaalsContact NE2-CE2 3.3Å; F12-Y57 HydrophobicContact CE1-CD1 4.08Å; F12-Y57 AromaticContact CE1-CE1 3.87Å; F12-Y57 HydrophobicContact CE1-CE1 3.87Å; F12-Y57 HydrophobicContact CZ-CD1 4.43Å; F12-Y57 AromaticContact CZ-CE1 3.76Å; F12-Y57 HydrophobicContact CZ-CE1 3.76Å; P18-Y57 HydrophobicContact CG-CD1 3.77Å; P18-Y57 HydrophobicContact CG-CD2 3.98Å; P18-Y57 HydrophobicContact CG-CE1 4.45Å; P18-Y57 HydrophobicContact CG-CG 3.5Å; P18-Y57 VanDerWaalsContact CG-CG 3.5Å; Y57-K59 PolarHBondContact O-N 2.95Å; Y57-K60 VanDerWaalsContact O-CB 3.28Å; Y57-K60 WeakPolarHBondContact O-CB 3.28Å; Y57-K60 PolarHBondContact O-N 3.07Å
58M95.9Very high96.7Very high155 Ų15566.7 Ų66.776%0.76434%0.341SS*.G310 helixtrans56.137.3-177.6-50.1-57.8-72.200113.2A56 K60A56-M58 PolarHBondContact O-N 3.37Å; A56-M58 VanDerWaalsContact O-N 3.08Å; M58-K60 PolarHBondContact O-N 2.87Å
59K96.4Very high96.8Very high126 Ų12664.4 Ų64.455%0.54833%0.33SS..G310 helixtrans6915.6-177-52.7176.5170.2-177.90114.7S54 A56 Y57S54-K59 WeakPolarHBondContact O-CA 3.32Å; S54-K59 VanDerWaalsContact O-CG 3.31Å; S54-K59 WeakPolarHBondContact O-CG 3.29Å; A56-K59 PolarHBondContact O-N 3.44Å; Y57-K59 PolarHBondContact O-N 2.95Å
60K97Very high96.9Very high83 Ų8365.3 Ų65.336%0.36134%0.335SS..THydrogen-bonded Turntrans-106.216.5-177.9-57.8172.7178.8167.80113.4N17 P18 R50 Y57 M58N17-K60 HydrophobicContact CB-CD 4.25Å; N17-K60 WeakPolarHBondContact OD1-CD 3.32Å; N17-K60 PolarHBondContact OD1-NZ 3.23Å; P18-K60 WeakPolarHBondContact CB-O 3.4Å; P18-K60 WeakPolarHBondContact CG-O 3.37Å; R50-K60 PolarHBondContact NH1-O 3.28Å; Y57-K60 VanDerWaalsContact O-CB 3.28Å; Y57-K60 WeakPolarHBondContact O-CB 3.28Å; Y57-K60 PolarHBondContact O-N 3.07Å; M58-K60 PolarHBondContact O-N 2.87Å
61G98Very high97Very high2 Ų270.8 Ų70.82%0.02136%0.36CS..  trans-56.7156.3171.500000111.8R50 D51R50-G61 CarbonylContact C-O 3.53Å; R50-G61 WeakPolarHBondContact CA-O 3.21Å; D51-G61 VanDerWaalsContact CG-C 3.44Å; D51-G61 PolarHBondContact N-O 3.33Å; D51-G61 WeakPolarHBondContact OD2-CA 3.34Å
62V98.6Very high97Very high0 Ų073.1 Ų73.10%037%0.372CS..  trans-127.221.7176.6-64.60000111.9Q10 P18 V20 D51 T64 A65 V66Q10-V62 HydrophobicContact CB-CG2 4.06Å; Q10-V62 HydrophobicContact CG-CG2 3.68Å; Q10-V62 VanDerWaalsContact OE1-N 3.1Å; P18-V62 HydrophobicContact CB-CG1 4.49Å; P18-V62 HydrophobicContact CB-CG2 4.12Å; V20-V62 HydrophobicContact CG2-CB 4Å; V20-V62 HydrophobicContact CG2-CG2 4.06Å; D51-V62 PolarHBondContact OD2-N 2.81Å; V62-T64 VanDerWaalsContact C-N 3.28Å; V62-T64 PolarHBondContact O-N 2.97Å; V62-A65 HydrophobicContact CB-CB 4.47Å; V62-A65 PolarHBondContact O-N 3.4Å; V62-A65 VanDerWaalsContact O-N 3.16Å; V62-V66 HydrophobicContact CG2-CG2 4.25Å; V62-V66 WeakPolarHBondContact O-CG2 3.33Å; V62-V66 PolarHBondContact O-N 2.87Å
63L98.5Very high97.3Very high101 Ų10169 Ų6953%0.52935%0.346SS..Hα-helixtrans-67-29.7-175.9-64.1-179.7000112Q10 D51 S67Q10-L63 HydrophobicContact CB-CD2 4.17Å; D51-L63 PolarHBondContact OD1-N 2.89Å; D51-L63 WeakPolarHBondContact OD2-CB 3.33Å; D51-L63 PolarHBondContact OD2-N 2.83Å; L63-S67 WeakPolarHBondContact O-CB 3.29Å; L63-S67 PolarHBondContact O-N 3.39Å
64T98.5Very high97.6Very high70 Ų7061.2 Ų61.243%0.42931%0.305SS..Hα-helixtrans-64.1-47.5170.4-61.40000111.1L49 D51 V62 V66 S67 N68L49-T64 HydrophobicContact CD2-CG2 3.79Å; L49-T64 HydrophobicContact CG-CG2 4.47Å; D51-T64 VanDerWaalsContact OD1-CB 3.27Å; D51-T64 WeakPolarHBondContact OD1-CB 3.38Å; D51-T64 PolarHBondContact OD1-N 3.2Å; D51-T64 PolarHBondContact OD1-OG1 3.48Å; D51-T64 VanDerWaalsContact OD1-OG1 3.05Å; V62-T64 VanDerWaalsContact C-N 3.28Å; V62-T64 PolarHBondContact O-N 2.97Å; T64-V66 PolarHBondContact O-N 3.2Å; T64-S67 WeakPolarHBondContact O-CB 3.32Å; T64-S67 PolarHBondContact O-N 3Å; T64-N68 VanDerWaalsContact O-CG 3.3Å; T64-N68 PolarHBondContact O-N 2.76Å
65A98.7Very high97.8Very high0 Ų061.5 Ų61.50%031%0.306CS..Hα-helixtrans-61.4-44.5176.400000112.1V20 L49 V62 S67 N68 V69 A110V20-A65 HydrophobicContact CG2-CB 3.91Å; L49-A65 HydrophobicContact CB-CB 4.31Å; L49-A65 HydrophobicContact CD2-CB 4.45Å; V62-A65 HydrophobicContact CB-CB 4.47Å; V62-A65 PolarHBondContact O-N 3.4Å; V62-A65 VanDerWaalsContact O-N 3.16Å; A65-S67 VanDerWaalsContact C-N 3.31Å; A65-S67 PolarHBondContact O-N 3.49Å; A65-N68 WeakPolarHBondContact O-CB 3.19Å; A65-N68 PolarHBondContact O-N 2.96Å; A65-N68 VanDerWaalsContact O-N 3.15Å; A65-V69 PolarHBondContact O-N 3.4Å; A65-A110 HydrophobicContact CB-CB 4.33Å
66V98.8Very high98Very high13 Ų1352.9 Ų52.98%0.07927%0.272CS..Hα-helixtrans-59-42.2173.7168.20000111.4A8 Q10 V20 V62 T64 V69 N70A8-V66 HydrophobicContact CB-CB 4.44Å; A8-V66 HydrophobicContact CB-CG1 4.09Å; A8-V66 HydrophobicContact CB-CG2 4.48Å; A8-V66 WeakPolarHBondContact O-CG1 3.46Å; Q10-V66 HydrophobicContact CB-CG2 4.45Å; V20-V66 HydrophobicContact CG1-CG2 4.49Å; V20-V66 HydrophobicContact CG2-CG2 4.31Å; V62-V66 HydrophobicContact CG2-CG2 4.25Å; V62-V66 WeakPolarHBondContact O-CG2 3.33Å; V62-V66 PolarHBondContact O-N 2.87Å; T64-V66 PolarHBondContact O-N 3.2Å; V66-V69 PolarHBondContact O-N 2.73Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.22Å; V66-N70 WeakPolarHBondContact O-CB 3.18Å; V66-N70 PolarHBondContact O-N 3.49Å; V66-N70 PolarHBondContact O-ND2 3.48Å; V66-N70 VanDerWaalsContact O-ND2 3.12Å
67S98.8Very high98.2Very high36 Ų3650.8 Ų50.825%0.25225%0.254SS..Hα-helixtrans-65-39.4175.8-178.80000111.7L63 T64 A65 N70 K71L63-S67 WeakPolarHBondContact O-CB 3.29Å; L63-S67 PolarHBondContact O-N 3.39Å; T64-S67 WeakPolarHBondContact O-CB 3.32Å; T64-S67 PolarHBondContact O-N 3Å; A65-S67 VanDerWaalsContact C-N 3.31Å; A65-S67 PolarHBondContact O-N 3.49Å; S67-N70 PolarHBondContact O-N 3.21Å; S67-K71 VanDerWaalsContact O-CB 3.3Å; S67-K71 WeakPolarHBondContact O-CB 3.45Å; S67-K71 PolarHBondContact O-N 3.01Å; S67-K71 WeakPolarHBondContact OG-CD 3.46Å; S67-K71 PolarHBondContact OG-NZ 3.29Å
68N98.9Very high98.2Very high19 Ų1948 Ų4810%0.10225%0.247CC..Hα-helixtrans-61.4-43.1175.9-71.4-16.6000111.2L49 T64 A65 I72 I73 K105 L106 A110L49-N68 WeakPolarHBondContact CD2-ND2 3.37Å; T64-N68 VanDerWaalsContact O-CG 3.3Å; T64-N68 PolarHBondContact O-N 2.76Å; A65-N68 WeakPolarHBondContact O-CB 3.19Å; A65-N68 PolarHBondContact O-N 2.96Å; A65-N68 VanDerWaalsContact O-N 3.15Å; N68-I72 WeakPolarHBondContact O-CA 3.31Å; N68-I72 VanDerWaalsContact O-CB 3.28Å; N68-I72 WeakPolarHBondContact O-CB 3.46Å; N68-I72 PolarHBondContact O-N 2.65Å; N68-I73 PolarHBondContact O-N 3.36Å; N68-K105 PolarHBondContact ND2-O 2.95Å; N68-L106 HydrophobicContact CB-CD2 4.31Å; N68-L106 WeakPolarHBondContact ND2-CA 3.49Å; N68-L106 PolarHBondContact ND2-O 2.97Å; N68-A110 HydrophobicContact CB-CB 4.47Å
69V98.9Very high98.3Very high0 Ų047.1 Ų47.10%025%0.245CC..Iπ-helixtrans-60.9-55.1173.4178.80000110.8I6 A8 V22 A65 V66 K71 I73 A74 A110 V114I6-V69 HydrophobicContact CG2-CG1 3.72Å; A8-V69 HydrophobicContact CB-CB 3.53Å; A8-V69 HydrophobicContact CB-CG1 3.61Å; A8-V69 HydrophobicContact CB-CG2 3.99Å; V22-V69 HydrophobicContact CG2-CG1 4.34Å; V22-V69 HydrophobicContact CG2-CG2 4.49Å; A65-V69 PolarHBondContact O-N 3.4Å; V66-V69 PolarHBondContact O-N 2.73Å; V69-K71 PolarHBondContact O-N 3.17Å; V69-I73 HydrophobicContact CG2-CD1 4.27Å; V69-I73 PolarHBondContact O-N 3.07Å; V69-A74 WeakPolarHBondContact O-CB 3.39Å; V69-A74 PolarHBondContact O-N 3.16Å; V69-A110 HydrophobicContact CG2-CB 3.65Å; V69-A110 WeakPolarHBondContact CG2-O 3.34Å; V69-V114 HydrophobicContact CG1-CG2 3.68Å; V69-V114 HydrophobicContact CG2-CG2 4.24Å
70N98.9Very high98.3Very high49 Ų4947 Ų4726%0.26224%0.244SC..Iπ-helixtrans-66.5-37.7-171.8-75.8-41.3000113.8H7 A8 V66 S67H7-N70 VanDerWaalsContact CA-OD1 3.32Å; H7-N70 WeakPolarHBondContact CA-OD1 3.37Å; H7-N70 PolarHBondContact ND1-OD1 3.23Å; A8-N70 PolarHBondContact N-OD1 3.45Å; A8-N70 PolarHBondContact O-ND2 3.22Å; V66-N70 WeakPolarHBondContact CG1-ND2 3.22Å; V66-N70 WeakPolarHBondContact O-CB 3.18Å; V66-N70 PolarHBondContact O-N 3.49Å; V66-N70 PolarHBondContact O-ND2 3.48Å; V66-N70 VanDerWaalsContact O-ND2 3.12Å; S67-N70 PolarHBondContact O-N 3.21Å
71K98.7Very high98.2Very high156 Ų15647.7 Ų47.768%0.67825%0.252SS*.Iπ-helixtrans-102.6-20-171.1-60.2-176.1-174.2165.30114.3S67 V69 P75S67-K71 VanDerWaalsContact O-CB 3.3Å; S67-K71 WeakPolarHBondContact O-CB 3.45Å; S67-K71 PolarHBondContact O-N 3.01Å; S67-K71 WeakPolarHBondContact OG-CD 3.46Å; S67-K71 PolarHBondContact OG-NZ 3.29Å; V69-K71 PolarHBondContact O-N 3.17Å; K71-P75 VanDerWaalsContact O-CG 3.28Å; K71-P75 WeakPolarHBondContact O-CG 3.47Å
72I98.8Very high98.2Very high69 Ų6948.7 Ų48.735%0.35426%0.256SS..Iπ-helixtrans-118.9-61.1-174.2-53.3174000110.2N68 P75 A76 L97 L106N68-I72 WeakPolarHBondContact O-CA 3.31Å; N68-I72 VanDerWaalsContact O-CB 3.28Å; N68-I72 WeakPolarHBondContact O-CB 3.46Å; N68-I72 PolarHBondContact O-N 2.65Å; I72-P75 WeakPolarHBondContact O-CD 3.16Å; I72-P75 WeakPolarHBondContact O-CG 3.1Å; I72-A76 WeakPolarHBondContact O-CB 3.4Å; I72-A76 PolarHBondContact O-N 3.07Å; I72-L97 HydrophobicContact CG2-CD1 4.47Å; I72-L97 HydrophobicContact CG2-CD2 4.1Å; I72-L97 HydrophobicContact CG2-CG 4.34Å; I72-L106 HydrophobicContact CB-CD2 4.5Å; I72-L106 HydrophobicContact CD1-CD2 4.01Å; I72-L106 HydrophobicContact CG2-CD2 4.12Å
73I98.7Very high98.1Very high0 Ų051.6 Ų51.60%028%0.275CS..Iπ-helixtrans-68.2-48.3-173.8-59.3173.2000111.3N68 V69 A76 L77 M94 L97 L106 A110 I111 V114N68-I73 PolarHBondContact O-N 3.36Å; V69-I73 HydrophobicContact CG2-CD1 4.27Å; V69-I73 PolarHBondContact O-N 3.07Å; I73-A76 PolarHBondContact O-N 3.5Å; I73-L77 HydrophobicContact CG2-CD1 3.7Å; I73-L77 HydrophobicContact CG2-CG 4.19Å; I73-L77 PolarHBondContact O-N 3.03Å; I73-M94 HydrophobicContact CG2-CG 4.06Å; I73-M94 HydrophobicContact CG2-SD 3.8Å; I73-L97 HydrophobicContact CG1-CD2 4.36Å; I73-L106 HydrophobicContact CD1-CD1 4.13Å; I73-L106 HydrophobicContact CG1-CD1 3.93Å; I73-A110 HydrophobicContact CD1-CB 4.08Å; I73-I111 HydrophobicContact CD1-CG1 4.3Å; I73-V114 HydrophobicContact CG2-CB 4.49Å; I73-V114 HydrophobicContact CG2-CG1 4.26Å; I73-V114 HydrophobicContact CG2-CG2 4.04Å
74A98.7Very high98.1Very high4 Ų446.8 Ų46.83%0.03325%0.25CS..Hα-helixtrans-55.7-57.1-178.100000113.1I6 V69 A76 L77 I78I6-A74 HydrophobicContact CB-CB 3.7Å; I6-A74 HydrophobicContact CG2-CB 4.1Å; V69-A74 WeakPolarHBondContact O-CB 3.39Å; V69-A74 PolarHBondContact O-N 3.16Å; A74-A76 VanDerWaalsContact C-N 3.31Å; A74-A76 PolarHBondContact O-N 3.21Å; A74-L77 PolarHBondContact O-N 2.89Å; A74-I78 WeakPolarHBondContact O-CB 3.49Å; A74-I78 WeakPolarHBondContact O-CD1 3.3Å; A74-I78 VanDerWaalsContact O-CG1 3.23Å; A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 3.38Å; A74-I78 VanDerWaalsContact O-N 3.09Å
75P98.3Very high98.1Very high53 Ų5346.4 Ų46.434%0.34425%0.248SC..Hα-helixtrans-63.4-36.4178.123.2-32.5000112.4K71 I72 N79K71-P75 VanDerWaalsContact O-CG 3.28Å; K71-P75 WeakPolarHBondContact O-CG 3.47Å; I72-P75 WeakPolarHBondContact O-CD 3.16Å; I72-P75 WeakPolarHBondContact O-CG 3.1Å; P75-N79 VanDerWaalsContact O-CB 3.25Å; P75-N79 WeakPolarHBondContact O-CB 3.33Å; P75-N79 PolarHBondContact O-N 2.54Å; P75-N79 PolarHBondContact O-ND2 3.37Å
76A98.2Very high98Very high16 Ų1650 Ų5013%0.13227%0.267CS..Hα-helixtrans-63.2-47.8179.700000112.1I72 I73 A74 K80 Y93 L97I72-A76 WeakPolarHBondContact O-CB 3.4Å; I72-A76 PolarHBondContact O-N 3.07Å; I73-A76 PolarHBondContact O-N 3.5Å; A74-A76 VanDerWaalsContact C-N 3.31Å; A74-A76 PolarHBondContact O-N 3.21Å; A76-K80 VanDerWaalsContact O-CB 3.3Å; A76-K80 WeakPolarHBondContact O-CB 3.35Å; A76-K80 PolarHBondContact O-N 2.82Å; A76-Y93 HydrophobicContact CB-CE1 3.78Å; A76-L97 HydrophobicContact CB-CD2 3.75Å
77L98.1Very high98Very high1 Ų149.6 Ų49.61%0.00526%0.264CS..Hα-helixtrans-68.1-41.9179.2-75.4177.4000113.2I3 I6 I73 A74 K80 N81 I90 Y93 M94 V114I3-L77 HydrophobicContact CD1-CB 4.37Å; I6-L77 HydrophobicContact CD1-CB 4.17Å; I6-L77 HydrophobicContact CD1-CD1 3.83Å; I73-L77 HydrophobicContact CG2-CD1 3.7Å; I73-L77 HydrophobicContact CG2-CG 4.19Å; I73-L77 PolarHBondContact O-N 3.03Å; A74-L77 PolarHBondContact O-N 2.89Å; L77-K80 PolarHBondContact O-N 3.16Å; L77-N81 PolarHBondContact O-N 3.24Å; L77-I90 HydrophobicContact CD1-CG2 4.2Å; L77-I90 HydrophobicContact CD2-CG2 3.9Å; L77-Y93 HydrophobicContact CD2-CD1 3.52Å; L77-Y93 HydrophobicContact CD2-CE1 4.16Å; L77-Y93 HydrophobicContact CD2-CG 4.47Å; L77-Y93 HydrophobicContact CG-CD1 4.33Å; L77-M94 HydrophobicContact CD1-CG 4.06Å; L77-M94 HydrophobicContact CD1-SD 3.88Å; L77-M94 HydrophobicContact CD2-CG 4.26Å; L77-M94 HydrophobicContact CG-CG 4.4Å; L77-V114 HydrophobicContact CD1-CG1 3.58Å
78I97.8Very high98Very high56 Ų5650.3 Ų50.329%0.28727%0.273SS..Hα-helixtrans-61.2-46.6177.3-67.6165.8000109.9I3 A74 K80 N81I3-I78 HydrophobicContact CB-CG1 4.46Å; I3-I78 HydrophobicContact CG2-CG1 3.97Å; A74-I78 WeakPolarHBondContact O-CB 3.49Å; A74-I78 WeakPolarHBondContact O-CD1 3.3Å; A74-I78 VanDerWaalsContact O-CG1 3.23Å; A74-I78 WeakPolarHBondContact O-CG1 3.42Å; A74-I78 PolarHBondContact O-N 3.38Å; A74-I78 VanDerWaalsContact O-N 3.09Å; I78-K80 PolarHBondContact O-N 2.86Å; I78-N81 PolarHBondContact O-N 2.96Å
79N97.3Very high98Very high135 Ų13551 Ų5172%0.72228%0.281SS*.Hα-helixtrans-66.3-36.5178.8-70.9-18.7000112.6P75 N81P75-N79 VanDerWaalsContact O-CB 3.25Å; P75-N79 WeakPolarHBondContact O-CB 3.33Å; P75-N79 PolarHBondContact O-N 2.54Å; P75-N79 PolarHBondContact O-ND2 3.37Å; N79-N81 VanDerWaalsContact C-N 3.26Å; N79-N81 PolarHBondContact O-N 3.25Å
80K96.1Very high98Very high123 Ų12351 Ų5154%0.53528%0.281SS..Hα-helixtrans-69-26.1177.6-167.666.5176.3-178.10112.4A76 L77 I78 I82 Y93A76-K80 VanDerWaalsContact O-CB 3.3Å; A76-K80 WeakPolarHBondContact O-CB 3.35Å; A76-K80 PolarHBondContact O-N 2.82Å; L77-K80 PolarHBondContact O-N 3.16Å; I78-K80 PolarHBondContact O-N 2.86Å; K80-I82 VanDerWaalsContact C-N 3.3Å; K80-I82 HydrophobicContact CB-CG1 4.24Å; K80-I82 HydrophobicContact CG-CD1 3.71Å; K80-I82 HydrophobicContact CG-CG1 3.56Å; K80-I82 PolarHBondContact O-N 3.09Å; K80-Y93 HydrophobicContact CB-CE1 4.17Å; K80-Y93 HydrophobicContact CD-CD2 4.33Å; K80-Y93 HydrophobicContact CD-CE2 3.92Å; K80-Y93 HydrophobicContact CG-CD2 4.24Å; K80-Y93 HydrophobicContact CG-CE1 4.43Å; K80-Y93 HydrophobicContact CG-CE2 4.08Å; K80-Y93 HydrophobicContact CG-CG 4.49Å
81N95.7Very high98Very high98 Ų9848.6 Ų48.652%0.52427%0.268SS..THydrogen-bonded Turntrans55.139.3173.7-164.832.4000114.1S2 L77 I78 N79S2-N81 WeakPolarHBondContact CB-OD1 3.29Å; L77-N81 PolarHBondContact O-N 3.24Å; I78-N81 PolarHBondContact O-N 2.96Å; N79-N81 VanDerWaalsContact C-N 3.26Å; N79-N81 PolarHBondContact O-N 3.25Å
82I96.8Very high97.9Very high23 Ų2346.8 Ų46.812%0.11826%0.26CS..  trans-73.1132.6174.8-50.9179000108.5K80 V84 N86 A89 I90 Y93K80-I82 VanDerWaalsContact C-N 3.3Å; K80-I82 HydrophobicContact CB-CG1 4.24Å; K80-I82 HydrophobicContact CG-CD1 3.71Å; K80-I82 HydrophobicContact CG-CG1 3.56Å; K80-I82 PolarHBondContact O-N 3.09Å; I82-V84 PolarHBondContact O-N 3.28Å; I82-N86 HydrophobicContact CG2-CB 4.12Å; I82-A89 HydrophobicContact CD1-CB 4.3Å; I82-A89 HydrophobicContact CG2-CB 3.9Å; I82-I90 HydrophobicContact CB-CD1 4.35Å; I82-I90 HydrophobicContact CB-CG1 3.79Å; I82-I90 HydrophobicContact CD1-CG1 4.3Å; I82-I90 HydrophobicContact CG2-CD1 4.26Å; I82-I90 HydrophobicContact CG2-CG1 3.7Å; I82-Y93 HydrophobicContact CD1-CG 4.46Å
83P97.5Very high97.9Very high61 Ų6146.5 Ų46.540%0.39626%0.255SS..  trans-58.4135.7173.8-24.534.3000112M1 T85 N86M1-P83 WeakPolarHBondContact O-CA 3.29Å; P83-T85 PolarHBondContact O-N 3.38Å; P83-N86 PolarHBondContact O-N 3.35Å
84V98Very high97.9Very high0 Ų046.5 Ų46.50%026%0.255CS..THydrogen-bonded Turntrans-59.6-16.3177.3-62.90000114M1 I3 L24 T26 I82 N86 V118 A121 E125M1-V84 PolarHBondContact O-N 2.74Å; I3-V84 HydrophobicContact CD1-CG1 4.16Å; I3-V84 HydrophobicContact CG1-CG1 3.51Å; L24-V84 HydrophobicContact CD2-CG1 4.43Å; T26-V84 HydrophobicContact CG2-CG1 4.15Å; I82-V84 PolarHBondContact O-N 3.28Å; V84-N86 VanDerWaalsContact C-N 3.27Å; V84-N86 PolarHBondContact O-N 2.99Å; V84-V118 HydrophobicContact CB-CG1 4.46Å; V84-A121 HydrophobicContact CB-CB 4.18Å; V84-A121 HydrophobicContact CG1-CB 4.23Å; V84-A121 HydrophobicContact CG2-CB 4.23Å; V84-E125 HydrophobicContact CG2-CB 4.14Å; V84-E125 HydrophobicContact CG2-CG 4.48Å
85T97.8Very high97.9Very high62 Ų6248.3 Ų48.338%0.3826%0.264SS..THydrogen-bonded Turntrans-77-10.3173.949.10000113.8P83 E125 Y133P83-T85 PolarHBondContact O-N 3.38Å; T85-E125 HydrophobicContact CG2-CB 4Å; T85-E125 HydrophobicContact CG2-CG 3.58Å; T85-Y133 VanDerWaalsContact CA-OH 3.29Å; T85-Y133 WeakPolarHBondContact CA-OH 3.49Å; T85-Y133 PolarHBondContact O-OH 3Å
86N97.9Very high97.9Very high77 Ų7750.2 Ų50.241%0.41227%0.271SS..  trans-104.271.7176.6-166.9-16000110.5I82 P83 V84 A88 A89 I90I82-N86 HydrophobicContact CG2-CB 4.12Å; P83-N86 PolarHBondContact O-N 3.35Å; V84-N86 VanDerWaalsContact C-N 3.27Å; V84-N86 PolarHBondContact O-N 2.99Å; N86-A88 VanDerWaalsContact C-N 3.31Å; N86-A88 PolarHBondContact O-N 2.62Å; N86-A89 HydrophobicContact CB-CB 4.26Å; N86-A89 WeakPolarHBondContact ND2-CB 3.36Å; N86-A89 PolarHBondContact O-N 3.04Å; N86-A89 VanDerWaalsContact OD1-CB 3.26Å; N86-A89 WeakPolarHBondContact OD1-CB 3.34Å; N86-A89 PolarHBondContact OD1-N 3.09Å; N86-A89 VanDerWaalsContact OD1-N 3.14Å; N86-I90 PolarHBondContact O-N 3.42Å
87Q98.6Very high97.9Very high3 Ų351.5 Ų51.51%0.01428%0.276CS..Hα-helixtrans-52.3-48.2-179.3-173.769.144.700111.8A89 I90 D91 S115 C119 L137 L351Q87-A89 PolarHBondContact O-N 3Å; Q87-I90 PolarHBondContact O-N 3.22Å; Q87-D91 PolarHBondContact NE2-OD1 3.4Å; Q87-D91 VanDerWaalsContact NE2-OD1 3.17Å; Q87-D91 PolarHBondContact NE2-OD2 3.07Å; Q87-D91 PolarHBondContact O-N 3.36Å; Q87-S115 PolarHBondContact NE2-O 3.5Å; Q87-S115 VanDerWaalsContact NE2-O 3.07Å; Q87-S115 PolarHBondContact NE2-OG 3.05Å; Q87-C119 VanDerWaalsContact OE1-CA 3.28Å; Q87-L137 HydrophobicContact CB-CD1 4.04Å; Q87-L137 HydrophobicContact CB-CD2 4.1Å; Q87-L137 HydrophobicContact CG-CD1 4.2Å; Q87-L351 HydrophobicContact CG-CD2 4.15Å
88A98.5Very high98Very high52 Ų5251.6 Ų51.643%0.4328%0.276SS..Hα-helixtrans-62-40.5-176.300000112.6N86 K92 T352N86-A88 VanDerWaalsContact C-N 3.31Å; N86-A88 PolarHBondContact O-N 2.62Å; A88-K92 WeakPolarHBondContact O-CB 3.47Å; A88-K92 PolarHBondContact O-N 3.41Å; A88-T352 WeakPolarHBondContact CA-OG1 3.4Å; A88-T352 HydrophobicContact CB-CG2 4.13Å
89A98.4Very high98Very high32 Ų3251.9 Ų51.926%0.26429%0.293SS..Hα-helixtrans-70.1-35.5177.700000112.7I82 N86 Q87 Y93I82-A89 HydrophobicContact CD1-CB 4.3Å; I82-A89 HydrophobicContact CG2-CB 3.9Å; N86-A89 HydrophobicContact CB-CB 4.26Å; N86-A89 WeakPolarHBondContact ND2-CB 3.36Å; N86-A89 PolarHBondContact O-N 3.04Å; N86-A89 VanDerWaalsContact OD1-CB 3.26Å; N86-A89 WeakPolarHBondContact OD1-CB 3.34Å; N86-A89 PolarHBondContact OD1-N 3.09Å; N86-A89 VanDerWaalsContact OD1-N 3.14Å; Q87-A89 PolarHBondContact O-N 3Å; A89-Y93 VanDerWaalsContact O-CB 3.3Å; A89-Y93 WeakPolarHBondContact O-CB 3.42Å; A89-Y93 PolarHBondContact O-N 2.96Å
90I98.6Very high98Very high0 Ų047.7 Ų47.70%027%0.272CS..Hα-helixtrans-69.8-49.4176.8-71.7170.1000110.7I3 L77 I82 N86 Q87 K92 Y93 M94 V118I3-I90 HydrophobicContact CD1-CD1 4.47Å; L77-I90 HydrophobicContact CD1-CG2 4.2Å; L77-I90 HydrophobicContact CD2-CG2 3.9Å; I82-I90 HydrophobicContact CB-CD1 4.35Å; I82-I90 HydrophobicContact CB-CG1 3.79Å; I82-I90 HydrophobicContact CD1-CG1 4.3Å; I82-I90 HydrophobicContact CG2-CD1 4.26Å; I82-I90 HydrophobicContact CG2-CG1 3.7Å; N86-I90 PolarHBondContact O-N 3.42Å; Q87-I90 PolarHBondContact O-N 3.22Å; I90-K92 PolarHBondContact O-N 3.03Å; I90-Y93 PolarHBondContact O-N 2.92Å; I90-M94 HydrophobicContact CG2-CE 4.03Å; I90-M94 WeakPolarHBondContact O-CG 3.28Å; I90-M94 PolarHBondContact O-N 3.28Å; I90-V118 HydrophobicContact CB-CG1 4.38Å; I90-V118 HydrophobicContact CD1-CG1 3.49Å; I90-V118 VanDerWaalsContact CD1-CG1 3.49Å; I90-V118 HydrophobicContact CD1-CG2 4.36Å; I90-V118 HydrophobicContact CG2-CG1 4.15Å; I90-V118 HydrophobicContact CG2-CG2 3.94Å
91D98.7Very high97.9Very high0 Ų048.2 Ų48.20%028%0.276CS..Hα-helixtrans-60.7-47178-74-20.4000110.7Q87 Y93 M94 I95 S115 T352Q87-D91 PolarHBondContact NE2-OD1 3.4Å; Q87-D91 VanDerWaalsContact NE2-OD1 3.17Å; Q87-D91 PolarHBondContact NE2-OD2 3.07Å; Q87-D91 PolarHBondContact O-N 3.36Å; D91-Y93 VanDerWaalsContact C-N 3.29Å; D91-Y93 PolarHBondContact O-N 3.42Å; D91-M94 PolarHBondContact O-N 2.93Å; D91-M94 VanDerWaalsContact O-N 3.13Å; D91-M94 VanDerWaalsContact OD1-CE 3.3Å; D91-M94 WeakPolarHBondContact OD1-CE 3.18Å; D91-I95 WeakPolarHBondContact O-CD1 3.1Å; D91-I95 VanDerWaalsContact O-CG1 3.26Å; D91-I95 WeakPolarHBondContact O-CG1 3.45Å; D91-I95 PolarHBondContact O-N 3.49Å; D91-S115 WeakPolarHBondContact OD1-CB 3.39Å; D91-S115 PolarHBondContact OD1-OG 3.22Å; D91-S115 PolarHBondContact OD2-OG 3.35Å; D91-T352 WeakPolarHBondContact CB-OG1 3.48Å; D91-T352 VanDerWaalsContact OD2-CB 3.24Å; D91-T352 WeakPolarHBondContact OD2-CB 3.19Å; D91-T352 PolarHBondContact OD2-N 2.77Å; D91-T352 PolarHBondContact OD2-OG1 3.13Å
92K98.5Very high97.9Very high118 Ų11846 Ų4651%0.51326%0.264SS..Hα-helixtrans-56.1-43.6174.8176.2156.917543.10112.2A88 I90 M94 I95 D96A88-K92 WeakPolarHBondContact O-CB 3.47Å; A88-K92 PolarHBondContact O-N 3.41Å; I90-K92 PolarHBondContact O-N 3.03Å; K92-M94 VanDerWaalsContact C-N 3.35Å; K92-M94 PolarHBondContact O-N 2.97Å; K92-I95 PolarHBondContact O-N 3.1Å; K92-D96 VanDerWaalsContact NZ-CG 3.27Å; K92-D96 IonicContact NZ-OD1 2.96Å; K92-D96 PolarHBondContact NZ-OD1 2.82Å; K92-D96 IonicContact NZ-OD2 2.86Å; K92-D96 PolarHBondContact NZ-OD2 2.95Å; K92-D96 WeakPolarHBondContact O-CB 3.07Å; K92-D96 PolarHBondContact O-N 3.32Å
93Y98.5Very high97.9Very high63 Ų6345 Ų4525%0.24726%0.259CS..Hα-helixtrans-64.5-38.7179.1-176.3-103.1000112.4A76 L77 K80 I82 A89 I90 D91 L97A76-Y93 HydrophobicContact CB-CE1 3.78Å; L77-Y93 HydrophobicContact CD2-CD1 3.52Å; L77-Y93 HydrophobicContact CD2-CE1 4.16Å; L77-Y93 HydrophobicContact CD2-CG 4.47Å; L77-Y93 HydrophobicContact CG-CD1 4.33Å; K80-Y93 HydrophobicContact CB-CE1 4.17Å; K80-Y93 HydrophobicContact CD-CD2 4.33Å; K80-Y93 HydrophobicContact CD-CE2 3.92Å; K80-Y93 HydrophobicContact CG-CD2 4.24Å; K80-Y93 HydrophobicContact CG-CE1 4.43Å; K80-Y93 HydrophobicContact CG-CE2 4.08Å; K80-Y93 HydrophobicContact CG-CG 4.49Å; I82-Y93 HydrophobicContact CD1-CG 4.46Å; A89-Y93 VanDerWaalsContact O-CB 3.3Å; A89-Y93 WeakPolarHBondContact O-CB 3.42Å; A89-Y93 PolarHBondContact O-N 2.96Å; I90-Y93 PolarHBondContact O-N 2.92Å; D91-Y93 VanDerWaalsContact C-N 3.29Å; D91-Y93 PolarHBondContact O-N 3.42Å; Y93-L97 VanDerWaalsContact O-CB 3.25Å; Y93-L97 WeakPolarHBondContact O-CB 3.34Å; Y93-L97 PolarHBondContact O-N 3.41Å
94M98.7Very high97.9Very high0 Ų047.1 Ų47.10%026%0.264CS..Hα-helixtrans-68.6-39.7175.4-66.4-172.1-66.200112.5I73 L77 I90 D91 K92 L97 D98 I111 V114I73-M94 HydrophobicContact CG2-CG 4.06Å; I73-M94 HydrophobicContact CG2-SD 3.8Å; L77-M94 HydrophobicContact CD1-CG 4.06Å; L77-M94 HydrophobicContact CD1-SD 3.88Å; L77-M94 HydrophobicContact CD2-CG 4.26Å; L77-M94 HydrophobicContact CG-CG 4.4Å; I90-M94 HydrophobicContact CG2-CE 4.03Å; I90-M94 WeakPolarHBondContact O-CG 3.28Å; I90-M94 PolarHBondContact O-N 3.28Å; D91-M94 PolarHBondContact O-N 2.93Å; D91-M94 VanDerWaalsContact O-N 3.13Å; D91-M94 VanDerWaalsContact OD1-CE 3.3Å; D91-M94 WeakPolarHBondContact OD1-CE 3.18Å; K92-M94 VanDerWaalsContact C-N 3.35Å; K92-M94 PolarHBondContact O-N 2.97Å; M94-L97 WeakPolarHBondContact O-CB 3.32Å; M94-L97 PolarHBondContact O-N 3.11Å; M94-D98 PolarHBondContact O-N 3.27Å; M94-I111 HydrophobicContact CB-CG2 3.97Å; M94-I111 HydrophobicContact CE-CG2 4.02Å; M94-I111 HydrophobicContact SD-CG2 4.32Å; M94-V114 HydrophobicContact CE-CB 4.41Å; M94-V114 HydrophobicContact CE-CG1 4.33Å; M94-V114 HydrophobicContact SD-CB 3.71Å; M94-V114 HydrophobicContact SD-CG1 3.57Å; M94-V114 VanDerWaalsContact SD-CG1 3.57Å
95I98.5Very high97.9Very high41 Ų4153 Ų5321%0.2129%0.289CS..Hα-helixtrans-62.3-46.4175.2-66.6161.2000110.2D91 K92 L97 D98 G99 E353D91-I95 WeakPolarHBondContact O-CD1 3.1Å; D91-I95 VanDerWaalsContact O-CG1 3.26Å; D91-I95 WeakPolarHBondContact O-CG1 3.45Å; D91-I95 PolarHBondContact O-N 3.49Å; K92-I95 PolarHBondContact O-N 3.1Å; I95-L97 VanDerWaalsContact C-N 3.3Å; I95-L97 PolarHBondContact O-N 3.35Å; I95-D98 PolarHBondContact O-N 3.39Å; I95-G99 PolarHBondContact O-N 2.95Å; I95-E353 HydrophobicContact CD1-CG 4.11Å; I95-E353 VanDerWaalsContact CD1-OE2 3.32Å; I95-E353 WeakPolarHBondContact CD1-OE2 3.46Å
96D98.4Very high97.9Very high94 Ų9450.1 Ų50.150%0.50327%0.272SS..Hα-helixtrans-65.6-33177.4-66.2-20.1000111.8K92K92-D96 VanDerWaalsContact NZ-CG 3.27Å; K92-D96 IonicContact NZ-OD1 2.96Å; K92-D96 PolarHBondContact NZ-OD1 2.82Å; K92-D96 IonicContact NZ-OD2 2.86Å; K92-D96 PolarHBondContact NZ-OD2 2.95Å; K92-D96 WeakPolarHBondContact O-CB 3.07Å; K92-D96 PolarHBondContact O-N 3.32Å
97L98.4Very high97.9Very high43 Ų4346.4 Ų46.423%0.22525%0.252CS..Hα-helixtrans-69.1-36.8177.3-176.263.4000112.5I72 I73 A76 Y93 M94 I95 K105 L106I72-L97 HydrophobicContact CG2-CD1 4.47Å; I72-L97 HydrophobicContact CG2-CD2 4.1Å; I72-L97 HydrophobicContact CG2-CG 4.34Å; I73-L97 HydrophobicContact CG1-CD2 4.36Å; A76-L97 HydrophobicContact CB-CD2 3.75Å; Y93-L97 VanDerWaalsContact O-CB 3.25Å; Y93-L97 WeakPolarHBondContact O-CB 3.34Å; Y93-L97 PolarHBondContact O-N 3.41Å; M94-L97 WeakPolarHBondContact O-CB 3.32Å; M94-L97 PolarHBondContact O-N 3.11Å; I95-L97 VanDerWaalsContact C-N 3.3Å; I95-L97 PolarHBondContact O-N 3.35Å; L97-K105 PolarHBondContact O-NZ 2.9Å; L97-K105 VanDerWaalsContact O-NZ 3.08Å; L97-L106 HydrophobicContact CB-CD1 4.42Å; L97-L106 HydrophobicContact CD2-CD1 4.31Å; L97-L106 HydrophobicContact CG-CD1 4.1Å
98D98.6Very high97.9Very high3 Ų346.4 Ų46.42%0.01625%0.252CS..Hα-helixtrans-66.5-56.8168.8-178-79.8000110.6M94 I95 T100 K103 K105 L106 I111M94-D98 PolarHBondContact O-N 3.27Å; I95-D98 PolarHBondContact O-N 3.39Å; D98-T100 VanDerWaalsContact C-N 3.3Å; D98-T100 PolarHBondContact O-N 2.91Å; D98-T100 WeakPolarHBondContact OD1-CA 3.29Å; D98-T100 VanDerWaalsContact OD1-CB 3.29Å; D98-T100 WeakPolarHBondContact OD1-CB 3.31Å; D98-T100 PolarHBondContact OD1-N 3.49Å; D98-T100 PolarHBondContact OD1-OG1 3.18Å; D98-K103 WeakPolarHBondContact OD1-CA 3.13Å; D98-K103 VanDerWaalsContact OD2-C 3.3Å; D98-K105 WeakPolarHBondContact O-CD 2.95Å; D98-K105 PolarHBondContact OD2-N 3.41Å; D98-L106 HydrophobicContact CB-CB 4.39Å; D98-L106 HydrophobicContact CB-CD1 3.89Å; D98-L106 HydrophobicContact CB-CG 3.98Å; D98-L106 WeakPolarHBondContact OD2-CB 3.02Å; D98-L106 PolarHBondContact OD2-N 2.78Å; D98-I111 HydrophobicContact CB-CD1 3.9Å
99G98.1Very high98Very high62 Ų6244.1 Ų44.164%0.63923%0.233SC*.  trans75.312.4174.800000115I95I95-G99 PolarHBondContact O-N 2.95Å
100T98Very high98Very high46 Ų4642.6 Ų42.628%0.28222%0.22SC..SBendtrans-113.3156.8174.274.40000111.2D98 K103 E104 K105D98-T100 VanDerWaalsContact C-N 3.3Å; D98-T100 PolarHBondContact O-N 2.91Å; D98-T100 WeakPolarHBondContact OD1-CA 3.29Å; D98-T100 VanDerWaalsContact OD1-CB 3.29Å; D98-T100 WeakPolarHBondContact OD1-CB 3.31Å; D98-T100 PolarHBondContact OD1-N 3.49Å; D98-T100 PolarHBondContact OD1-OG1 3.18Å; T100-K103 WeakPolarHBondContact OG1-CA 3.39Å; T100-K103 PolarHBondContact OG1-N 3.31Å; T100-K103 VanDerWaalsContact OG1-N 3.12Å; T100-E104 PolarHBondContact OG1-N 2.82Å; T100-K105 HydrophobicContact CG2-CB 3.91Å
101E94.3Very high98Very high135 Ų13542.6 Ų42.663%0.63122%0.22SC*.THydrogen-bonded Turntrans-64.6-43.6-178.7-177.9166.8-165.700112.4K327E101-K327 IonicContact OE1-NZ 3.02Å; E101-K327 PolarHBondContact OE1-NZ 2.79Å
102N95.1Very high98Very high50 Ų5042.6 Ų42.627%0.26722%0.22SC..THydrogen-bonded Turntrans-103.418-175-63.9-30.8000113.5L47 E104L47-N102 PolarHBondContact N-O 3.24Å; N102-E104 VanDerWaalsContact C-N 3.26Å; N102-E104 HydrophobicContact CB-CG 3.82Å; N102-E104 PolarHBondContact O-N 3.22Å
103K98Very high98Very high4 Ų437 Ų372%0.01720%0.196CC..  trans59.934.1178.9-58.5171.8174.171.60113.5A46 D98 T100 K105 G107 A108 I111 I348 E353A46-K103 HydrophobicContact CB-CD 4.41Å; D98-K103 WeakPolarHBondContact OD1-CA 3.13Å; D98-K103 VanDerWaalsContact OD2-C 3.3Å; T100-K103 WeakPolarHBondContact OG1-CA 3.39Å; T100-K103 PolarHBondContact OG1-N 3.31Å; T100-K103 VanDerWaalsContact OG1-N 3.12Å; K103-K105 PolarHBondContact O-N 3.07Å; K103-G107 CarbonylContact O-C 3.58Å; K103-G107 WeakPolarHBondContact O-CA 3.35Å; K103-G107 PolarHBondContact O-N 3.47Å; K103-A108 HydrophobicContact CB-CB 4.18Å; K103-A108 HydrophobicContact CD-CB 4.22Å; K103-A108 PolarHBondContact O-N 3.04Å; K103-I111 HydrophobicContact CB-CD1 3.97Å; K103-I111 HydrophobicContact CD-CD1 3.94Å; K103-I111 HydrophobicContact CG-CD1 3.85Å; K103-I348 WeakPolarHBondContact CD-O 3.17Å; K103-I348 WeakPolarHBondContact CE-O 3.38Å; K103-I348 PolarHBondContact NZ-O 3.24Å; K103-E353 WeakPolarHBondContact CE-OE2 3.21Å; K103-E353 IonicContact NZ-OE1 3.86Å; K103-E353 PolarHBondContact NZ-OE1 2.72Å; K103-E353 IonicContact NZ-OE2 2.95Å; K103-E353 PolarHBondContact NZ-OE2 2.71Å
104E96.3Very high98Very high104 Ų10434 Ų3449%0.48618%0.184SC..THydrogen-bonded Turntrans-74.8-24.8-170.5-57178.8155.500113.2L47 T100 N102L47-E104 HydrophobicContact CB-CG 4.04Å; L47-E104 HydrophobicContact CD2-CB 3.88Å; L47-E104 HydrophobicContact CD2-CG 4.05Å; T100-E104 PolarHBondContact OG1-N 2.82Å; N102-E104 VanDerWaalsContact C-N 3.26Å; N102-E104 HydrophobicContact CB-CG 3.82Å; N102-E104 PolarHBondContact O-N 3.22Å
105K98Very high98Very high124 Ų12434 Ų3454%0.53918%0.184SC..THydrogen-bonded Turntrans-77.5-47.4-175.1-178.9-166.6178.1-171.60111.7N68 L97 D98 T100 K103N68-K105 PolarHBondContact ND2-O 2.95Å; L97-K105 PolarHBondContact O-NZ 2.9Å; L97-K105 VanDerWaalsContact O-NZ 3.08Å; D98-K105 WeakPolarHBondContact O-CD 2.95Å; D98-K105 PolarHBondContact OD2-N 3.41Å; T100-K105 HydrophobicContact CG2-CB 3.91Å; K103-K105 PolarHBondContact O-N 3.07Å
106L98.5Very high98.1Very high1 Ų132.2 Ų32.21%0.00518%0.175CC..THydrogen-bonded Turntrans-96.1-27.9-179.6-58.9-176.6000111.9N68 I72 I73 L97 D98 A110 I111N68-L106 HydrophobicContact CB-CD2 4.31Å; N68-L106 WeakPolarHBondContact ND2-CA 3.49Å; N68-L106 PolarHBondContact ND2-O 2.97Å; I72-L106 HydrophobicContact CB-CD2 4.5Å; I72-L106 HydrophobicContact CD1-CD2 4.01Å; I72-L106 HydrophobicContact CG2-CD2 4.12Å; I73-L106 HydrophobicContact CD1-CD1 4.13Å; I73-L106 HydrophobicContact CG1-CD1 3.93Å; L97-L106 HydrophobicContact CB-CD1 4.42Å; L97-L106 HydrophobicContact CD2-CD1 4.31Å; L97-L106 HydrophobicContact CG-CD1 4.1Å; D98-L106 HydrophobicContact CB-CB 4.39Å; D98-L106 HydrophobicContact CB-CD1 3.89Å; D98-L106 HydrophobicContact CB-CG 3.98Å; D98-L106 WeakPolarHBondContact OD2-CB 3.02Å; D98-L106 PolarHBondContact OD2-N 2.78Å; L106-A110 VanDerWaalsContact O-CB 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.25Å; L106-I111 HydrophobicContact CB-CD1 4.44Å; L106-I111 HydrophobicContact CB-CG1 4.39Å
107G98.3Very high98.1Very high0 Ų027.7 Ų27.70%015%0.151CC..  trans94.2131-172.300000111.6K103 N109 A110 I111K103-G107 CarbonylContact O-C 3.58Å; K103-G107 WeakPolarHBondContact O-CA 3.35Å; K103-G107 PolarHBondContact O-N 3.47Å; G107-N109 PolarHBondContact O-N 3.42Å; G107-A110 WeakPolarHBondContact O-CB 3.39Å; G107-A110 PolarHBondContact O-N 3.01Å; G107-I111 PolarHBondContact O-N 2.71Å
108A98.5Very high98.1Very high3 Ų325.7 Ų25.73%0.02514%0.14CC..Hα-helixtrans-57.9-34.6174.700000111.7A46 L47 K103 A110 I111 L112A46-A108 HydrophobicContact CB-CB 3.66Å; L47-A108 WeakPolarHBondContact O-CB 3.44Å; L47-A108 PolarHBondContact O-N 3.22Å; K103-A108 HydrophobicContact CB-CB 4.18Å; K103-A108 HydrophobicContact CD-CB 4.22Å; K103-A108 PolarHBondContact O-N 3.04Å; A108-A110 PolarHBondContact O-N 2.79Å; A108-I111 PolarHBondContact O-N 2.74Å; A108-L112 WeakPolarHBondContact O-CB 3.38Å; A108-L112 PolarHBondContact O-N 2.92Å
109N98.6Very high98.1Very high3 Ų325.5 Ų25.52%0.01614%0.139CC..Hα-helixtrans-66.9-29.617457.2-16.8000114.1V20 V35 E48 L49 G107V20-N109 HydrophobicContact CG2-CB 4.22Å; V35-N109 HydrophobicContact CG1-CB 3.97Å; V35-N109 WeakPolarHBondContact CG2-O 3.31Å; E48-N109 HydrophobicContact CG-CB 4.27Å; L49-N109 PolarHBondContact N-OD1 3.38Å; L49-N109 PolarHBondContact O-ND2 3.1Å; G107-N109 PolarHBondContact O-N 3.42Å
110A98.8Very high98.1Very high0 Ų024.5 Ų24.50%012%0.118CC..Hα-helixtrans-72.4-46.1172.800000111.4A65 N68 V69 I73 L106 G107 A108A65-A110 HydrophobicContact CB-CB 4.33Å; N68-A110 HydrophobicContact CB-CB 4.47Å; V69-A110 HydrophobicContact CG2-CB 3.65Å; V69-A110 WeakPolarHBondContact CG2-O 3.34Å; I73-A110 HydrophobicContact CD1-CB 4.08Å; L106-A110 VanDerWaalsContact O-CB 3.25Å; L106-A110 WeakPolarHBondContact O-CB 3.25Å; G107-A110 WeakPolarHBondContact O-CB 3.39Å; G107-A110 PolarHBondContact O-N 3.01Å; A108-A110 PolarHBondContact O-N 2.79Å
111I98.8Very high98.2Very high0 Ų022.3 Ų22.30%010%0.104CC..Hα-helixtrans-67.6-47.3-177.7-63.8173.5000110.7I73 M94 D98 K103 L106 G107 A108 G113 V114 S115 G349I73-I111 HydrophobicContact CD1-CG1 4.3Å; M94-I111 HydrophobicContact CB-CG2 3.97Å; M94-I111 HydrophobicContact CE-CG2 4.02Å; M94-I111 HydrophobicContact SD-CG2 4.32Å; D98-I111 HydrophobicContact CB-CD1 3.9Å; K103-I111 HydrophobicContact CB-CD1 3.97Å; K103-I111 HydrophobicContact CD-CD1 3.94Å; K103-I111 HydrophobicContact CG-CD1 3.85Å; L106-I111 HydrophobicContact CB-CD1 4.44Å; L106-I111 HydrophobicContact CB-CG1 4.39Å; G107-I111 PolarHBondContact O-N 2.71Å; A108-I111 PolarHBondContact O-N 2.74Å; I111-G113 PolarHBondContact O-N 2.96Å; I111-V114 PolarHBondContact O-N 2.99Å; I111-S115 WeakPolarHBondContact O-CB 3.3Å; I111-S115 PolarHBondContact O-N 3.38Å; I111-G349 WeakPolarHBondContact CG2-O 3.47Å
112L98.9Very high98.4Very high0 Ų015.9 Ų15.90%07%0.074CC..Hα-helixtrans-62.2-44.6-176.5-179.264.2000111.9V35 A108 V114 S115 L116 V345 N346 G349V35-L112 HydrophobicContact CG1-CD2 4.01Å; V35-L112 HydrophobicContact CG2-CB 4.35Å; V35-L112 HydrophobicContact CG2-CD2 4.47Å; V35-L112 HydrophobicContact CG2-CG 4.42Å; A108-L112 WeakPolarHBondContact O-CB 3.38Å; A108-L112 PolarHBondContact O-N 2.92Å; L112-V114 PolarHBondContact O-N 3.39Å; L112-S115 WeakPolarHBondContact O-CB 3.33Å; L112-S115 PolarHBondContact O-N 3.29Å; L112-L116 HydrophobicContact CD1-CD1 4.03Å; L112-L116 HydrophobicContact CD1-CD2 3.86Å; L112-L116 HydrophobicContact CD1-CG 3.73Å; L112-L116 HydrophobicContact CD2-CD1 4.37Å; L112-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 HydrophobicContact CG-CG 4.02Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.43Å; L112-V345 HydrophobicContact CD1-CB 4.15Å; L112-V345 HydrophobicContact CD1-CG2 4.2Å; L112-V345 HydrophobicContact CD2-CB 4.46Å; L112-V345 HydrophobicContact CD2-CG2 3.89Å; L112-N346 VanDerWaalsContact CD2-CA 3.47Å; L112-N346 HydrophobicContact CD2-CB 3.45Å; L112-N346 VanDerWaalsContact CD2-CB 3.45Å; L112-G349 WeakPolarHBondContact CA-O 3.43Å; L112-G349 PolarHBondContact N-O 3.44Å
113G98.8Very high98.6Very high0 Ų013.7 Ų13.70%06%0.063CC..Hα-helixtrans-56.2-41.2-179.800000112.2I111 A117I111-G113 PolarHBondContact O-N 2.96Å; G113-A117 WeakPolarHBondContact O-CB 3.41Å; G113-A117 PolarHBondContact O-N 2.93Å
114V98.9Very high98.6Very high0 Ų015.1 Ų15.10%08%0.075CC..Hα-helixtrans-69.5-45.7174.7-178.90000111I6 V22 V69 I73 L77 M94 I111 L112 L116 A117 V118I6-V114 HydrophobicContact CD1-CG1 4.07Å; I6-V114 HydrophobicContact CG2-CG2 4.19Å; V22-V114 HydrophobicContact CG1-CG2 4.05Å; V22-V114 HydrophobicContact CG2-CG2 4.19Å; V69-V114 HydrophobicContact CG1-CG2 3.68Å; V69-V114 HydrophobicContact CG2-CG2 4.24Å; I73-V114 HydrophobicContact CG2-CB 4.49Å; I73-V114 HydrophobicContact CG2-CG1 4.26Å; I73-V114 HydrophobicContact CG2-CG2 4.04Å; L77-V114 HydrophobicContact CD1-CG1 3.58Å; M94-V114 HydrophobicContact CE-CB 4.41Å; M94-V114 HydrophobicContact CE-CG1 4.33Å; M94-V114 HydrophobicContact SD-CB 3.71Å; M94-V114 HydrophobicContact SD-CG1 3.57Å; M94-V114 VanDerWaalsContact SD-CG1 3.57Å; I111-V114 PolarHBondContact O-N 2.99Å; L112-V114 PolarHBondContact O-N 3.39Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 3.44Å; V114-A117 PolarHBondContact O-N 3.36Å; V114-V118 HydrophobicContact CG1-CG2 4.12Å; V114-V118 WeakPolarHBondContact O-CB 3.38Å; V114-V118 WeakPolarHBondContact O-CG2 3.41Å; V114-V118 PolarHBondContact O-N 2.87Å
115S98.9Very high98.7Very high0 Ų013 Ų130%07%0.065CC..Hα-helixtrans-53.8-45.6179.1-173.10000112.7Q87 D91 I111 L112 C119 L351Q87-S115 PolarHBondContact NE2-O 3.5Å; Q87-S115 VanDerWaalsContact NE2-O 3.07Å; Q87-S115 PolarHBondContact NE2-OG 3.05Å; D91-S115 WeakPolarHBondContact OD1-CB 3.39Å; D91-S115 PolarHBondContact OD1-OG 3.22Å; D91-S115 PolarHBondContact OD2-OG 3.35Å; I111-S115 WeakPolarHBondContact O-CB 3.3Å; I111-S115 PolarHBondContact O-N 3.38Å; L112-S115 WeakPolarHBondContact O-CB 3.33Å; L112-S115 PolarHBondContact O-N 3.29Å; S115-C119 PolarHBondContact O-N 3.2Å; S115-C119 VanDerWaalsContact O-N 3.12Å; S115-L351 WeakPolarHBondContact OG-CB 3.47Å; S115-L351 PolarHBondContact OG-N 2.76Å
116L98.9Very high98.6Very high4 Ų48.7 Ų8.72%0.0215%0.053CC..Hα-helixtrans-71.4-41.2179.2-60.4-175.6000112.2A33 L112 V114 V118 C119 K120 L351 F381A33-L116 HydrophobicContact CB-CB 3.51Å; L112-L116 HydrophobicContact CD1-CD1 4.03Å; L112-L116 HydrophobicContact CD1-CD2 3.86Å; L112-L116 HydrophobicContact CD1-CG 3.73Å; L112-L116 HydrophobicContact CD2-CD1 4.37Å; L112-L116 HydrophobicContact CG-CD1 3.93Å; L112-L116 HydrophobicContact CG-CG 4.02Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 3.43Å; V114-L116 VanDerWaalsContact C-N 3.32Å; V114-L116 PolarHBondContact O-N 3.44Å; L116-V118 VanDerWaalsContact C-N 3.3Å; L116-V118 PolarHBondContact O-N 2.82Å; L116-C119 WeakPolarHBondContact O-CB 3.38Å; L116-C119 PolarHBondContact O-N 3.31Å; L116-K120 WeakPolarHBondContact O-CG 3.47Å; L116-K120 PolarHBondContact O-N 3.27Å; L116-L351 HydrophobicContact CD2-CB 4.45Å; L116-F381 HydrophobicContact CB-CD2 4.24Å; L116-F381 HydrophobicContact CB-CE2 4.28Å; L116-F381 HydrophobicContact CD1-CG 4.39Å; L116-F381 HydrophobicContact CD2-CD1 3.75Å; L116-F381 HydrophobicContact CD2-CD2 4.05Å; L116-F381 HydrophobicContact CD2-CE1 3.47Å; L116-F381 VanDerWaalsContact CD2-CE1 3.47Å; L116-F381 HydrophobicContact CD2-CE2 3.79Å; L116-F381 HydrophobicContact CD2-CG 4.05Å; L116-F381 HydrophobicContact CD2-CZ 3.51Å
117A98.9Very high98.6Very high0 Ų011.9 Ų11.90%09%0.086CC..Hα-helixtrans-64.5-36.1176.500000111.9V22 L24 A33 G113 V114 K120 A121V22-A117 HydrophobicContact CG1-CB 4.19Å; L24-A117 HydrophobicContact CB-CB 3.87Å; A33-A117 HydrophobicContact CB-CB 4.14Å; G113-A117 WeakPolarHBondContact O-CB 3.41Å; G113-A117 PolarHBondContact O-N 2.93Å; V114-A117 PolarHBondContact O-N 3.36Å; A117-K120 PolarHBondContact O-N 3.27Å; A117-A121 PolarHBondContact O-N 2.56Å
118V98.8Very high98.6Very high0 Ų014 Ų140%010%0.097CC..Hα-helixtrans-61.3-46.2171.9168.60000110.7L24 V84 I90 V114 L116 K120 A121 G122L24-V118 HydrophobicContact CD1-CB 4.34Å; L24-V118 HydrophobicContact CD1-CG2 3.41Å; L24-V118 VanDerWaalsContact CD1-CG2 3.41Å; V84-V118 HydrophobicContact CB-CG1 4.46Å; I90-V118 HydrophobicContact CB-CG1 4.38Å; I90-V118 HydrophobicContact CD1-CG1 3.49Å; I90-V118 VanDerWaalsContact CD1-CG1 3.49Å; I90-V118 HydrophobicContact CD1-CG2 4.36Å; I90-V118 HydrophobicContact CG2-CG1 4.15Å; I90-V118 HydrophobicContact CG2-CG2 3.94Å; V114-V118 HydrophobicContact CG1-CG2 4.12Å; V114-V118 WeakPolarHBondContact O-CB 3.38Å; V114-V118 WeakPolarHBondContact O-CG2 3.41Å; V114-V118 PolarHBondContact O-N 2.87Å; L116-V118 VanDerWaalsContact C-N 3.3Å; L116-V118 PolarHBondContact O-N 2.82Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 3.38Å; V118-A121 CarbonylContact O-C 3.54Å; V118-A121 WeakPolarHBondContact O-CB 3.46Å; V118-A121 PolarHBondContact O-N 3.37Å; V118-A121 VanDerWaalsContact O-N 3.16Å; V118-G122 PolarHBondContact O-N 3.03Å
119C98.8Very high98.6Very high0 Ų015.9 Ų15.90%011%0.11CC..Hα-helixtrans-60.6-43.5178.3-175.40000112.1Q87 S115 L116 A121 G122 A123 Y133 L351 F381Q87-C119 VanDerWaalsContact OE1-CA 3.28Å; S115-C119 PolarHBondContact O-N 3.2Å; S115-C119 VanDerWaalsContact O-N 3.12Å; L116-C119 WeakPolarHBondContact O-CB 3.38Å; L116-C119 PolarHBondContact O-N 3.31Å; C119-A121 VanDerWaalsContact C-N 3.33Å; C119-A121 PolarHBondContact O-N 3.04Å; C119-G122 PolarHBondContact O-N 3.45Å; C119-A123 PolarHBondContact O-N 3.07Å; C119-Y133 WeakPolarHBondContact O-CD1 3.49Å; C119-Y133 WeakPolarHBondContact O-CE1 3.44Å; C119-L351 HydrophobicContact CB-CD2 3.46Å; C119-L351 VanDerWaalsContact CB-CD2 3.46Å; C119-L351 WeakPolarHBondContact SG-CD2 3.3Å; C119-F381 HydrophobicContact CB-CE2 4.06Å; C119-F381 HydrophobicContact CB-CZ 4.33Å
120K98.9Very high98.6Very high41 Ų4117 Ų1718%0.17812%0.115CC..Hα-helixtrans-60.2-42175.1-68.1-179.7-171.9-173.80111.7F31 R32 L116 A117 V118 A123 A124 L130 D379F31-K120 HydrophobicContact CB-CB 4.05Å; F31-K120 HydrophobicContact CD1-CB 4.19Å; F31-K120 HydrophobicContact CG-CB 4.49Å; R32-K120 WeakPolarHBondContact O-CD 3.36Å; R32-K120 WeakPolarHBondContact O-CE 3.23Å; R32-K120 PolarHBondContact O-NZ 3.05Å; L116-K120 WeakPolarHBondContact O-CG 3.47Å; L116-K120 PolarHBondContact O-N 3.27Å; A117-K120 PolarHBondContact O-N 3.27Å; V118-K120 VanDerWaalsContact C-N 3.34Å; V118-K120 PolarHBondContact O-N 3.38Å; K120-A123 PolarHBondContact O-N 3.09Å; K120-A124 PolarHBondContact O-N 2.96Å; K120-L130 HydrophobicContact CG-CD1 4.34Å; K120-L130 HydrophobicContact CG-CD2 4.04Å; K120-D379 IonicContact NZ-OD1 3.49Å; K120-D379 PolarHBondContact NZ-OD1 3.17Å; K120-D379 IonicContact NZ-OD2 2.77Å; K120-D379 PolarHBondContact NZ-OD2 3.35Å
121A98.8Very high98.6Very high0 Ų017.3 Ų17.30%012%0.116CC..Hα-helixtrans-67-38.1174.800000112.8L24 T26 F31 V84 A117 V118 C119 A124 E125L24-A121 HydrophobicContact CD2-CB 3.76Å; T26-A121 HydrophobicContact CG2-CB 4.06Å; F31-A121 HydrophobicContact CB-CB 4.2Å; F31-A121 HydrophobicContact CD1-CB 4.3Å; F31-A121 HydrophobicContact CD2-CB 3.36Å; F31-A121 HydrophobicContact CE2-CB 3.78Å; F31-A121 HydrophobicContact CG-CB 3.66Å; F31-A121 HydrophobicContact CZ-CB 4.4Å; V84-A121 HydrophobicContact CB-CB 4.18Å; V84-A121 HydrophobicContact CG1-CB 4.23Å; V84-A121 HydrophobicContact CG2-CB 4.23Å; A117-A121 PolarHBondContact O-N 2.56Å; V118-A121 CarbonylContact O-C 3.54Å; V118-A121 WeakPolarHBondContact O-CB 3.46Å; V118-A121 PolarHBondContact O-N 3.37Å; V118-A121 VanDerWaalsContact O-N 3.16Å; C119-A121 VanDerWaalsContact C-N 3.33Å; C119-A121 PolarHBondContact O-N 3.04Å; A121-A124 PolarHBondContact O-N 3Å; A121-E125 WeakPolarHBondContact O-CB 3.43Å; A121-E125 PolarHBondContact O-N 2.87Å
122G98.6Very high98.6Very high0 Ų020.6 Ų20.60%013%0.129CC..Hα-helixtrans-61-42.317500000112.5V118 C119 E125 A126V118-G122 PolarHBondContact O-N 3.03Å; C119-G122 PolarHBondContact O-N 3.45Å; G122-E125 PolarHBondContact O-N 2.81Å; G122-A126 WeakPolarHBondContact O-CB 3.19Å; G122-A126 PolarHBondContact O-N 3.26Å
123A98.7Very high98.6Very high4 Ų420.9 Ų20.93%0.03313%0.13CC..Hα-helixtrans-60.9-47.6175.300000112C119 K120 E125 A126 G127 L128 L130 Y133C119-A123 PolarHBondContact O-N 3.07Å; K120-A123 PolarHBondContact O-N 3.09Å; A123-E125 PolarHBondContact O-N 3.34Å; A123-A126 CarbonylContact O-C 3.56Å; A123-A126 PolarHBondContact O-N 3.03Å; A123-G127 PolarHBondContact O-N 2.89Å; A123-L128 CarbonylContact C-O 3.37Å; A123-L128 PolarHBondContact O-N 3.13Å; A123-L130 HydrophobicContact CB-CB 4.47Å; A123-L130 HydrophobicContact CB-CD1 4.11Å; A123-Y133 HydrophobicContact CB-CD1 3.83Å; A123-Y133 HydrophobicContact CB-CG 3.75Å
124A98.5Very high98.6Very high34 Ų3420.9 Ų20.928%0.28113%0.13SC..Hα-helixtrans-66.9-34.2178.200000113.4K28 F31 K120 A121 G127K28-A124 HydrophobicContact CB-CB 4.5Å; F31-A124 HydrophobicContact CD1-CB 4.43Å; F31-A124 HydrophobicContact CE1-CB 3.29Å; F31-A124 HydrophobicContact CZ-CB 3.46Å; F31-A124 VanDerWaalsContact CZ-CB 3.46Å; K120-A124 PolarHBondContact O-N 2.96Å; A121-A124 PolarHBondContact O-N 3Å; A124-G127 PolarHBondContact O-N 3.48Å
125E98Very high98.6Very high58 Ų5821 Ų2127%0.27113%0.131SC..Hα-helixtrans-65.6-40172176.767.1162.200111.6M1 V84 T85 A121 G122 A123 G127M1-E125 VanDerWaalsContact CB-CD 3.41Å; M1-E125 HydrophobicContact CB-CG 4.22Å; M1-E125 WeakPolarHBondContact CB-OE1 3.26Å; M1-E125 WeakPolarHBondContact CB-OE2 3.46Å; M1-E125 WeakPolarHBondContact CE-OE2 3.37Å; M1-E125 PolarHBondContact N-OE1 2.95Å; V84-E125 HydrophobicContact CG2-CB 4.14Å; V84-E125 HydrophobicContact CG2-CG 4.48Å; T85-E125 HydrophobicContact CG2-CB 4Å; T85-E125 HydrophobicContact CG2-CG 3.58Å; A121-E125 WeakPolarHBondContact O-CB 3.43Å; A121-E125 PolarHBondContact O-N 2.87Å; G122-E125 PolarHBondContact O-N 2.81Å; A123-E125 PolarHBondContact O-N 3.34Å; E125-G127 PolarHBondContact O-N 3.3Å
126A97.4Very high98.5Very high35 Ų3528.4 Ų28.429%0.28916%0.159SC..Hα-helixtrans-74.9-9.5176.900000113.8G122 A123 L128 Y133G122-A126 WeakPolarHBondContact O-CB 3.19Å; G122-A126 PolarHBondContact O-N 3.26Å; A123-A126 CarbonylContact O-C 3.56Å; A123-A126 PolarHBondContact O-N 3.03Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 HydrophobicContact CB-CD1 3.97Å; A126-L128 HydrophobicContact CB-CG 4.05Å; A126-Y133 HydrophobicContact CB-CD2 3.93Å; A126-Y133 HydrophobicContact CB-CE2 4.18Å
127G97.6Very high98.5Very high68 Ų6830.5 Ų30.570%0.70117%0.17SC*.THydrogen-bonded Turntrans66.731.7-174.900000113.1A123 A124 E125A123-G127 PolarHBondContact O-N 2.89Å; A124-G127 PolarHBondContact O-N 3.48Å; E125-G127 PolarHBondContact O-N 3.3Å
128L98.2Very high98.5Very high44 Ų4430.8 Ų30.823%0.2317%0.172CC..  trans-117.8150.7-177.5-62.1174000111.5A123 A126 R132 Y133 R136A123-L128 CarbonylContact C-O 3.37Å; A123-L128 PolarHBondContact O-N 3.13Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 HydrophobicContact CB-CD1 3.97Å; A126-L128 HydrophobicContact CB-CG 4.05Å; L128-R132 HydrophobicContact CB-CB 4.27Å; L128-Y133 HydrophobicContact CD1-CD2 4.31Å; L128-R136 VanDerWaalsContact CD1-CZ 3.49Å
129P98.5Very high98.4Very high43 Ų4333.7 Ų33.728%0.27920%0.202SC..  trans-55.9150.5157.9-2031.8000110.9Y131 R132 Y133 E417P129-Y131 HydrophobicContact CB-CD1 3.67Å; P129-Y131 HydrophobicContact CB-CE1 3.23Å; P129-Y131 HydrophobicContact CG-CE1 3.95Å; P129-Y131 PolarHBondContact O-N 3.27Å; P129-R132 HydrophobicContact CG-CG 4.38Å; P129-R132 PolarHBondContact O-N 3.44Å; P129-R132 VanDerWaalsContact O-N 3.16Å; P129-Y133 PolarHBondContact O-N 3.01Å; P129-E417 WeakPolarHBondContact CG-OE1 3.45Å
130L98.9Very high98.2Very high25 Ų2536.2 Ų36.213%0.13121%0.214CC..Hα-helixtrans-60.5-44.7-174.7176.763.6000112K120 A123 R132 Y133 I134 F381 D384K120-L130 HydrophobicContact CG-CD1 4.34Å; K120-L130 HydrophobicContact CG-CD2 4.04Å; A123-L130 HydrophobicContact CB-CB 4.47Å; A123-L130 HydrophobicContact CB-CD1 4.11Å; L130-R132 VanDerWaalsContact C-N 3.32Å; L130-R132 PolarHBondContact O-N 2.91Å; L130-Y133 PolarHBondContact O-N 3.19Å; L130-Y133 VanDerWaalsContact O-N 3.11Å; L130-I134 HydrophobicContact CD1-CD1 4.03Å; L130-I134 HydrophobicContact CD1-CG1 4.16Å; L130-I134 HydrophobicContact CG-CD1 3.89Å; L130-I134 HydrophobicContact CG-CG1 4.42Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.41Å; L130-F381 HydrophobicContact CD1-CE2 4.3Å; L130-F381 HydrophobicContact CD2-CD2 3.92Å; L130-F381 HydrophobicContact CD2-CE2 4.11Å; L130-D384 HydrophobicContact CB-CB 4.1Å; L130-D384 WeakPolarHBondContact CB-OD1 3.34Å; L130-D384 HydrophobicContact CD2-CB 3.76Å; L130-D384 HydrophobicContact CG-CB 3.77Å
131Y98.8Very high98Very high7 Ų743.1 Ų43.13%0.02725%0.247CC..Hα-helixtrans-58.6-37.8176.569-90.7000113.5P129 A135 V143 D384 V387 G388 I414 E417 L418P129-Y131 HydrophobicContact CB-CD1 3.67Å; P129-Y131 HydrophobicContact CB-CE1 3.23Å; P129-Y131 HydrophobicContact CG-CE1 3.95Å; P129-Y131 PolarHBondContact O-N 3.27Å; Y131-A135 WeakPolarHBondContact O-CB 3.39Å; Y131-A135 PolarHBondContact O-N 3.04Å; Y131-V143 HydrophobicContact CD2-CG1 4.29Å; Y131-V143 HydrophobicContact CD2-CG2 4.42Å; Y131-V143 HydrophobicContact CE2-CG2 4.39Å; Y131-D384 WeakPolarHBondContact CB-O 3.49Å; Y131-D384 PolarHBondContact N-OD1 2.92Å; Y131-D384 VanDerWaalsContact N-OD1 3.07Å; Y131-V387 HydrophobicContact CD2-CG1 3.81Å; Y131-V387 HydrophobicContact CG-CG1 4.14Å; Y131-G388 VanDerWaalsContact O-CA 3.29Å; Y131-G388 WeakPolarHBondContact O-CA 3.27Å; Y131-I414 HydrophobicContact CD1-CD1 4.1Å; Y131-I414 HydrophobicContact CD1-CG1 3.84Å; Y131-I414 HydrophobicContact CD1-CG2 3.93Å; Y131-I414 HydrophobicContact CD2-CG2 4.25Å; Y131-I414 HydrophobicContact CE1-CG1 4.18Å; Y131-I414 HydrophobicContact CE1-CG2 3.99Å; Y131-I414 HydrophobicContact CE2-CG2 4.29Å; Y131-I414 HydrophobicContact CG-CD1 4.47Å; Y131-I414 HydrophobicContact CG-CG2 4.09Å; Y131-E417 WeakPolarHBondContact CE1-OE2 3.19Å; Y131-E417 VanDerWaalsContact OH-CD 3.27Å; Y131-E417 PolarHBondContact OH-OE1 2.77Å; Y131-L418 HydrophobicContact CE2-CD2 3.92Å; Y131-L418 HydrophobicContact CE2-CG 4.41Å
132R98.6Very high97.8Very high70 Ų7047.4 Ų47.426%0.26427%0.269SS..Hα-helixtrans-69.8-37.6174.5-71.2-57.8-174.7-170.3-2.3112.2L128 P129 L130 A135 R136 V143L128-R132 HydrophobicContact CB-CB 4.27Å; P129-R132 HydrophobicContact CG-CG 4.38Å; P129-R132 PolarHBondContact O-N 3.44Å; P129-R132 VanDerWaalsContact O-N 3.16Å; L130-R132 VanDerWaalsContact C-N 3.32Å; L130-R132 PolarHBondContact O-N 2.91Å; R132-A135 PolarHBondContact O-N 3.22Å; R132-R136 PolarHBondContact O-N 3.37Å; R132-V143 VanDerWaalsContact NH1-CG1 3.35Å; R132-V143 VanDerWaalsContact NH1-CG2 3.26Å
133Y98.7Very high97.8Very high6 Ų647.8 Ų47.82%0.02427%0.272CS..Hα-helixtrans-66.6-41.5176-177.4-110.6000111.4T85 C119 A123 A126 L128 P129 L130 R136 L137T85-Y133 VanDerWaalsContact CA-OH 3.29Å; T85-Y133 WeakPolarHBondContact CA-OH 3.49Å; T85-Y133 PolarHBondContact O-OH 3Å; C119-Y133 WeakPolarHBondContact O-CD1 3.49Å; C119-Y133 WeakPolarHBondContact O-CE1 3.44Å; A123-Y133 HydrophobicContact CB-CD1 3.83Å; A123-Y133 HydrophobicContact CB-CG 3.75Å; A126-Y133 HydrophobicContact CB-CD2 3.93Å; A126-Y133 HydrophobicContact CB-CE2 4.18Å; L128-Y133 HydrophobicContact CD1-CD2 4.31Å; P129-Y133 PolarHBondContact O-N 3.01Å; L130-Y133 PolarHBondContact O-N 3.19Å; L130-Y133 VanDerWaalsContact O-N 3.11Å; Y133-R136 WeakPolarHBondContact O-CB 3.17Å; Y133-R136 PolarHBondContact O-N 3.08Å; Y133-L137 HydrophobicContact CD1-CD1 4.08Å; Y133-L137 HydrophobicContact CE1-CD1 3.65Å; Y133-L137 HydrophobicContact CE1-CG 4.17Å; Y133-L137 WeakPolarHBondContact O-CG 3.2Å; Y133-L137 PolarHBondContact O-N 3.19Å
134I98.8Very high97.8Very high0 Ų047.7 Ų47.70%027%0.271CS..Hα-helixtrans-62.2-44.5173.1-67.8171.2000110.8L130 R136 L137 A138 F381 D384 L385 L389L130-I134 HydrophobicContact CD1-CD1 4.03Å; L130-I134 HydrophobicContact CD1-CG1 4.16Å; L130-I134 HydrophobicContact CG-CD1 3.89Å; L130-I134 HydrophobicContact CG-CG1 4.42Å; L130-I134 WeakPolarHBondContact O-CG1 3.4Å; L130-I134 PolarHBondContact O-N 3.41Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 2.95Å; I134-L137 WeakPolarHBondContact O-CB 3.34Å; I134-L137 PolarHBondContact O-N 3.04Å; I134-L137 VanDerWaalsContact O-N 3.09Å; I134-A138 WeakPolarHBondContact O-CB 3.31Å; I134-A138 PolarHBondContact O-N 3.36Å; I134-F381 HydrophobicContact CD1-CE1 4.23Å; I134-F381 HydrophobicContact CD1-CE2 4.31Å; I134-F381 HydrophobicContact CD1-CZ 3.83Å; I134-D384 HydrophobicContact CD1-CB 4.21Å; I134-L385 HydrophobicContact CD1-CB 4.36Å; I134-L385 HydrophobicContact CD1-CD1 4.25Å; I134-L385 HydrophobicContact CG2-CD1 3.89Å; I134-L389 HydrophobicContact CG2-CD2 4.43Å; I134-L389 HydrophobicContact CG2-CG 4.37Å
135A98.6Very high97.8Very high2 Ų246.1 Ų46.12%0.01726%0.258CS..Hα-helixtrans-55-44.7174.200000112Y131 R132 L137 A138 G139 H140 V143 G388Y131-A135 WeakPolarHBondContact O-CB 3.39Å; Y131-A135 PolarHBondContact O-N 3.04Å; R132-A135 PolarHBondContact O-N 3.22Å; A135-L137 PolarHBondContact O-N 3.26Å; A135-A138 CarbonylContact O-C 3.56Å; A135-A138 PolarHBondContact O-N 3.39Å; A135-G139 PolarHBondContact O-N 2.97Å; A135-H140 CarbonylContact C-O 3.6Å; A135-H140 HydrophobicContact CB-CB 4.22Å; A135-H140 PolarHBondContact O-N 2.88Å; A135-V143 HydrophobicContact CB-CG1 3.83Å; A135-G388 WeakPolarHBondContact CA-O 3.38Å
136R98.1Very high97.8Very high155 Ų15543.3 Ų43.359%0.58525%0.245SC*.Hα-helixtrans-60.9-43.8174.6-177.3-179.7-65.4-177.5-1.3112.8L128 R132 Y133 I134 A138 G139L128-R136 VanDerWaalsContact CD1-CZ 3.49Å; R132-R136 PolarHBondContact O-N 3.37Å; Y133-R136 WeakPolarHBondContact O-CB 3.17Å; Y133-R136 PolarHBondContact O-N 3.08Å; I134-R136 VanDerWaalsContact C-N 3.28Å; I134-R136 PolarHBondContact O-N 2.95Å; R136-A138 VanDerWaalsContact C-N 3.28Å; R136-A138 PolarHBondContact O-N 2.72Å; R136-G139 PolarHBondContact O-N 2.85Å
137L98.4Very high97.9Very high48 Ų4841.7 Ų41.725%0.25123%0.231SC..Hα-helixtrans-63.4-36.6176.1-67.3177.4000111.7Q87 Y133 I134 A135 G139 L351 I355Q87-L137 HydrophobicContact CB-CD1 4.04Å; Q87-L137 HydrophobicContact CB-CD2 4.1Å; Q87-L137 HydrophobicContact CG-CD1 4.2Å; Y133-L137 HydrophobicContact CD1-CD1 4.08Å; Y133-L137 HydrophobicContact CE1-CD1 3.65Å; Y133-L137 HydrophobicContact CE1-CG 4.17Å; Y133-L137 WeakPolarHBondContact O-CG 3.2Å; Y133-L137 PolarHBondContact O-N 3.19Å; I134-L137 WeakPolarHBondContact O-CB 3.34Å; I134-L137 PolarHBondContact O-N 3.04Å; I134-L137 VanDerWaalsContact O-N 3.09Å; A135-L137 PolarHBondContact O-N 3.26Å; L137-G139 VanDerWaalsContact C-N 3.32Å; L137-L351 HydrophobicContact CD1-CD2 4.35Å; L137-I355 HydrophobicContact CB-CD1 3.9Å; L137-I355 HydrophobicContact CD1-CD1 4.41Å
138A98.1Very high98Very high6 Ų638.4 Ų38.45%0.0520%0.197CC..Hα-helixtrans-76.7-16.2176.300000113.2I134 A135 R136 I355 K359 L389I134-A138 WeakPolarHBondContact O-CB 3.31Å; I134-A138 PolarHBondContact O-N 3.36Å; A135-A138 CarbonylContact O-C 3.56Å; A135-A138 PolarHBondContact O-N 3.39Å; R136-A138 VanDerWaalsContact C-N 3.28Å; R136-A138 PolarHBondContact O-N 2.72Å; A138-I355 HydrophobicContact CB-CG2 4.24Å; A138-K359 WeakPolarHBondContact O-CE 3.35Å; A138-K359 PolarHBondContact O-NZ 2.93Å; A138-L389 HydrophobicContact CB-CD2 3.83Å
139G97Very high98Very high61 Ų6136.4 Ų36.463%0.62919%0.187SC*.THydrogen-bonded Turntrans81.425-177.100000113.5A135 R136 L137A135-G139 PolarHBondContact O-N 2.97Å; R136-G139 PolarHBondContact O-N 2.85Å; L137-G139 VanDerWaalsContact C-N 3.32Å
140H96.1Very high98Very high54 Ų5434.3 Ų34.325%0.2517%0.174CC..  trans-96.5136.5172-61.3-54.8000110.8A135 G388 L389A135-H140 CarbonylContact C-O 3.6Å; A135-H140 HydrophobicContact CB-CB 4.22Å; A135-H140 PolarHBondContact O-N 2.88Å; H140-G388 PolarHBondContact CD2-O 2.79Å; H140-L389 PolarHBondContact NE2-O 2.88Å
141E93.5Very high98Very high185 Ų18533.2 Ų33.286%0.86417%0.168SC*.SBendtrans-87.2-44.1173.5-62.6-173.3167.300111.1
142D95Very high98Very high90 Ų9032.9 Ų32.948%0.48117%0.166SC..SBendtrans-94.4170.5175.6-73.2-47.6000112.2C390D142-C390 PolarHBondContact O-SG 3.19Å
143V98Very high98Very high8 Ų829.5 Ų29.55%0.04815%0.154CC..  trans-134.5159.1175-63.30000110.6Y131 R132 A135 V387 C390 L418Y131-V143 HydrophobicContact CD2-CG1 4.29Å; Y131-V143 HydrophobicContact CD2-CG2 4.42Å; Y131-V143 HydrophobicContact CE2-CG2 4.39Å; R132-V143 VanDerWaalsContact NH1-CG1 3.35Å; R132-V143 VanDerWaalsContact NH1-CG2 3.26Å; A135-V143 HydrophobicContact CB-CG1 3.83Å; V143-V387 HydrophobicContact CB-CG1 3.67Å; V143-V387 HydrophobicContact CG1-CG1 4.2Å; V143-V387 HydrophobicContact CG2-CG1 3.9Å; V143-C390 VanDerWaalsContact CA-SG 3.6Å; V143-L418 HydrophobicContact CG2-CD1 3.85Å; V143-L418 HydrophobicContact CG2-CD2 3.81Å
144I98.5Very high97.9Very high3 Ų329.2 Ų29.22%0.01515%0.153CC..  trans-135.1140.9177.6-155.5170.7000112.5C390 K423 A425 P432 V434I144-C390 HydrophobicContact CG2-CB 4.25Å; I144-K423 HydrophobicContact CD1-CB 4.49Å; I144-K423 HydrophobicContact CG1-CB 4.08Å; I144-K423 WeakPolarHBondContact CG1-O 3.24Å; I144-A425 HydrophobicContact CD1-CB 3.99Å; I144-A425 HydrophobicContact CG1-CB 4.46Å; I144-P432 HydrophobicContact CD1-CB 3.33Å; I144-P432 HydrophobicContact CG1-CB 4.38Å; I144-P432 HydrophobicContact CG2-CB 3.84Å; I144-P432 HydrophobicContact CG2-CG 4.12Å; I144-V434 HydrophobicContact CB-CG1 4.41Å; I144-V434 HydrophobicContact CG2-CG1 4.49Å
145M98.8Very high97.8Very high0 Ų029.2 Ų29.20%015%0.153CC..BIsolated β-bridgetrans-77.2131.9172.5-62.3-54.1-59.300110.1F178 V387 L411 I414 E415 L418 A422 K423 Y424 A425M145-F178 HydrophobicContact CB-CB 4.3Å; M145-F178 HydrophobicContact CE-CB 4.12Å; M145-F178 HydrophobicContact CE-CD1 4.44Å; M145-F178 HydrophobicContact CE-CD2 4.49Å; M145-F178 HydrophobicContact CE-CG 4.08Å; M145-V387 HydrophobicContact CE-CG2 4.23Å; M145-V387 HydrophobicContact SD-CG2 3.93Å; M145-L411 HydrophobicContact CE-CB 3.97Å; M145-L411 HydrophobicContact CE-CD2 3.87Å; M145-L411 WeakPolarHBondContact CE-O 3.46Å; M145-I414 HydrophobicContact SD-CG2 3.97Å; M145-E415 HydrophobicContact CE-CB 3.99Å; M145-E415 HydrophobicContact CG-CB 4.45Å; M145-E415 HydrophobicContact SD-CB 4.29Å; M145-L418 HydrophobicContact CG-CD1 4.46Å; M145-L418 HydrophobicContact SD-CD1 3.87Å; M145-A422 HydrophobicContact CG-CB 4.43Å; M145-K423 WeakPolarHBondContact CB-O 3.45Å; M145-K423 PolarHBondContact N-O 2.79Å; M145-Y424 HydrophobicContact CB-CD2 4.39Å; M145-A425 PolarHBondContact O-N 3.39Å
146P98.9Very high97.6Very high0 Ų029.2 Ų29.20%015%0.153CC..PPolyproline II helixtrans-82.5158.3-174.736-39.2000112.6P148 F178 V386 G392 I394 L411 Y424P146-P148 WeakPolarHBondContact O-CD 3.38Å; P146-F178 WeakPolarHBondContact O-CD2 3.36Å; P146-V386 HydrophobicContact CB-CG1 4.37Å; P146-V386 HydrophobicContact CB-CG2 3.64Å; P146-V386 HydrophobicContact CG-CG1 3.73Å; P146-V386 HydrophobicContact CG-CG2 3.96Å; P146-G392 CarbonylContact C-O 3.57Å; P146-G392 WeakPolarHBondContact CA-O 3.5Å; P146-I394 HydrophobicContact CB-CB 4.35Å; P146-I394 HydrophobicContact CB-CG2 3.94Å; P146-I394 HydrophobicContact CG-CB 4.32Å; P146-I394 HydrophobicContact CG-CG2 3.62Å; P146-L411 HydrophobicContact CG-CD1 4.04Å; P146-L411 HydrophobicContact CG-CD2 4.06Å; P146-Y424 WeakPolarHBondContact O-CE2 3.2Å
147V98.9Very high97.3Very high0 Ų024.1 Ų24.10%014%0.141CC..EExtended strand (participates in β ladder)trans-73.3124.8159179.20000109L171 T173 G392 Q393 I394 Y424 A425 G426 F429V147-L171 HydrophobicContact CG1-CB 4.02Å; V147-L171 HydrophobicContact CG1-CD2 4.46Å; V147-T173 HydrophobicContact CG1-CG2 4.05Å; V147-T173 HydrophobicContact CG2-CG2 4.45Å; V147-G392 PolarHBondContact N-O 2.83Å; V147-Q393 WeakPolarHBondContact O-CA 3.47Å; V147-I394 PolarHBondContact O-N 3.11Å; V147-Y424 HydrophobicContact CG2-CE1 4.27Å; V147-Y424 HydrophobicContact CG2-CE2 4.12Å; V147-A425 HydrophobicContact CG2-CB 4.41Å; V147-G426 WeakPolarHBondContact CG2-O 3.32Å; V147-F429 HydrophobicContact CB-CB 4Å; V147-F429 HydrophobicContact CG2-CB 3.58Å
148P98.9Very high96.7Very high0 Ų022.2 Ų22.20%013%0.131CC..EExtended strand (participates in β ladder)trans-75.5127.6171.230.2-33000110.9P146 F150 P172 F178 A181 Y408P146-P148 WeakPolarHBondContact O-CD 3.38Å; P148-F150 HydrophobicContact CB-CD1 4.39Å; P148-F150 HydrophobicContact CB-CD2 4.26Å; P148-F150 HydrophobicContact CB-CE1 3.84Å; P148-F150 HydrophobicContact CB-CE2 3.72Å; P148-F150 HydrophobicContact CB-CZ 3.47Å; P148-F150 VanDerWaalsContact CB-CZ 3.47Å; P148-F150 HydrophobicContact CG-CD2 4.26Å; P148-F150 HydrophobicContact CG-CE1 4.24Å; P148-F150 HydrophobicContact CG-CE2 3.38Å; P148-F150 HydrophobicContact CG-CZ 3.36Å; P148-P172 HydrophobicContact CG-CG 3.99Å; P148-P172 VanDerWaalsContact O-CD 3.25Å; P148-P172 WeakPolarHBondContact O-CD 3.29Å; P148-F178 HydrophobicContact CB-CE2 4.1Å; P148-F178 HydrophobicContact CG-CD2 4.49Å; P148-F178 HydrophobicContact CG-CE2 3.95Å; P148-A181 HydrophobicContact CG-CB 4.04Å; P148-Y408 HydrophobicContact CB-CD1 4.27Å; P148-Y408 HydrophobicContact CB-CE1 3.63Å
149A98.9Very high96.3Very high1 Ų122.6 Ų22.61%0.00813%0.133CC..EExtended strand (participates in β ladder)trans-94.897.8166.900000108.9N151 M169 L171 M369 I394 K395A149-N151 PolarHBondContact O-N 3.44Å; A149-M169 HydrophobicContact CB-CB 4.37Å; A149-M169 HydrophobicContact CB-SD 3.78Å; A149-L171 HydrophobicContact CB-CD1 4.31Å; A149-L171 HydrophobicContact CB-CD2 4.13Å; A149-L171 HydrophobicContact CB-CG 3.91Å; A149-M369 HydrophobicContact CB-CE 4.47Å; A149-I394 PolarHBondContact N-O 3.18Å; A149-K395 HydrophobicContact CB-CB 4.06Å
150F98.9Very high96Very high0 Ų024.1 Ų24.10%015%0.15CC..EExtended strand (participates in β ladder)trans-84.5113.7-176.3-60-74.8000110.7P148 V152 M169 I170 P172 M182 G397 P399 Y408P148-F150 HydrophobicContact CB-CD1 4.39Å; P148-F150 HydrophobicContact CB-CD2 4.26Å; P148-F150 HydrophobicContact CB-CE1 3.84Å; P148-F150 HydrophobicContact CB-CE2 3.72Å; P148-F150 HydrophobicContact CB-CZ 3.47Å; P148-F150 VanDerWaalsContact CB-CZ 3.47Å; P148-F150 HydrophobicContact CG-CD2 4.26Å; P148-F150 HydrophobicContact CG-CE1 4.24Å; P148-F150 HydrophobicContact CG-CE2 3.38Å; P148-F150 HydrophobicContact CG-CZ 3.36Å; F150-V152 HydrophobicContact CB-CG1 3.95Å; F150-V152 PolarHBondContact O-N 3.29Å; F150-V152 VanDerWaalsContact O-N 3.12Å; F150-M169 CarbonylContact O-C 3.57Å; F150-M169 WeakPolarHBondContact O-CA 3.37Å; F150-I170 HydrophobicContact CB-CG1 3.84Å; F150-I170 HydrophobicContact CD2-CD1 4.49Å; F150-I170 HydrophobicContact CD2-CG1 4.12Å; F150-I170 HydrophobicContact CG-CG1 4.48Å; F150-I170 PolarHBondContact N-O 3.41Å; F150-I170 PolarHBondContact O-N 3.49Å; F150-P172 HydrophobicContact CE2-CG 4.08Å; F150-M182 HydrophobicContact CE1-CE 4.39Å; F150-M182 HydrophobicContact CE1-SD 3.67Å; F150-M182 HydrophobicContact CZ-SD 3.5Å; F150-M182 VanDerWaalsContact CZ-SD 3.5Å; F150-G397 WeakPolarHBondContact CA-O 3.49Å; F150-P399 HydrophobicContact CD1-CB 4.35Å; F150-P399 HydrophobicContact CD1-CG 4.42Å; F150-P399 HydrophobicContact CE1-CB 4.41Å; F150-Y408 HydrophobicContact CD1-CD2 4.48Å; F150-Y408 HydrophobicContact CD1-CE1 4.06Å; F150-Y408 AromaticContact CD1-CE2 3.7Å; F150-Y408 HydrophobicContact CD1-CE2 3.7Å; F150-Y408 AromaticContact CD1-CZ 3.45Å; F150-Y408 VanDerWaalsContact CD1-CZ 3.45Å; F150-Y408 WeakPolarHBondContact CD1-OH 3.5Å; F150-Y408 HydrophobicContact CE1-CD1 4.03Å; F150-Y408 HydrophobicContact CE1-CD2 4.07Å; F150-Y408 AromaticContact CE1-CE1 3.64Å; F150-Y408 HydrophobicContact CE1-CE1 3.64Å; F150-Y408 AromaticContact CE1-CE2 3.7Å; F150-Y408 HydrophobicContact CE1-CE2 3.7Å; F150-Y408 HydrophobicContact CE1-CG 4.23Å; F150-Y408 AromaticContact CE1-CZ 3.46Å; F150-Y408 VanDerWaalsContact CE1-CZ 3.46Å; F150-Y408 HydrophobicContact CZ-CE1 4.46Å
151N98.6Very high95.8Very high1 Ų122 Ų221%0.00514%0.14CC..EExtended strand (participates in β ladder)trans-72.599.7174-174.67.2000110.8A149 I153 N154 E167 F168 M169 E210 G212 G397 A398A149-N151 PolarHBondContact O-N 3.44Å; N151-I153 PolarHBondContact OD1-O 2.98Å; N151-I153 VanDerWaalsContact OD1-O 3.07Å; N151-N154 PolarHBondContact ND2-ND2 2.93Å; N151-E167 VanDerWaalsContact ND2-CG 3.32Å; N151-E167 WeakPolarHBondContact ND2-CG 2.82Å; N151-E167 WeakPolarHBondContact OD1-CA 3.37Å; N151-E167 WeakPolarHBondContact OD1-CB 3.37Å; N151-F168 PolarHBondContact OD1-N 3.25Å; N151-M169 HydrophobicContact CB-CG 4.07Å; N151-E210 PolarHBondContact ND2-OE2 2.84Å; N151-G212 WeakPolarHBondContact O-CA 3.44Å; N151-G397 PolarHBondContact N-O 2.8Å; N151-A398 WeakPolarHBondContact O-CA 3.43Å; N151-A398 WeakPolarHBondContact O-CB 3.39Å; N151-A398 PolarHBondContact O-N 3.22Å
152V98.7Very high95.8Very high0 Ų018 Ų180%012%0.12CC..EExtended strand (participates in β ladder)trans-107.3-15.1-168.3-69.20000114F150 F168 I170 Y189 L192 G212 F213 L227F150-V152 HydrophobicContact CB-CG1 3.95Å; F150-V152 PolarHBondContact O-N 3.29Å; F150-V152 VanDerWaalsContact O-N 3.12Å; V152-F168 WeakPolarHBondContact CG2-O 3.48Å; V152-F168 PolarHBondContact N-O 3.1Å; V152-I170 HydrophobicContact CG1-CD1 3.94Å; V152-I170 HydrophobicContact CG1-CG1 3.92Å; V152-I170 HydrophobicContact CG2-CG1 4.2Å; V152-I170 HydrophobicContact CG2-CG2 3.92Å; V152-Y189 HydrophobicContact CB-CD2 4.06Å; V152-Y189 HydrophobicContact CG1-CD2 3.76Å; V152-Y189 HydrophobicContact CG1-CG 4.48Å; V152-L192 HydrophobicContact CB-CD2 3.78Å; V152-L192 HydrophobicContact CG2-CD2 3.89Å; V152-G212 CarbonylContact O-C 3.54Å; V152-G212 WeakPolarHBondContact O-CA 3.17Å; V152-F213 PolarHBondContact O-N 3.24Å; V152-L227 HydrophobicContact CG2-CD1 4.43Å; V152-L227 HydrophobicContact CG2-CD2 3.45Å; V152-L227 VanDerWaalsContact CG2-CD2 3.45Å
153I98.5Very high95.8Very high0 Ų013.8 Ų13.80%010%0.097CC..EExtended strand (participates in β ladder)trans-128.7122.6165.3-56174.3000107.9N151 L163 F168 L192 F213 P215 L226 L227N151-I153 PolarHBondContact OD1-O 2.98Å; N151-I153 VanDerWaalsContact OD1-O 3.07Å; I153-L163 HydrophobicContact CG2-CD2 4.01Å; I153-F168 HydrophobicContact CB-CB 4.09Å; I153-F168 HydrophobicContact CB-CD2 4.35Å; I153-F168 HydrophobicContact CB-CG 4.48Å; I153-F168 HydrophobicContact CG2-CD2 4.38Å; I153-F168 PolarHBondContact N-O 2.84Å; I153-F168 PolarHBondContact O-N 3.32Å; I153-L192 HydrophobicContact CD1-CD1 4.25Å; I153-L192 HydrophobicContact CD1-CD2 4.34Å; I153-L192 HydrophobicContact CG1-CD2 3.8Å; I153-F213 CarbonylContact C-O 3.57Å; I153-F213 WeakPolarHBondContact CA-O 3.29Å; I153-P215 HydrophobicContact CG2-CG 4.15Å; I153-L226 HydrophobicContact CD1-CB 4.21Å; I153-L226 HydrophobicContact CD1-CD1 4.49Å; I153-L227 HydrophobicContact CD1-CD2 3.68Å; I153-L227 HydrophobicContact CD1-CG 4Å; I153-L227 HydrophobicContact CG1-CD2 3.96Å
154N97.1Very high95.8Very high0 Ų013.4 Ų13.40%010%0.095CC..EExtended strand (participates in β ladder)trans-96.8135.3175.6-73.999.6000110.7N151 H158 A159 N161 G212 F213N151-N154 PolarHBondContact ND2-ND2 2.93Å; N154-H158 HydrophobicContact CB-CB 4.45Å; N154-A159 HydrophobicContact CB-CB 3.9Å; N154-A159 WeakPolarHBondContact O-CB 3.36Å; N154-N161 PolarHBondContact O-ND2 2.83Å; N154-G212 WeakPolarHBondContact OD1-CA 3.25Å; N154-G212 PolarHBondContact OD1-N 3.48Å; N154-G212 PolarHBondContact OD1-O 2.88Å; N154-F213 PolarHBondContact N-O 2.89Å
155G95.3Very high95.7Very high0 Ų013.3 Ų13.30%09%0.094CC..  trans-131.7-146.6167.700000110.4S157 H158 A159 M165 Q166G155-S157 PolarHBondContact O-N 2.87Å; G155-H158 PolarHBondContact O-N 2.98Å; G155-H158 VanDerWaalsContact O-N 3.09Å; G155-A159 PolarHBondContact O-N 3.21Å; G155-M165 CarbonylContact C-O 3.58Å; G155-M165 WeakPolarHBondContact CA-O 3.23Å; G155-Q166 PolarHBondContact N-O 3.36Å
156G94.8Very high95.6Very high2 Ų213.6 Ų13.62%0.02110%0.096CC..G310 helixtrans50.3-137.7176.400000112.8H158 L163 A164 M165 K262G156-H158 VanDerWaalsContact C-N 3.27Å; G156-H158 PolarHBondContact O-N 3.13Å; G156-L163 PolarHBondContact N-O 2.99Å; G156-A164 WeakPolarHBondContact CA-O 3.26Å; G156-A164 PolarHBondContact N-O 2.86Å; G156-M165 PolarHBondContact N-O 3.47Å; G156-M165 VanDerWaalsContact N-O 3.15Å; G156-K262 PolarHBondContact O-NZ 3.41Å
157S91.9Very high95.6Very high47 Ų4713.8 Ų13.833%0.32910%0.097SC..G310 helixtrans-78.9-6.1178.4-63.50000113.6S40 G155 E250S40-S157 WeakPolarHBondContact OG-CB 3.33Å; G155-S157 PolarHBondContact O-N 2.87Å; S157-E250 PolarHBondContact OG-OE2 3.07Å
158H86.8Confident95.6Very high9 Ų913.8 Ų13.84%0.04210%0.097CC..G310 helixtrans-91.8-5.4-179-66.4174.9000113.9N154 G155 G156 Q166 E167 G208 D209 E210 S374N154-H158 HydrophobicContact CB-CB 4.45Å; G155-H158 PolarHBondContact O-N 2.98Å; G155-H158 VanDerWaalsContact O-N 3.09Å; G156-H158 VanDerWaalsContact C-N 3.27Å; G156-H158 PolarHBondContact O-N 3.13Å; H158-Q166 HydrophobicContact CB-CG 4.36Å; H158-Q166 PolarHBondContact CE1-NE2 3.12Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.35Å; H158-E167 IonicContact CE1-OE1 2.75Å; H158-E167 IonicContact ND1-OE1 2.91Å; H158-G208 WeakPolarHBondContact O-CA 3.27Å; H158-D209 PolarHBondContact O-N 3.23Å; H158-E210 IonicContact CE1-OE1 3.58Å; H158-E210 PolarHBondContact CE1-OE1 3.24Å; H158-E210 VanDerWaalsContact CE1-OE1 3.23Å; H158-E210 IonicContact ND1-OE1 2.75Å; H158-E210 IonicContact ND1-OE2 3.62Å; H158-S374 VanDerWaalsContact NE2-CB 3.31Å; H158-S374 WeakPolarHBondContact NE2-CB 3.37Å; H158-S374 PolarHBondContact NE2-OG 2.96Å
159A89.3Confident95.6Very high13 Ų1313.9 Ų13.911%0.10710%0.097CC..SBendtrans-148.4142.4-176.100000113.9N154 G155 N161 A214 K262N154-A159 HydrophobicContact CB-CB 3.9Å; N154-A159 WeakPolarHBondContact O-CB 3.36Å; G155-A159 PolarHBondContact O-N 3.21Å; A159-N161 PolarHBondContact O-N 3.21Å; A159-A214 HydrophobicContact CB-CB 3.74Å; A159-K262 PolarHBondContact O-NZ 3Å
160G89.8Confident95.6Very high94 Ų9413.9 Ų13.997%0.96910%0.097SC*.SBendtrans-77.645.6174.400000114.5
161N92.6Very high95.6Very high10 Ų1013.9 Ų13.95%0.05310%0.097CC..SBendtrans-119.8-174.6175.961.216000111.3N154 A159 L163 P215 K262N154-N161 PolarHBondContact O-ND2 2.83Å; A159-N161 PolarHBondContact O-N 3.21Å; N161-L163 PolarHBondContact OD1-N 2.77Å; N161-P215 VanDerWaalsContact CB-O 3.29Å; N161-P215 WeakPolarHBondContact CB-O 3.49Å; N161-P215 PolarHBondContact ND2-O 3.46Å; N161-P215 VanDerWaalsContact ND2-O 3.1Å; N161-K262 WeakPolarHBondContact O-CD 3.49Å; N161-K262 WeakPolarHBondContact O-CE 3.21Å; N161-K262 PolarHBondContact O-NZ 2.76Å; N161-K262 PolarHBondContact OD1-NZ 3.15Å
162K94.1Very high95.6Very high101 Ų10113.9 Ų13.944%0.43910%0.097SC..SBendtrans-88.3-16.4178.2-67.7-175.2177-171.70114.7A164 I217 Q218K162-A164 PolarHBondContact O-N 3.43Å; K162-I217 CarbonylContact C-O 3.44Å; K162-Q218 HydrophobicContact CB-CB 4.01Å; K162-Q218 HydrophobicContact CB-CG 4.3Å; K162-Q218 HydrophobicContact CD-CB 4.41Å
163L95.5Very high95.6Very high0 Ų014 Ų140%010%0.098CC..  trans-58.8122-174-170.561.4000110.7I153 G156 N161 F168 I217 N220 K262I153-L163 HydrophobicContact CG2-CD2 4.01Å; G156-L163 PolarHBondContact N-O 2.99Å; N161-L163 PolarHBondContact OD1-N 2.77Å; L163-F168 HydrophobicContact CD1-CE2 4.13Å; L163-F168 HydrophobicContact CD1-CZ 4.04Å; L163-F168 HydrophobicContact CD2-CD2 3.97Å; L163-F168 HydrophobicContact CD2-CE2 3.35Å; L163-F168 HydrophobicContact CD2-CZ 4.06Å; L163-F168 HydrophobicContact CG-CE2 3.85Å; L163-F168 HydrophobicContact CG-CZ 4.28Å; L163-I217 WeakPolarHBondContact CA-O 3.47Å; L163-I217 HydrophobicContact CB-CG1 4.33Å; L163-I217 WeakPolarHBondContact CB-O 3.47Å; L163-I217 HydrophobicContact CD1-CD1 4.15Å; L163-I217 HydrophobicContact CD1-CG1 4.1Å; L163-I217 HydrophobicContact CD2-CD1 3.96Å; L163-I217 HydrophobicContact CD2-CG1 4.08Å; L163-I217 HydrophobicContact CG-CG1 4.42Å; L163-I217 PolarHBondContact N-O 3Å; L163-N220 HydrophobicContact CD1-CB 4.45Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.44Å; L163-K262 VanDerWaalsContact O-CE 3.24Å; L163-K262 WeakPolarHBondContact O-CE 3.25Å; L163-K262 PolarHBondContact O-NZ 3.42Å
164A96.5Very high95.6Very high1 Ų115.2 Ų15.21%0.00811%0.11CC..  trans-75.7-45.3-175.100000113G156 K162 F251 L259 F261G156-A164 WeakPolarHBondContact CA-O 3.26Å; G156-A164 PolarHBondContact N-O 2.86Å; K162-A164 PolarHBondContact O-N 3.43Å; A164-F251 HydrophobicContact CB-CD1 4.29Å; A164-F251 HydrophobicContact CB-CE1 4.34Å; A164-L259 HydrophobicContact CB-CB 4.18Å; A164-L259 HydrophobicContact CB-CD2 4.03Å; A164-L259 WeakPolarHBondContact CB-O 3.12Å; A164-F261 HydrophobicContact CB-CD1 4.29Å; A164-F261 HydrophobicContact CB-CE1 4.34Å
165M97.3Very high95.7Very high0 Ų015.7 Ų15.70%011%0.114CC..SBendtrans-68.4142.9178.5-64.7174.2-176.900110.6G155 G156 F168 N220 M244 C246 M280 Y281 M284G155-M165 CarbonylContact C-O 3.58Å; G155-M165 WeakPolarHBondContact CA-O 3.23Å; G156-M165 PolarHBondContact N-O 3.47Å; G156-M165 VanDerWaalsContact N-O 3.15Å; M165-F168 HydrophobicContact CB-CE2 3.89Å; M165-F168 HydrophobicContact CB-CZ 3.85Å; M165-F168 HydrophobicContact SD-CZ 4.28Å; M165-N220 WeakPolarHBondContact CB-OD1 3.35Å; M165-N220 HydrophobicContact CE-CB 4.12Å; M165-N220 HydrophobicContact CG-CB 4.5Å; M165-N220 VanDerWaalsContact CG-OD1 3.29Å; M165-N220 WeakPolarHBondContact CG-OD1 3.44Å; M165-N220 PolarHBondContact N-OD1 3.08Å; M165-N220 HydrophobicContact SD-CB 3.65Å; M165-M244 HydrophobicContact CE-CE 4.34Å; M165-M244 HydrophobicContact SD-CE 3.18Å; M165-M244 WeakPolarHBondContact SD-CE 3.32Å; M165-C246 HydrophobicContact CG-CB 4.32Å; M165-M280 HydrophobicContact CE-CE 3.31Å; M165-M280 HydrophobicContact CE-SD 4.28Å; M165-Y281 HydrophobicContact CE-CD1 4.32Å; M165-Y281 HydrophobicContact CE-CE1 3.46Å; M165-Y281 VanDerWaalsContact CE-CE1 3.46Å; M165-Y281 HydrophobicContact SD-CE1 4.45Å; M165-M284 HydrophobicContact CE-CE 3.87Å; M165-M284 HydrophobicContact CE-SD 4.17Å; M165-M284 HydrophobicContact SD-CE 4.32Å
166Q97.3Very high95.8Very high6 Ų620.3 Ų20.33%0.02815%0.146CC..  trans-83.4-42.5-164.1-173.5164.8-94.100113.7S40 G155 H158 D245 A247S40-Q166 PolarHBondContact OG-OE1 3.41Å; G155-Q166 PolarHBondContact N-O 3.36Å; H158-Q166 HydrophobicContact CB-CG 4.36Å; H158-Q166 PolarHBondContact CE1-NE2 3.12Å; H158-Q166 WeakPolarHBondContact ND1-CG 3.35Å; Q166-D245 PolarHBondContact N-O 2.9Å; Q166-D245 PolarHBondContact NE2-OD2 3.18Å; Q166-A247 HydrophobicContact CB-CB 3.79Å; Q166-A247 HydrophobicContact CG-CB 4.35Å
167E98.5Very high96Very high4 Ų421.8 Ų21.82%0.01916%0.156CC..EExtended strand (participates in β ladder)trans-136.4132.7-172.4-43.1179.5169.600111N151 H158 M169 M244 D245 K395N151-E167 VanDerWaalsContact ND2-CG 3.32Å; N151-E167 WeakPolarHBondContact ND2-CG 2.82Å; N151-E167 WeakPolarHBondContact OD1-CA 3.37Å; N151-E167 WeakPolarHBondContact OD1-CB 3.37Å; H158-E167 IonicContact CE1-OE1 2.75Å; H158-E167 IonicContact ND1-OE1 2.91Å; E167-M169 HydrophobicContact CB-CE 4.37Å; E167-M169 HydrophobicContact CB-CG 4.34Å; E167-M244 VanDerWaalsContact O-CA 3.31Å; E167-M244 WeakPolarHBondContact O-CA 3.5Å; E167-D245 HydrophobicContact CB-CB 3.79Å; E167-D245 HydrophobicContact CG-CB 3.7Å; E167-D245 PolarHBondContact N-O 3.4Å; E167-D245 PolarHBondContact O-N 3.15Å; E167-K395 IonicContact OE1-NZ 2.71Å; E167-K395 IonicContact OE2-NZ 3.36Å; E167-K395 PolarHBondContact OE2-NZ 3.24Å
168F98.7Very high96.4Very high0 Ų019.5 Ų19.50%014%0.141CC..EExtended strand (participates in β ladder)trans-118.9109.7167.1-59.8-109.4000107.8N151 V152 I153 L163 M165 N220 L224 L227 M244N151-F168 PolarHBondContact OD1-N 3.25Å; V152-F168 WeakPolarHBondContact CG2-O 3.48Å; V152-F168 PolarHBondContact N-O 3.1Å; I153-F168 HydrophobicContact CB-CB 4.09Å; I153-F168 HydrophobicContact CB-CD2 4.35Å; I153-F168 HydrophobicContact CB-CG 4.48Å; I153-F168 HydrophobicContact CG2-CD2 4.38Å; I153-F168 PolarHBondContact N-O 2.84Å; I153-F168 PolarHBondContact O-N 3.32Å; L163-F168 HydrophobicContact CD1-CE2 4.13Å; L163-F168 HydrophobicContact CD1-CZ 4.04Å; L163-F168 HydrophobicContact CD2-CD2 3.97Å; L163-F168 HydrophobicContact CD2-CE2 3.35Å; L163-F168 HydrophobicContact CD2-CZ 4.06Å; L163-F168 HydrophobicContact CG-CE2 3.85Å; L163-F168 HydrophobicContact CG-CZ 4.28Å; M165-F168 HydrophobicContact CB-CE2 3.89Å; M165-F168 HydrophobicContact CB-CZ 3.85Å; M165-F168 HydrophobicContact SD-CZ 4.28Å; F168-N220 HydrophobicContact CE1-CB 4.43Å; F168-N220 WeakPolarHBondContact CE1-O 3.15Å; F168-N220 HydrophobicContact CZ-CB 4.07Å; F168-L224 HydrophobicContact CD1-CD2 3.86Å; F168-L224 HydrophobicContact CD1-CG 4.13Å; F168-L224 HydrophobicContact CE1-CD2 4.22Å; F168-L224 HydrophobicContact CE1-CG 4.06Å; F168-L227 HydrophobicContact CB-CD1 3.79Å; F168-M244 HydrophobicContact CD1-CE 4.37Å; F168-M244 HydrophobicContact CD1-CG 4.46Å; F168-M244 HydrophobicContact CE1-CE 3.84Å; F168-M244 HydrophobicContact CZ-CE 4.34Å
169M98.9Very high96.9Very high2 Ų222.7 Ų22.71%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-105.2147.4-170-65.1173.7-86.300111.9A149 F150 N151 E167 L171 I242 G243 D245 K395A149-M169 HydrophobicContact CB-CB 4.37Å; A149-M169 HydrophobicContact CB-SD 3.78Å; F150-M169 CarbonylContact O-C 3.57Å; F150-M169 WeakPolarHBondContact O-CA 3.37Å; N151-M169 HydrophobicContact CB-CG 4.07Å; E167-M169 HydrophobicContact CB-CE 4.37Å; E167-M169 HydrophobicContact CB-CG 4.34Å; M169-L171 HydrophobicContact CB-CD1 4.29Å; M169-I242 WeakPolarHBondContact O-CA 3.43Å; M169-G243 PolarHBondContact N-O 2.94Å; M169-G243 PolarHBondContact O-N 3.28Å; M169-D245 HydrophobicContact CE-CB 4.27Å; M169-K395 HydrophobicContact SD-CB 4.18Å; M169-K395 HydrophobicContact SD-CD 4.17Å
170I98.9Very high97.4Very high1 Ų124 Ų241%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-108138.3166.659.3172.5000110.3F150 V152 V188 L227 I231 V240 E241F150-I170 HydrophobicContact CB-CG1 3.84Å; F150-I170 HydrophobicContact CD2-CD1 4.49Å; F150-I170 HydrophobicContact CD2-CG1 4.12Å; F150-I170 HydrophobicContact CG-CG1 4.48Å; F150-I170 PolarHBondContact N-O 3.41Å; F150-I170 PolarHBondContact O-N 3.49Å; V152-I170 HydrophobicContact CG1-CD1 3.94Å; V152-I170 HydrophobicContact CG1-CG1 3.92Å; V152-I170 HydrophobicContact CG2-CG1 4.2Å; V152-I170 HydrophobicContact CG2-CG2 3.92Å; I170-V188 HydrophobicContact CD1-CB 3.64Å; I170-V188 HydrophobicContact CD1-CG1 3.54Å; I170-V188 HydrophobicContact CD1-CG2 4.45Å; I170-V188 HydrophobicContact CG2-CG1 4.38Å; I170-L227 HydrophobicContact CG2-CD1 4.24Å; I170-L227 HydrophobicContact CG2-CD2 4.37Å; I170-I231 HydrophobicContact CG2-CD1 4.2Å; I170-V240 HydrophobicContact CB-CG1 3.7Å; I170-V240 HydrophobicContact CG2-CG1 4.09Å; I170-E241 WeakPolarHBondContact CA-O 3.24Å
171L98.9Very high97.8Very high0 Ų019.5 Ų19.50%012%0.118CC..EExtended strand (participates in β ladder)trans-124.1104.6-178.8-66.688.5000109.3V147 A149 M169 T173 V240 E241 F429V147-L171 HydrophobicContact CG1-CB 4.02Å; V147-L171 HydrophobicContact CG1-CD2 4.46Å; A149-L171 HydrophobicContact CB-CD1 4.31Å; A149-L171 HydrophobicContact CB-CD2 4.13Å; A149-L171 HydrophobicContact CB-CG 3.91Å; M169-L171 HydrophobicContact CB-CD1 4.29Å; L171-T173 HydrophobicContact CB-CG2 4Å; L171-T173 PolarHBondContact O-N 2.94Å; L171-V240 WeakPolarHBondContact O-CA 3.31Å; L171-E241 PolarHBondContact N-O 3.48Å; L171-E241 PolarHBondContact O-N 3.29Å; L171-F429 HydrophobicContact CD2-CE2 4.47Å
172P98.8Very high98.1Very high1 Ų119.7 Ų19.71%0.00612%0.119CC..  trans-7660.9178.635-38.4000111.6P148 F150 G174 A175 A181 I184 K239 V240 Y424P148-P172 HydrophobicContact CG-CG 3.99Å; P148-P172 VanDerWaalsContact O-CD 3.25Å; P148-P172 WeakPolarHBondContact O-CD 3.29Å; F150-P172 HydrophobicContact CE2-CG 4.08Å; P172-G174 PolarHBondContact O-N 3.03Å; P172-A175 WeakPolarHBondContact O-CB 3.2Å; P172-A175 PolarHBondContact O-N 3.47Å; P172-A181 HydrophobicContact CB-CB 4.16Å; P172-A181 HydrophobicContact CG-CB 3.53Å; P172-I184 HydrophobicContact CB-CB 4.05Å; P172-I184 HydrophobicContact CB-CD1 4.47Å; P172-I184 HydrophobicContact CB-CG2 3.77Å; P172-K239 CarbonylContact C-O 3.59Å; P172-V240 HydrophobicContact CB-CG2 4.4Å; P172-Y424 PolarHBondContact O-OH 3.25Å
173T98.8Very high98.3Very high3 Ų319.6 Ų19.62%0.01812%0.12CC..THydrogen-bonded Turntrans-66.3-19.1-177.560.30000113.4V147 L171 K239 E241 G426 K427 F429V147-T173 HydrophobicContact CG1-CG2 4.05Å; V147-T173 HydrophobicContact CG2-CG2 4.45Å; L171-T173 HydrophobicContact CB-CG2 4Å; L171-T173 PolarHBondContact O-N 2.94Å; T173-K239 PolarHBondContact N-O 3.43Å; T173-E241 HydrophobicContact CG2-CG 4.1Å; T173-E241 VanDerWaalsContact OG1-CG 3.24Å; T173-E241 WeakPolarHBondContact OG1-CG 3.41Å; T173-G426 CarbonylContact O-C 3.47Å; T173-G426 WeakPolarHBondContact O-CA 3.47Å; T173-K427 PolarHBondContact O-N 2.93Å; T173-K427 VanDerWaalsContact O-N 3.07Å; T173-K427 WeakPolarHBondContact OG1-CD 3.46Å; T173-K427 WeakPolarHBondContact OG1-CE 3.43Å; T173-K427 PolarHBondContact OG1-NZ 3.08Å; T173-F429 HydrophobicContact CG2-CD1 3.9Å; T173-F429 HydrophobicContact CG2-CE1 4.2Å
174G98.6Very high98.5Very high25 Ų2519.6 Ų19.626%0.25812%0.12SC..THydrogen-bonded Turntrans-90.85.8175.800000115P172 K239P172-G174 PolarHBondContact O-N 3.03Å; G174-K239 WeakPolarHBondContact CA-O 3.42Å; G174-K239 PolarHBondContact N-O 2.94Å
175A98.7Very high98.6Very high10 Ų1019.6 Ų19.68%0.08312%0.12CC..  trans-70.1154.9168.800000111.3P172 E180 A181 I184 Y424P172-A175 WeakPolarHBondContact O-CB 3.2Å; P172-A175 PolarHBondContact O-N 3.47Å; A175-E180 HydrophobicContact CB-CB 4.14Å; A175-E180 HydrophobicContact CB-CG 4.14Å; A175-A181 HydrophobicContact CB-CB 3.83Å; A175-I184 HydrophobicContact CB-CD1 4.07Å; A175-Y424 HydrophobicContact CB-CE1 3.78Å; A175-Y424 VanDerWaalsContact O-CD1 3.28Å; A175-Y424 WeakPolarHBondContact O-CD1 3.39Å; A175-Y424 VanDerWaalsContact O-CE1 3.29Å; A175-Y424 WeakPolarHBondContact O-CE1 3.42Å
176S98.1Very high98.7Very high97 Ų9721.4 Ų21.468%0.67813%0.131SC*.SBendtrans-91.2-19.7176.563.40000113.6E180S176-E180 VanDerWaalsContact CB-OE2 3.29Å; S176-E180 WeakPolarHBondContact CB-OE2 3.18Å; S176-E180 PolarHBondContact N-OE2 3.07Å; S176-E180 PolarHBondContact OG-OE2 3.35Å
177S98.7Very high98.8Very high33 Ų3324.1 Ų24.123%0.23114%0.144CC..SBendtrans-146.7166.2179.667.20000110.9T179 E180 A181 E415S177-T179 VanDerWaalsContact C-N 3.3Å; S177-E180 PolarHBondContact O-N 3.28Å; S177-E180 PolarHBondContact OG-N 3.48Å; S177-A181 WeakPolarHBondContact O-CB 3.33Å; S177-A181 PolarHBondContact O-N 2.92Å; S177-E415 WeakPolarHBondContact CB-OE1 3.44Å
178F98.9Very high98.8Very high0 Ų023.9 Ų23.90%014%0.143CC..Hα-helixtrans-65-36.7171.8-176.6-93000111.3M145 P146 P148 A181 M182 Y408 L411 L412 E415 Y424M145-F178 HydrophobicContact CB-CB 4.3Å; M145-F178 HydrophobicContact CE-CB 4.12Å; M145-F178 HydrophobicContact CE-CD1 4.44Å; M145-F178 HydrophobicContact CE-CD2 4.49Å; M145-F178 HydrophobicContact CE-CG 4.08Å; P146-F178 WeakPolarHBondContact O-CD2 3.36Å; P148-F178 HydrophobicContact CB-CE2 4.1Å; P148-F178 HydrophobicContact CG-CD2 4.49Å; P148-F178 HydrophobicContact CG-CE2 3.95Å; F178-A181 WeakPolarHBondContact O-CB 3.46Å; F178-A181 PolarHBondContact O-N 2.9Å; F178-M182 HydrophobicContact CD1-CG 4.08Å; F178-M182 HydrophobicContact CE1-CG 3.49Å; F178-M182 VanDerWaalsContact CE1-CG 3.49Å; F178-M182 HydrophobicContact CE1-SD 4.11Å; F178-M182 HydrophobicContact CZ-CG 3.85Å; F178-M182 HydrophobicContact CZ-SD 3.93Å; F178-M182 PolarHBondContact O-N 2.8Å; F178-Y408 WeakPolarHBondContact CE1-O 3.35Å; F178-Y408 HydrophobicContact CZ-CD1 4.02Å; F178-L411 HydrophobicContact CD1-CB 3.84Å; F178-L411 HydrophobicContact CD2-CB 4.4Å; F178-L411 HydrophobicContact CD2-CD1 4.49Å; F178-L411 HydrophobicContact CE1-CB 3.31Å; F178-L411 HydrophobicContact CE1-CD1 4.34Å; F178-L411 HydrophobicContact CE1-CG 4.45Å; F178-L411 HydrophobicContact CE2-CB 3.93Å; F178-L411 HydrophobicContact CE2-CD1 3.57Å; F178-L411 HydrophobicContact CE2-CG 4.34Å; F178-L411 HydrophobicContact CG-CB 4.37Å; F178-L411 HydrophobicContact CZ-CB 3.37Å; F178-L411 HydrophobicContact CZ-CD1 3.49Å; F178-L411 VanDerWaalsContact CZ-CD1 3.49Å; F178-L411 HydrophobicContact CZ-CG 4.06Å; F178-L412 HydrophobicContact CD1-CD2 3.86Å; F178-L412 HydrophobicContact CD1-CG 4.19Å; F178-L412 HydrophobicContact CE1-CD2 4.08Å; F178-L412 HydrophobicContact CE1-CG 3.98Å; F178-E415 WeakPolarHBondContact CA-OE1 3.09Å; F178-E415 VanDerWaalsContact CB-OE1 3.31Å; F178-E415 WeakPolarHBondContact CB-OE1 3.29Å; F178-E415 PolarHBondContact N-OE1 3.37Å; F178-Y424 HydrophobicContact CB-CD2 4.27Å
179T98.9Very high98.8Very high76 Ų7624.4 Ų24.447%0.46615%0.145SC..Hα-helixtrans-59.3-46.7173-660000112.2S177 A181 M182 Q183 L412 E415S177-T179 VanDerWaalsContact C-N 3.3Å; T179-A181 VanDerWaalsContact C-N 3.33Å; T179-A181 PolarHBondContact O-N 3.04Å; T179-M182 PolarHBondContact O-N 2.63Å; T179-Q183 PolarHBondContact O-N 3.43Å; T179-Q183 VanDerWaalsContact O-N 3.09Å; T179-L412 HydrophobicContact CG2-CD2 4.43Å; T179-L412 WeakPolarHBondContact OG1-CD2 3.38Å; T179-E415 VanDerWaalsContact CB-OE2 3.26Å; T179-E415 WeakPolarHBondContact CB-OE2 3.49Å; T179-E415 PolarHBondContact N-OE2 3.45Å; T179-E415 PolarHBondContact OG1-OE2 3.4Å
180E98.9Very high98.8Very high39 Ų3930 Ų3018%0.18217%0.171CC..Hα-helixtrans-65.3-39174.8-174.9-172.8179.400110.6A175 S176 S177 M182 Q183 I184 K239A175-E180 HydrophobicContact CB-CB 4.14Å; A175-E180 HydrophobicContact CB-CG 4.14Å; S176-E180 VanDerWaalsContact CB-OE2 3.29Å; S176-E180 WeakPolarHBondContact CB-OE2 3.18Å; S176-E180 PolarHBondContact N-OE2 3.07Å; S176-E180 PolarHBondContact OG-OE2 3.35Å; S177-E180 PolarHBondContact O-N 3.28Å; S177-E180 PolarHBondContact OG-N 3.48Å; E180-M182 VanDerWaalsContact C-N 3.31Å; E180-M182 PolarHBondContact O-N 3.12Å; E180-Q183 WeakPolarHBondContact O-CB 3.12Å; E180-Q183 PolarHBondContact O-N 2.99Å; E180-Q183 VanDerWaalsContact O-N 3.16Å; E180-I184 HydrophobicContact CG-CD1 3.97Å; E180-I184 HydrophobicContact CG-CG1 4.29Å; E180-I184 WeakPolarHBondContact O-CG1 3.43Å; E180-I184 PolarHBondContact O-N 3.49Å; E180-K239 IonicContact OE1-NZ 2.61Å; E180-K239 PolarHBondContact OE1-NZ 2.87Å
181A98.9Very high98.8Very high0 Ų032.2 Ų32.20%018%0.183CC..Hα-helixtrans-58.3-41.6175.700000112.5P148 P172 A175 S177 F178 T179 G185 Y424P148-A181 HydrophobicContact CG-CB 4.04Å; P172-A181 HydrophobicContact CB-CB 4.16Å; P172-A181 HydrophobicContact CG-CB 3.53Å; A175-A181 HydrophobicContact CB-CB 3.83Å; S177-A181 WeakPolarHBondContact O-CB 3.33Å; S177-A181 PolarHBondContact O-N 2.92Å; F178-A181 WeakPolarHBondContact O-CB 3.46Å; F178-A181 PolarHBondContact O-N 2.9Å; T179-A181 VanDerWaalsContact C-N 3.33Å; T179-A181 PolarHBondContact O-N 3.04Å; A181-G185 PolarHBondContact O-N 2.95Å; A181-Y424 HydrophobicContact CB-CE2 4Å; A181-Y424 WeakPolarHBondContact CB-OH 3.41Å
182M98.8Very high98.8Very high15 Ų1532.2 Ų32.27%0.07418%0.183CC..Hα-helixtrans-63.5-44.4173.5-78.4-60.8-58.200112.2F150 F178 T179 E180 G185 T186 Y408 L412F150-M182 HydrophobicContact CE1-CE 4.39Å; F150-M182 HydrophobicContact CE1-SD 3.67Å; F150-M182 HydrophobicContact CZ-SD 3.5Å; F150-M182 VanDerWaalsContact CZ-SD 3.5Å; F178-M182 HydrophobicContact CD1-CG 4.08Å; F178-M182 HydrophobicContact CE1-CG 3.49Å; F178-M182 VanDerWaalsContact CE1-CG 3.49Å; F178-M182 HydrophobicContact CE1-SD 4.11Å; F178-M182 HydrophobicContact CZ-CG 3.85Å; F178-M182 HydrophobicContact CZ-SD 3.93Å; F178-M182 PolarHBondContact O-N 2.8Å; T179-M182 PolarHBondContact O-N 2.63Å; E180-M182 VanDerWaalsContact C-N 3.31Å; E180-M182 PolarHBondContact O-N 3.12Å; M182-G185 PolarHBondContact O-N 3.45Å; M182-T186 HydrophobicContact CE-CG2 4.42Å; M182-T186 WeakPolarHBondContact O-CB 3.29Å; M182-T186 WeakPolarHBondContact O-CG2 3.42Å; M182-T186 PolarHBondContact O-N 3.36Å; M182-T186 PolarHBondContact O-OG1 3.47Å; M182-T186 VanDerWaalsContact O-OG1 3.13Å; M182-Y408 HydrophobicContact CE-CG 4.26Å; M182-Y408 HydrophobicContact SD-CD1 4.02Å; M182-Y408 HydrophobicContact SD-CG 3.86Å; M182-L412 HydrophobicContact CB-CD2 4.46Å; M182-L412 HydrophobicContact CG-CD2 4.1Å; M182-L412 HydrophobicContact CG-CG 4.35Å
183Q98.9Very high98.8Very high98 Ų9836.8 Ų36.846%0.45820%0.203SC..Hα-helixtrans-58-53.4175.5-179.1-178.90.300110.6T179 E180 G185 T186 E187T179-Q183 PolarHBondContact O-N 3.43Å; T179-Q183 VanDerWaalsContact O-N 3.09Å; E180-Q183 WeakPolarHBondContact O-CB 3.12Å; E180-Q183 PolarHBondContact O-N 2.99Å; E180-Q183 VanDerWaalsContact O-N 3.16Å; Q183-G185 VanDerWaalsContact C-N 3.35Å; Q183-G185 PolarHBondContact O-N 3.48Å; Q183-T186 PolarHBondContact O-N 2.99Å; Q183-T186 PolarHBondContact O-OG1 3.3Å; Q183-E187 HydrophobicContact CG-CG 4.49Å; Q183-E187 VanDerWaalsContact CG-OE1 3.22Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.28Å; Q183-E187 PolarHBondContact NE2-OE1 2.91Å; Q183-E187 WeakPolarHBondContact O-CG 3.35Å; Q183-E187 PolarHBondContact O-N 2.91Å
184I98.9Very high98.8Very high1 Ų139.4 Ų39.41%0.00523%0.225CC..Hα-helixtrans-55.9-50.1179.3-68.1177.2000110.6P172 A175 E180 T186 E187 V188 Y236 K239 V240P172-I184 HydrophobicContact CB-CB 4.05Å; P172-I184 HydrophobicContact CB-CD1 4.47Å; P172-I184 HydrophobicContact CB-CG2 3.77Å; A175-I184 HydrophobicContact CB-CD1 4.07Å; E180-I184 HydrophobicContact CG-CD1 3.97Å; E180-I184 HydrophobicContact CG-CG1 4.29Å; E180-I184 WeakPolarHBondContact O-CG1 3.43Å; E180-I184 PolarHBondContact O-N 3.49Å; I184-T186 PolarHBondContact O-N 2.83Å; I184-E187 PolarHBondContact O-N 3.05Å; I184-V188 HydrophobicContact CG2-CG2 4.45Å; I184-V188 VanDerWaalsContact O-CG2 3.32Å; I184-V188 WeakPolarHBondContact O-CG2 3.34Å; I184-V188 PolarHBondContact O-N 2.97Å; I184-Y236 HydrophobicContact CB-CD2 4.38Å; I184-Y236 HydrophobicContact CB-CE2 4.34Å; I184-Y236 HydrophobicContact CB-CG 4.49Å; I184-Y236 HydrophobicContact CD1-CD1 4.05Å; I184-Y236 HydrophobicContact CD1-CE1 4.12Å; I184-Y236 HydrophobicContact CG1-CD1 3.82Å; I184-Y236 HydrophobicContact CG1-CD2 4.39Å; I184-Y236 HydrophobicContact CG1-CE1 3.59Å; I184-Y236 HydrophobicContact CG1-CE2 4.19Å; I184-Y236 HydrophobicContact CG1-CG 4.23Å; I184-Y236 HydrophobicContact CG2-CD1 4.21Å; I184-Y236 HydrophobicContact CG2-CD2 3.81Å; I184-Y236 HydrophobicContact CG2-CE2 4.27Å; I184-Y236 HydrophobicContact CG2-CG 3.78Å; I184-K239 HydrophobicContact CD1-CD 4.16Å; I184-V240 HydrophobicContact CG2-CG2 3.28Å
185G98.8Very high98.8Very high0 Ų038.3 Ų38.30%021%0.213CC..Hα-helixtrans-59.7-43.9-179.400000113.3A181 M182 Q183 Y189A181-G185 PolarHBondContact O-N 2.95Å; M182-G185 PolarHBondContact O-N 3.45Å; Q183-G185 VanDerWaalsContact C-N 3.35Å; Q183-G185 PolarHBondContact O-N 3.48Å; G185-Y189 VanDerWaalsContact O-CB 3.3Å; G185-Y189 WeakPolarHBondContact O-CB 3.46Å; G185-Y189 PolarHBondContact O-N 3.36Å
186T98.8Very high98.7Very high39 Ų3937.8 Ų37.824%0.23921%0.209CC..Hα-helixtrans-68.1-40.3179.560.60000112.4M182 Q183 I184 Y189 H190 P399M182-T186 HydrophobicContact CE-CG2 4.42Å; M182-T186 WeakPolarHBondContact O-CB 3.29Å; M182-T186 WeakPolarHBondContact O-CG2 3.42Å; M182-T186 PolarHBondContact O-N 3.36Å; M182-T186 PolarHBondContact O-OG1 3.47Å; M182-T186 VanDerWaalsContact O-OG1 3.13Å; Q183-T186 PolarHBondContact O-N 2.99Å; Q183-T186 PolarHBondContact O-OG1 3.3Å; I184-T186 PolarHBondContact O-N 2.83Å; T186-Y189 PolarHBondContact O-N 3.16Å; T186-H190 PolarHBondContact O-N 3.43Å; T186-H190 PolarHBondContact O-ND1 2.89Å; T186-P399 HydrophobicContact CG2-CB 3.74Å; T186-P399 HydrophobicContact CG2-CG 4.36Å
187E98.9Very high98.7Very high62 Ų6238.7 Ų38.729%0.2920%0.2SC..Hα-helixtrans-67.9-41.4178-72.4178.9-164.100111.7Q183 I184 H190 N191 Y236Q183-E187 HydrophobicContact CG-CG 4.49Å; Q183-E187 VanDerWaalsContact CG-OE1 3.22Å; Q183-E187 WeakPolarHBondContact CG-OE1 3.28Å; Q183-E187 PolarHBondContact NE2-OE1 2.91Å; Q183-E187 WeakPolarHBondContact O-CG 3.35Å; Q183-E187 PolarHBondContact O-N 2.91Å; I184-E187 PolarHBondContact O-N 3.05Å; E187-H190 PolarHBondContact O-N 3.48Å; E187-N191 WeakPolarHBondContact O-CB 3.39Å; E187-N191 PolarHBondContact O-N 3.43Å; E187-N191 PolarHBondContact O-ND2 3.44Å; E187-Y236 HydrophobicContact CB-CE2 3.95Å; E187-Y236 WeakPolarHBondContact OE2-CE2 3.4Å; E187-Y236 VanDerWaalsContact OE2-CZ 3.25Å; E187-Y236 PolarHBondContact OE2-OH 3.1Å
188V98.9Very high98.7Very high0 Ų044.2 Ų44.20%022%0.216CC..Hα-helixtrans-63.2-44.6172.5175.90000110.8I170 I184 H190 N191 L192 A230 I231 A234 Y236 V240I170-V188 HydrophobicContact CD1-CB 3.64Å; I170-V188 HydrophobicContact CD1-CG1 3.54Å; I170-V188 HydrophobicContact CD1-CG2 4.45Å; I170-V188 HydrophobicContact CG2-CG1 4.38Å; I184-V188 HydrophobicContact CG2-CG2 4.45Å; I184-V188 VanDerWaalsContact O-CG2 3.32Å; I184-V188 WeakPolarHBondContact O-CG2 3.34Å; I184-V188 PolarHBondContact O-N 2.97Å; V188-H190 PolarHBondContact O-N 3.33Å; V188-N191 PolarHBondContact O-N 2.92Å; V188-L192 WeakPolarHBondContact O-CB 3.2Å; V188-L192 PolarHBondContact O-N 3.46Å; V188-A230 HydrophobicContact CG1-CB 4.22Å; V188-I231 HydrophobicContact CG1-CG1 3.77Å; V188-I231 HydrophobicContact CG2-CG1 4.32Å; V188-A234 HydrophobicContact CG2-CB 3.84Å; V188-Y236 HydrophobicContact CG2-CD2 3.93Å; V188-V240 HydrophobicContact CG2-CG2 4.43Å
189Y98.9Very high98.6Very high11 Ų1147.8 Ų47.84%0.04323%0.233CC..Hα-helixtrans-60.3-42.7178177.4-105.1000112.6V152 G185 T186 L192 K193 V207 G211 F213 A398 P399 C400V152-Y189 HydrophobicContact CB-CD2 4.06Å; V152-Y189 HydrophobicContact CG1-CD2 3.76Å; V152-Y189 HydrophobicContact CG1-CG 4.48Å; G185-Y189 VanDerWaalsContact O-CB 3.3Å; G185-Y189 WeakPolarHBondContact O-CB 3.46Å; G185-Y189 PolarHBondContact O-N 3.36Å; T186-Y189 PolarHBondContact O-N 3.16Å; Y189-L192 WeakPolarHBondContact O-CB 3.39Å; Y189-L192 PolarHBondContact O-N 3.18Å; Y189-K193 PolarHBondContact O-N 3.15Å; Y189-V207 WeakPolarHBondContact OH-CG1 3.32Å; Y189-G211 PolarHBondContact OH-O 2.93Å; Y189-F213 HydrophobicContact CD1-CZ 4.38Å; Y189-F213 HydrophobicContact CD2-CD2 4.34Å; Y189-F213 AromaticContact CD2-CE2 3.59Å; Y189-F213 HydrophobicContact CD2-CE2 3.59Å; Y189-F213 HydrophobicContact CD2-CZ 4.05Å; Y189-F213 HydrophobicContact CE1-CE2 4.35Å; Y189-F213 AromaticContact CE1-CZ 3.82Å; Y189-F213 HydrophobicContact CE1-CZ 3.82Å; Y189-F213 AromaticContact CE2-CD2 3.89Å; Y189-F213 HydrophobicContact CE2-CD2 3.89Å; Y189-F213 HydrophobicContact CE2-CE1 4.21Å; Y189-F213 AromaticContact CE2-CE2 3.26Å; Y189-F213 HydrophobicContact CE2-CE2 3.26Å; Y189-F213 AromaticContact CE2-CZ 3.42Å; Y189-F213 HydrophobicContact CE2-CZ 3.42Å; Y189-F213 VanDerWaalsContact CE2-CZ 3.42Å; Y189-F213 HydrophobicContact CG-CE2 4.25Å; Y189-F213 HydrophobicContact CG-CZ 4.48Å; Y189-F213 AromaticContact CZ-CE1 3.9Å; Y189-F213 AromaticContact CZ-CE2 3.69Å; Y189-F213 AromaticContact CZ-CZ 3.28Å; Y189-F213 WeakPolarHBondContact O-CE2 3.21Å; Y189-F213 WeakPolarHBondContact OH-CE1 3.35Å; Y189-F213 WeakPolarHBondContact OH-CZ 3.41Å; Y189-A398 HydrophobicContact CE2-CB 4.16Å; Y189-P399 HydrophobicContact CD1-CG 3.92Å; Y189-P399 HydrophobicContact CD2-CG 4.31Å; Y189-P399 HydrophobicContact CG-CG 3.69Å; Y189-C400 HydrophobicContact CE1-CB 3.89Å; Y189-C400 WeakPolarHBondContact OH-CB 3.44Å
190H98.8Very high98.5Very high120 Ų12048 Ų4856%0.55623%0.225SC*.Hα-helixtrans-68.7-37.6176.7-68.5149.2000113T186 E187 V188 K193 A194T186-H190 PolarHBondContact O-N 3.43Å; T186-H190 PolarHBondContact O-ND1 2.89Å; E187-H190 PolarHBondContact O-N 3.48Å; V188-H190 PolarHBondContact O-N 3.33Å; H190-K193 WeakPolarHBondContact O-CB 3.45Å; H190-K193 PolarHBondContact O-N 3.38Å; H190-A194 PolarHBondContact O-N 3.21Å
191N98.8Very high98.4Very high47 Ų4747.6 Ų47.625%0.25123%0.232SC..Hα-helixtrans-66.5-39.9173-80.6-70.6000111.6E187 V188 K193 A194 V195 I233 A234E187-N191 WeakPolarHBondContact O-CB 3.39Å; E187-N191 PolarHBondContact O-N 3.43Å; E187-N191 PolarHBondContact O-ND2 3.44Å; V188-N191 PolarHBondContact O-N 2.92Å; N191-K193 VanDerWaalsContact C-N 3.29Å; N191-K193 PolarHBondContact O-N 3.01Å; N191-A194 WeakPolarHBondContact O-CB 3.46Å; N191-A194 PolarHBondContact O-N 3.19Å; N191-V195 WeakPolarHBondContact O-CG2 3.42Å; N191-V195 PolarHBondContact O-N 2.9Å; N191-I233 HydrophobicContact CB-CG2 4.36Å; N191-I233 WeakPolarHBondContact OD1-CG2 3.43Å; N191-A234 HydrophobicContact CB-CB 4.49Å
192L98.8Very high98.2Very high0 Ų052.9 Ų52.90%026%0.26CS..Hα-helixtrans-58-41.9174179.563.3000111.5V152 I153 V188 Y189 A194 V195 I196 F213 L226 L227 A230V152-L192 HydrophobicContact CB-CD2 3.78Å; V152-L192 HydrophobicContact CG2-CD2 3.89Å; I153-L192 HydrophobicContact CD1-CD1 4.25Å; I153-L192 HydrophobicContact CD1-CD2 4.34Å; I153-L192 HydrophobicContact CG1-CD2 3.8Å; V188-L192 WeakPolarHBondContact O-CB 3.2Å; V188-L192 PolarHBondContact O-N 3.46Å; Y189-L192 WeakPolarHBondContact O-CB 3.39Å; Y189-L192 PolarHBondContact O-N 3.18Å; L192-A194 VanDerWaalsContact C-N 3.29Å; L192-A194 PolarHBondContact O-N 2.86Å; L192-V195 PolarHBondContact O-N 3.03Å; L192-I196 HydrophobicContact CD1-CD1 3.89Å; L192-I196 HydrophobicContact CD1-CG1 4.11Å; L192-I196 HydrophobicContact CD2-CD1 4.45Å; L192-I196 HydrophobicContact CG-CD1 3.81Å; L192-I196 HydrophobicContact CG-CG1 4.41Å; L192-I196 WeakPolarHBondContact O-CB 3.36Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.14Å; L192-F213 HydrophobicContact CB-CE2 4.29Å; L192-F213 HydrophobicContact CD2-CD2 3.82Å; L192-F213 HydrophobicContact CD2-CE2 4.21Å; L192-F213 HydrophobicContact CG-CD2 3.88Å; L192-F213 HydrophobicContact CG-CE2 4.16Å; L192-L226 HydrophobicContact CD1-CB 4.04Å; L192-L227 HydrophobicContact CD1-CD2 4.1Å; L192-L227 HydrophobicContact CD2-CD2 3.69Å; L192-A230 HydrophobicContact CB-CB 3.66Å; L192-A230 HydrophobicContact CD1-CB 3.99Å; L192-A230 HydrophobicContact CG-CB 4.42Å
193K98.7Very high98.1Very high97 Ų9758.6 Ų58.642%0.42229%0.291SS..Hα-helixtrans-55.6-44.8172.8-164.7170178.3168.30112Y189 H190 N191 K197 C205 F213Y189-K193 PolarHBondContact O-N 3.15Å; H190-K193 WeakPolarHBondContact O-CB 3.45Å; H190-K193 PolarHBondContact O-N 3.38Å; N191-K193 VanDerWaalsContact C-N 3.29Å; N191-K193 PolarHBondContact O-N 3.01Å; K193-K197 VanDerWaalsContact O-CB 3.26Å; K193-K197 WeakPolarHBondContact O-CB 3.2Å; K193-K197 PolarHBondContact O-N 2.83Å; K193-C205 HydrophobicContact CG-CB 4.21Å; K193-F213 HydrophobicContact CB-CE1 3.93Å; K193-F213 HydrophobicContact CB-CE2 3.79Å; K193-F213 HydrophobicContact CB-CZ 3.32Å; K193-F213 HydrophobicContact CD-CE1 3.79Å; K193-F213 HydrophobicContact CD-CZ 3.8Å; K193-F213 HydrophobicContact CG-CE1 3.61Å; K193-F213 HydrophobicContact CG-CE2 4.4Å; K193-F213 HydrophobicContact CG-CZ 3.56Å
194A98.5Very high98Very high58 Ų5854.4 Ų54.448%0.47927%0.273SS..Hα-helixtrans-66.9-41.9-179.900000111.8H190 N191 L192 K197 R198H190-A194 PolarHBondContact O-N 3.21Å; N191-A194 WeakPolarHBondContact O-CB 3.46Å; N191-A194 PolarHBondContact O-N 3.19Å; L192-A194 VanDerWaalsContact C-N 3.29Å; L192-A194 PolarHBondContact O-N 2.86Å; A194-K197 PolarHBondContact O-N 3Å; A194-R198 WeakPolarHBondContact O-CB 3.26Å; A194-R198 PolarHBondContact O-N 3.22Å
195V98.5Very high97.9Very high1 Ų154.9 Ų54.91%0.00628%0.276CS..Hα-helixtrans-60.8-51.2175.2174.20000110.6N191 L192 K197 R198 E199 L226 E229 I233N191-V195 WeakPolarHBondContact O-CG2 3.42Å; N191-V195 PolarHBondContact O-N 2.9Å; L192-V195 PolarHBondContact O-N 3.03Å; V195-K197 PolarHBondContact O-N 2.76Å; V195-R198 PolarHBondContact O-N 3.28Å; V195-E199 PolarHBondContact O-N 3.02Å; V195-L226 HydrophobicContact CG1-CD2 3.65Å; V195-E229 HydrophobicContact CG1-CG 4.45Å; V195-E229 WeakPolarHBondContact CG1-OE2 3.37Å; V195-E229 HydrophobicContact CG2-CG 4.12Å; V195-I233 HydrophobicContact CG2-CD1 3.62Å
196I98.4Very high97.8Very high0 Ų060.1 Ų60.10%030%0.304CS..Hα-helixtrans-60.9-45.4178.8-70.6171.9000111L192 R198 E199 Y200 A204 F213 P215 L226L192-I196 HydrophobicContact CD1-CD1 3.89Å; L192-I196 HydrophobicContact CD1-CG1 4.11Å; L192-I196 HydrophobicContact CD2-CD1 4.45Å; L192-I196 HydrophobicContact CG-CD1 3.81Å; L192-I196 HydrophobicContact CG-CG1 4.41Å; L192-I196 WeakPolarHBondContact O-CB 3.36Å; L192-I196 WeakPolarHBondContact O-CG1 3.43Å; L192-I196 PolarHBondContact O-N 3.14Å; I196-R198 VanDerWaalsContact C-N 3.25Å; I196-R198 PolarHBondContact O-N 2.93Å; I196-E199 PolarHBondContact O-N 3.44Å; I196-Y200 HydrophobicContact CG2-CD2 4.47Å; I196-Y200 PolarHBondContact O-N 3.23Å; I196-A204 HydrophobicContact CG2-CB 3.69Å; I196-A204 WeakPolarHBondContact CG2-O 3.44Å; I196-F213 HydrophobicContact CD1-CB 3.47Å; I196-F213 VanDerWaalsContact CD1-CB 3.47Å; I196-F213 HydrophobicContact CD1-CD2 3.73Å; I196-F213 HydrophobicContact CD1-CG 3.78Å; I196-P215 HydrophobicContact CD1-CG 4.13Å; I196-P215 HydrophobicContact CG2-CB 4.04Å; I196-L226 HydrophobicContact CG1-CD1 4.37Å
197K98Very high97.7Very high116 Ų11660.9 Ų60.950%0.50431%0.309SS..Hα-helixtrans-57.2-41.3177.7-173.7174.4174.9179.90112K193 A194 V195 G201 L202 C205K193-K197 VanDerWaalsContact O-CB 3.26Å; K193-K197 WeakPolarHBondContact O-CB 3.2Å; K193-K197 PolarHBondContact O-N 2.83Å; A194-K197 PolarHBondContact O-N 3Å; V195-K197 PolarHBondContact O-N 2.76Å; K197-G201 CarbonylContact O-C 3.53Å; K197-G201 WeakPolarHBondContact O-CA 3.49Å; K197-G201 PolarHBondContact O-N 2.87Å; K197-L202 HydrophobicContact CD-CD1 4.31Å; K197-C205 VanDerWaalsContact CA-SG 3.6Å; K197-C205 VanDerWaalsContact CB-SG 3.51Å
198R97.7Very high97.6Very high149 Ų14958.3 Ų58.356%0.56230%0.298SS*.Hα-helixtrans-69.2-40.3-178.6-175.3-172.564.9-156.5-5.5111.7A194 V195 I196 E229A194-R198 WeakPolarHBondContact O-CB 3.26Å; A194-R198 PolarHBondContact O-N 3.22Å; V195-R198 PolarHBondContact O-N 3.28Å; I196-R198 VanDerWaalsContact C-N 3.25Å; I196-R198 PolarHBondContact O-N 2.93Å; R198-E229 IonicContact CZ-OE1 3.55Å; R198-E229 IonicContact NH1-OE1 2.87Å; R198-E229 PolarHBondContact NH1-OE1 3.47Å; R198-E229 VanDerWaalsContact NH2-CD 3.26Å; R198-E229 IonicContact NH2-OE1 2.77Å; R198-E229 PolarHBondContact NH2-OE1 3Å; R198-E229 IonicContact NH2-OE2 2.98Å; R198-E229 PolarHBondContact NH2-OE2 3.09Å
199E96.9Very high97.4Very high74 Ų7460.4 Ų60.435%0.34631%0.31SS..Hα-helixtrans-85.8-38.4-176.6-68.7-163.6178.500114.3V195 I196 K222 L226V195-E199 PolarHBondContact O-N 3.02Å; I196-E199 PolarHBondContact O-N 3.44Å; E199-K222 IonicContact OE1-NZ 3.21Å; E199-K222 PolarHBondContact OE1-NZ 3.37Å; E199-K222 WeakPolarHBondContact OE2-CE 3.35Å; E199-K222 IonicContact OE2-NZ 2.85Å; E199-K222 PolarHBondContact OE2-NZ 2.8Å; E199-L226 WeakPolarHBondContact OE2-CD2 3.46Å
200Y96.5Very high97.3Very high80 Ų8060 Ų6031%0.31431%0.308SS..Hα-helixtrans-120.61.2-169.7-59.8-79.6000113.9I196 A204 P215 I217 K222 L226I196-Y200 HydrophobicContact CG2-CD2 4.47Å; I196-Y200 PolarHBondContact O-N 3.23Å; Y200-A204 VanDerWaalsContact CB-CB 3.44Å; Y200-P215 HydrophobicContact CD2-CB 4.32Å; Y200-I217 HydrophobicContact CD1-CG2 4.45Å; Y200-I217 HydrophobicContact CE1-CG2 3.64Å; Y200-I217 HydrophobicContact CE2-CG2 4.01Å; Y200-I217 VanDerWaalsContact OH-CG2 3.31Å; Y200-I217 WeakPolarHBondContact OH-CG2 3.33Å; Y200-K222 WeakPolarHBondContact OH-CE 3.37Å; Y200-K222 VanDerWaalsContact OH-CG 3.29Å; Y200-K222 WeakPolarHBondContact OH-CG 3.12Å; Y200-L226 HydrophobicContact CE2-CD1 3.95Å; Y200-L226 HydrophobicContact CE2-CD2 4.12Å
201G96.5Very high97.3Very high32 Ų3254.3 Ų54.333%0.3328%0.282SS..  trans84.4176.2179.400000114.3K197 D203 A204K197-G201 CarbonylContact O-C 3.53Å; K197-G201 WeakPolarHBondContact O-CA 3.49Å; K197-G201 PolarHBondContact O-N 2.87Å; G201-D203 VanDerWaalsContact C-N 3.33Å; G201-D203 PolarHBondContact O-N 2.99Å; G201-A204 PolarHBondContact O-N 3.47Å
202L95.9Very high97.3Very high111 Ų11152 Ų5258%0.58127%0.27SS*.G310 helixtrans-63.4-37.6-175-178.463.5000112.6K197 A204 C205K197-L202 HydrophobicContact CD-CD1 4.31Å; L202-A204 PolarHBondContact O-N 2.93Å; L202-C205 VanDerWaalsContact O-CB 3.26Å; L202-C205 WeakPolarHBondContact O-CB 3.48Å; L202-C205 PolarHBondContact O-N 2.98Å
203D95.2Very high97.3Very high135 Ų13552 Ų5272%0.72227%0.27SS*.G310 helixtrans-66.3-25.5-175.5-60.2-29.4000112.6G201 C205 N206G201-D203 VanDerWaalsContact C-N 3.33Å; G201-D203 PolarHBondContact O-N 2.99Å; D203-C205 PolarHBondContact O-N 3.32Å; D203-N206 PolarHBondContact O-ND2 3.08Å
204A96.7Very high97.2Very high10 Ų1048.7 Ų48.78%0.08326%0.26CS..G310 helixtrans-73.3-8174.600000113.7I196 Y200 G201 L202 P215I196-A204 HydrophobicContact CG2-CB 3.69Å; I196-A204 WeakPolarHBondContact CG2-O 3.44Å; Y200-A204 VanDerWaalsContact CB-CB 3.44Å; G201-A204 PolarHBondContact O-N 3.47Å; L202-A204 PolarHBondContact O-N 2.93Å; A204-P215 HydrophobicContact CB-CB 4.25Å
205C97.1Very high97.1Very high11 Ų1145.9 Ų45.97%0.07424%0.237CC..G310 helixtrans-92.24.8179.5-59.10000113.7K193 K197 L202 D203 F213K193-C205 HydrophobicContact CG-CB 4.21Å; K197-C205 VanDerWaalsContact CA-SG 3.6Å; K197-C205 VanDerWaalsContact CB-SG 3.51Å; L202-C205 VanDerWaalsContact O-CB 3.26Å; L202-C205 WeakPolarHBondContact O-CB 3.48Å; L202-C205 PolarHBondContact O-N 2.98Å; D203-C205 PolarHBondContact O-N 3.32Å; C205-F213 WeakPolarHBondContact O-CD1 3.43Å
206N97.1Very high96.8Very high109 Ų10950.8 Ų50.858%0.58326%0.263SS*.  trans-68.3155.6167.3-66.9-53.7000109.8D203 A214D203-N206 PolarHBondContact O-ND2 3.08Å; N206-A214 PolarHBondContact O-N 3.44Å
207V97.9Very high96.6Very high56 Ų5651.1 Ų51.134%0.33927%0.265SS..BIsolated β-bridgetrans-107.7149-173.7-60.70000111.9Y189 G211 G212 F213Y189-V207 WeakPolarHBondContact OH-CG1 3.32Å; V207-G211 VanDerWaalsContact CG1-O 3.28Å; V207-G211 WeakPolarHBondContact CG1-O 3.42Å; V207-G212 CarbonylContact C-O 3.6Å; V207-G212 WeakPolarHBondContact CA-O 3.37Å; V207-G212 WeakPolarHBondContact CB-O 3.34Å; V207-F213 HydrophobicContact CG1-CD1 4.19Å; V207-F213 HydrophobicContact CG1-CE1 4.28Å
208G95.7Very high96.2Very high7 Ų750 Ų507%0.07226%0.262CS..  trans-77.3-167.2171.300000113.1H158 E210 G211 G212 R401H158-G208 WeakPolarHBondContact O-CA 3.27Å; G208-E210 PolarHBondContact O-N 3.47Å; G208-G211 PolarHBondContact O-N 2.8Å; G208-G212 PolarHBondContact N-O 3.39Å; G208-R401 PolarHBondContact O-NH1 3.22Å
209D94.8Very high96Very high44 Ų4447.1 Ų47.124%0.23526%0.257CS..THydrogen-bonded Turntrans-58.7-31-178.8-79.3-10.5000112.5R15 H158 R401 R404R15-D209 WeakPolarHBondContact CD-OD2 3.41Å; H158-D209 PolarHBondContact O-N 3.23Å; D209-R401 PolarHBondContact O-NE 2.9Å; D209-R404 PolarHBondContact O-NH2 2.93Å
210E97.9Very high95.8Very high3 Ų343.9 Ų43.91%0.01424%0.242CC..THydrogen-bonded Turntrans-105.29.2-174.1-56.8-172163.700114.4N151 H158 G208 G212 H372 S374 A398N151-E210 PolarHBondContact ND2-OE2 2.84Å; H158-E210 IonicContact CE1-OE1 3.58Å; H158-E210 PolarHBondContact CE1-OE1 3.24Å; H158-E210 VanDerWaalsContact CE1-OE1 3.23Å; H158-E210 IonicContact ND1-OE1 2.75Å; H158-E210 IonicContact ND1-OE2 3.62Å; G208-E210 PolarHBondContact O-N 3.47Å; E210-G212 VanDerWaalsContact C-N 3.35Å; E210-H372 IonicContact OE1-CE1 2.77Å; E210-H372 PolarHBondContact OE1-CE1 3.31Å; E210-H372 IonicContact OE1-NE2 3.7Å; E210-H372 IonicContact OE2-CE1 2.63Å; E210-H372 PolarHBondContact OE2-CE1 3.47Å; E210-H372 IonicContact OE2-NE2 3.62Å; E210-S374 WeakPolarHBondContact OE1-CA 3.37Å; E210-S374 WeakPolarHBondContact OE1-CB 3.2Å; E210-A398 WeakPolarHBondContact O-CB 3.46Å; E210-A398 PolarHBondContact O-N 3.01Å
211G98.2Very high95.8Very high0 Ų041.3 Ų41.30%023%0.233CC..SBendtrans86.5-3.5172.900000115Y189 V207 G208 A398 C400Y189-G211 PolarHBondContact OH-O 2.93Å; V207-G211 VanDerWaalsContact CG1-O 3.28Å; V207-G211 WeakPolarHBondContact CG1-O 3.42Å; G208-G211 PolarHBondContact O-N 2.8Å; G211-A398 WeakPolarHBondContact O-CB 3.25Å; G211-C400 WeakPolarHBondContact O-CB 3.36Å
212G98.4Very high95.8Very high0 Ų042 Ų420%023%0.227CC..  trans-76.3157.8170.600000111.3N151 V152 N154 V207 G208 E210N151-G212 WeakPolarHBondContact O-CA 3.44Å; V152-G212 CarbonylContact O-C 3.54Å; V152-G212 WeakPolarHBondContact O-CA 3.17Å; N154-G212 WeakPolarHBondContact OD1-CA 3.25Å; N154-G212 PolarHBondContact OD1-N 3.48Å; N154-G212 PolarHBondContact OD1-O 2.88Å; V207-G212 CarbonylContact C-O 3.6Å; V207-G212 WeakPolarHBondContact CA-O 3.37Å; V207-G212 WeakPolarHBondContact CB-O 3.34Å; G208-G212 PolarHBondContact N-O 3.39Å; E210-G212 VanDerWaalsContact C-N 3.35Å
213F98.5Very high95.8Very high0 Ų036.7 Ų36.70%020%0.2CC..BIsolated β-bridgetrans-69.4148.7-180-59.1-64.8000111.5V152 I153 N154 Y189 L192 K193 I196 C205 V207 P215V152-F213 PolarHBondContact O-N 3.24Å; I153-F213 CarbonylContact C-O 3.57Å; I153-F213 WeakPolarHBondContact CA-O 3.29Å; N154-F213 PolarHBondContact N-O 2.89Å; Y189-F213 HydrophobicContact CD1-CZ 4.38Å; Y189-F213 HydrophobicContact CD2-CD2 4.34Å; Y189-F213 AromaticContact CD2-CE2 3.59Å; Y189-F213 HydrophobicContact CD2-CE2 3.59Å; Y189-F213 HydrophobicContact CD2-CZ 4.05Å; Y189-F213 HydrophobicContact CE1-CE2 4.35Å; Y189-F213 AromaticContact CE1-CZ 3.82Å; Y189-F213 HydrophobicContact CE1-CZ 3.82Å; Y189-F213 AromaticContact CE2-CD2 3.89Å; Y189-F213 HydrophobicContact CE2-CD2 3.89Å; Y189-F213 HydrophobicContact CE2-CE1 4.21Å; Y189-F213 AromaticContact CE2-CE2 3.26Å; Y189-F213 HydrophobicContact CE2-CE2 3.26Å; Y189-F213 AromaticContact CE2-CZ 3.42Å; Y189-F213 HydrophobicContact CE2-CZ 3.42Å; Y189-F213 VanDerWaalsContact CE2-CZ 3.42Å; Y189-F213 HydrophobicContact CG-CE2 4.25Å; Y189-F213 HydrophobicContact CG-CZ 4.48Å; Y189-F213 AromaticContact CZ-CE1 3.9Å; Y189-F213 AromaticContact CZ-CE2 3.69Å; Y189-F213 AromaticContact CZ-CZ 3.28Å; Y189-F213 WeakPolarHBondContact O-CE2 3.21Å; Y189-F213 WeakPolarHBondContact OH-CE1 3.35Å; Y189-F213 WeakPolarHBondContact OH-CZ 3.41Å; L192-F213 HydrophobicContact CB-CE2 4.29Å; L192-F213 HydrophobicContact CD2-CD2 3.82Å; L192-F213 HydrophobicContact CD2-CE2 4.21Å; L192-F213 HydrophobicContact CG-CD2 3.88Å; L192-F213 HydrophobicContact CG-CE2 4.16Å; K193-F213 HydrophobicContact CB-CE1 3.93Å; K193-F213 HydrophobicContact CB-CE2 3.79Å; K193-F213 HydrophobicContact CB-CZ 3.32Å; K193-F213 HydrophobicContact CD-CE1 3.79Å; K193-F213 HydrophobicContact CD-CZ 3.8Å; K193-F213 HydrophobicContact CG-CE1 3.61Å; K193-F213 HydrophobicContact CG-CE2 4.4Å; K193-F213 HydrophobicContact CG-CZ 3.56Å; I196-F213 HydrophobicContact CD1-CB 3.47Å; I196-F213 VanDerWaalsContact CD1-CB 3.47Å; I196-F213 HydrophobicContact CD1-CD2 3.73Å; I196-F213 HydrophobicContact CD1-CG 3.78Å; C205-F213 WeakPolarHBondContact O-CD1 3.43Å; V207-F213 HydrophobicContact CG1-CD1 4.19Å; V207-F213 HydrophobicContact CG1-CE1 4.28Å; F213-P215 WeakPolarHBondContact O-CD 3.31Å
214A97.3Very high95.9Very high26 Ų2630.3 Ų30.322%0.21517%0.165CC..  trans-116.660.6179.200000111.9A159 N206A159-A214 HydrophobicContact CB-CB 3.74Å; N206-A214 PolarHBondContact O-N 3.44Å
215P96.4Very high96Very high0 Ų034 Ų340%018%0.181CC..  trans-63.2149177.929.3-33.9000110.6I153 N161 I196 Y200 A204 F213 I217I153-P215 HydrophobicContact CG2-CG 4.15Å; N161-P215 VanDerWaalsContact CB-O 3.29Å; N161-P215 WeakPolarHBondContact CB-O 3.49Å; N161-P215 PolarHBondContact ND2-O 3.46Å; N161-P215 VanDerWaalsContact ND2-O 3.1Å; I196-P215 HydrophobicContact CD1-CG 4.13Å; I196-P215 HydrophobicContact CG2-CB 4.04Å; Y200-P215 HydrophobicContact CD2-CB 4.32Å; A204-P215 HydrophobicContact CB-CB 4.25Å; F213-P215 WeakPolarHBondContact O-CD 3.31Å; P215-I217 HydrophobicContact CB-CG2 4.35Å; P215-I217 HydrophobicContact CG-CD1 4.12Å; P215-I217 HydrophobicContact CG-CG1 4.12Å; P215-I217 PolarHBondContact O-N 2.89Å
216N92Very high96Very high104 Ų10433.4 Ų33.456%0.55618%0.177SC*.  trans-79.962.1179.6-168.726.2000111.8
217I93Very high96.1Very high7 Ų728.2 Ų28.24%0.03615%0.149CC..  trans-101.2147.7174.258.5174.3000109.8K162 L163 Y200 P215 K222 L226K162-I217 CarbonylContact C-O 3.44Å; L163-I217 WeakPolarHBondContact CA-O 3.47Å; L163-I217 HydrophobicContact CB-CG1 4.33Å; L163-I217 WeakPolarHBondContact CB-O 3.47Å; L163-I217 HydrophobicContact CD1-CD1 4.15Å; L163-I217 HydrophobicContact CD1-CG1 4.1Å; L163-I217 HydrophobicContact CD2-CD1 3.96Å; L163-I217 HydrophobicContact CD2-CG1 4.08Å; L163-I217 HydrophobicContact CG-CG1 4.42Å; L163-I217 PolarHBondContact N-O 3Å; Y200-I217 HydrophobicContact CD1-CG2 4.45Å; Y200-I217 HydrophobicContact CE1-CG2 3.64Å; Y200-I217 HydrophobicContact CE2-CG2 4.01Å; Y200-I217 VanDerWaalsContact OH-CG2 3.31Å; Y200-I217 WeakPolarHBondContact OH-CG2 3.33Å; P215-I217 HydrophobicContact CB-CG2 4.35Å; P215-I217 HydrophobicContact CG-CD1 4.12Å; P215-I217 HydrophobicContact CG-CG1 4.12Å; P215-I217 PolarHBondContact O-N 2.89Å; I217-K222 HydrophobicContact CG2-CG 4.23Å; I217-L226 HydrophobicContact CD1-CD1 4.3Å
218Q90.5Very high96.1Very high92 Ų9230.2 Ų30.243%0.4316%0.155SC..  trans-106.7-36.9173.9-176171.81.100111.5K162 D260K162-Q218 HydrophobicContact CB-CB 4.01Å; K162-Q218 HydrophobicContact CB-CG 4.3Å; K162-Q218 HydrophobicContact CD-CB 4.41Å; Q218-D260 PolarHBondContact NE2-OD1 3.4Å
219D93.6Very high96.2Very high89 Ų8932.4 Ų32.448%0.47616%0.163SC..  trans-79.9119.7-178.9-179.610.7000111.9M221 K222 G223D219-M221 VanDerWaalsContact C-N 3.26Å; D219-M221 PolarHBondContact O-N 3.33Å; D219-M221 WeakPolarHBondContact OD1-CB 3.34Å; D219-M221 PolarHBondContact OD1-N 2.81Å; D219-K222 HydrophobicContact CB-CB 4.26Å; D219-K222 WeakPolarHBondContact O-CB 3.35Å; D219-K222 PolarHBondContact O-N 2.95Å; D219-K222 VanDerWaalsContact O-N 3.11Å; D219-G223 PolarHBondContact O-N 3.04Å
220N93.5Very high96.4Very high5 Ų530.3 Ų30.33%0.02715%0.152CC..Hα-helixtrans-61-32.9176.3-58.6-61000112.5L163 M165 F168 K222 G223 L224 M284L163-N220 HydrophobicContact CD1-CB 4.45Å; L163-N220 WeakPolarHBondContact CD1-OD1 3.44Å; M165-N220 WeakPolarHBondContact CB-OD1 3.35Å; M165-N220 HydrophobicContact CE-CB 4.12Å; M165-N220 HydrophobicContact CG-CB 4.5Å; M165-N220 VanDerWaalsContact CG-OD1 3.29Å; M165-N220 WeakPolarHBondContact CG-OD1 3.44Å; M165-N220 PolarHBondContact N-OD1 3.08Å; M165-N220 HydrophobicContact SD-CB 3.65Å; F168-N220 HydrophobicContact CE1-CB 4.43Å; F168-N220 WeakPolarHBondContact CE1-O 3.15Å; F168-N220 HydrophobicContact CZ-CB 4.07Å; N220-K222 VanDerWaalsContact C-N 3.28Å; N220-K222 PolarHBondContact O-N 3.02Å; N220-G223 PolarHBondContact O-N 2.82Å; N220-L224 PolarHBondContact O-N 2.78Å; N220-M284 HydrophobicContact CB-CE 3.55Å
221M95.6Very high96.5Very high26 Ų2630.5 Ų30.513%0.12815%0.153CC..Hα-helixtrans-64-35.7176-68-79.2-172.500111.3D219 G223 L224 Q225 Q283 M284 F288D219-M221 VanDerWaalsContact C-N 3.26Å; D219-M221 PolarHBondContact O-N 3.33Å; D219-M221 WeakPolarHBondContact OD1-CB 3.34Å; D219-M221 PolarHBondContact OD1-N 2.81Å; M221-G223 VanDerWaalsContact C-N 3.3Å; M221-G223 PolarHBondContact O-N 2.95Å; M221-L224 PolarHBondContact O-N 2.86Å; M221-Q225 WeakPolarHBondContact O-CG 3.3Å; M221-Q225 PolarHBondContact O-N 2.81Å; M221-Q283 HydrophobicContact CE-CB 4.05Å; M221-M284 HydrophobicContact CE-CB 4.35Å; M221-M284 HydrophobicContact CE-CE 4.26Å; M221-M284 HydrophobicContact CE-CG 3.4Å; M221-M284 HydrophobicContact CG-CE 4.3Å; M221-M284 HydrophobicContact SD-CE 4.37Å; M221-M284 HydrophobicContact SD-CG 3.7Å; M221-F288 HydrophobicContact SD-CD2 4.49Å; M221-F288 HydrophobicContact SD-CE2 3.67Å
222K96.2Very high96.5Very high47 Ų4737.8 Ų37.820%0.20419%0.185CC..Hα-helixtrans-66-35.3176-176.655.6-179.1170.10111.5E199 Y200 I217 D219 N220 L224 Q225 L226E199-K222 IonicContact OE1-NZ 3.21Å; E199-K222 PolarHBondContact OE1-NZ 3.37Å; E199-K222 WeakPolarHBondContact OE2-CE 3.35Å; E199-K222 IonicContact OE2-NZ 2.85Å; E199-K222 PolarHBondContact OE2-NZ 2.8Å; Y200-K222 WeakPolarHBondContact OH-CE 3.37Å; Y200-K222 VanDerWaalsContact OH-CG 3.29Å; Y200-K222 WeakPolarHBondContact OH-CG 3.12Å; I217-K222 HydrophobicContact CG2-CG 4.23Å; D219-K222 HydrophobicContact CB-CB 4.26Å; D219-K222 WeakPolarHBondContact O-CB 3.35Å; D219-K222 PolarHBondContact O-N 2.95Å; D219-K222 VanDerWaalsContact O-N 3.11Å; N220-K222 VanDerWaalsContact C-N 3.28Å; N220-K222 PolarHBondContact O-N 3.02Å; K222-L224 VanDerWaalsContact C-N 3.34Å; K222-L224 PolarHBondContact O-N 3.34Å; K222-Q225 HydrophobicContact CD-CB 4.4Å; K222-Q225 VanDerWaalsContact CD-OE1 3.31Å; K222-Q225 PolarHBondContact O-N 2.95Å; K222-L226 VanDerWaalsContact O-CG 3.32Å; K222-L226 WeakPolarHBondContact O-CG 3.27Å; K222-L226 PolarHBondContact O-N 2.94Å
223G96.5Very high96.5Very high0 Ų041.7 Ų41.70%021%0.205CC..Hα-helixtrans-56.5-47.8171.300000111.9D219 N220 M221 Q225 L226 L227D219-G223 PolarHBondContact O-N 3.04Å; N220-G223 PolarHBondContact O-N 2.82Å; M221-G223 VanDerWaalsContact C-N 3.3Å; M221-G223 PolarHBondContact O-N 2.95Å; G223-Q225 PolarHBondContact O-N 2.97Å; G223-L226 PolarHBondContact O-N 3.33Å; G223-L227 PolarHBondContact O-N 2.98Å
224L98Very high96.5Very high0 Ų042.5 Ų42.50%021%0.212CC..Hα-helixtrans-64.7-39.1177.4-63.8168.8000113F168 N220 M221 K222 L226 L227 E228 I242 M244 M284 F288 I290F168-L224 HydrophobicContact CD1-CD2 3.86Å; F168-L224 HydrophobicContact CD1-CG 4.13Å; F168-L224 HydrophobicContact CE1-CD2 4.22Å; F168-L224 HydrophobicContact CE1-CG 4.06Å; N220-L224 PolarHBondContact O-N 2.78Å; M221-L224 PolarHBondContact O-N 2.86Å; K222-L224 VanDerWaalsContact C-N 3.34Å; K222-L224 PolarHBondContact O-N 3.34Å; L224-L226 VanDerWaalsContact C-N 3.35Å; L224-L226 PolarHBondContact O-N 2.54Å; L224-L227 PolarHBondContact O-N 2.75Å; L224-E228 PolarHBondContact O-N 2.63Å; L224-I242 HydrophobicContact CD2-CD1 4.28Å; L224-I242 HydrophobicContact CD2-CG2 3.71Å; L224-M244 HydrophobicContact CD1-SD 4.23Å; L224-M244 HydrophobicContact CD2-CG 4.4Å; L224-M244 HydrophobicContact CD2-SD 3.91Å; L224-M284 HydrophobicContact CD1-CB 4.07Å; L224-M284 HydrophobicContact CD1-CG 3.91Å; L224-M284 HydrophobicContact CD1-SD 4.19Å; L224-F288 HydrophobicContact CB-CD1 3.78Å; L224-F288 HydrophobicContact CB-CD2 3.82Å; L224-F288 HydrophobicContact CB-CE1 3.73Å; L224-F288 HydrophobicContact CB-CE2 3.76Å; L224-F288 HydrophobicContact CB-CG 3.82Å; L224-F288 HydrophobicContact CB-CZ 3.72Å; L224-F288 HydrophobicContact CD1-CD2 3.53Å; L224-F288 HydrophobicContact CD1-CE2 3.81Å; L224-F288 HydrophobicContact CD1-CG 4.12Å; L224-F288 HydrophobicContact CG-CD2 4.25Å; L224-F288 HydrophobicContact CG-CE2 4.44Å; L224-F288 HydrophobicContact CG-CG 4.44Å; L224-I290 HydrophobicContact CD1-CD1 3.97Å; L224-I290 HydrophobicContact CD2-CD1 4.19Å; L224-I290 HydrophobicContact CD2-CG1 4.43Å
225Q97.9Very high96.6Very high87 Ų8744.2 Ų44.241%0.40723%0.231SC..Hα-helixtrans-62.6-39.8175.3-71.2169.3-8.400112.5M221 K222 G223 L227 E228 E229 F288M221-Q225 WeakPolarHBondContact O-CG 3.3Å; M221-Q225 PolarHBondContact O-N 2.81Å; K222-Q225 HydrophobicContact CD-CB 4.4Å; K222-Q225 VanDerWaalsContact CD-OE1 3.31Å; K222-Q225 PolarHBondContact O-N 2.95Å; G223-Q225 PolarHBondContact O-N 2.97Å; Q225-L227 VanDerWaalsContact C-N 3.31Å; Q225-L227 PolarHBondContact O-N 3.15Å; Q225-E228 PolarHBondContact O-N 3.47Å; Q225-E229 PolarHBondContact O-N 2.85Å; Q225-F288 HydrophobicContact CG-CE1 4.04Å; Q225-F288 HydrophobicContact CG-CZ 3.85Å
226L98Very high96.7Very high0 Ų045.9 Ų45.90%024%0.238CC..Hα-helixtrans-63.1-39.7175.7-68.8168.6000111.4I153 L192 V195 I196 E199 Y200 I217 K222 G223 L224 A230I153-L226 HydrophobicContact CD1-CB 4.21Å; I153-L226 HydrophobicContact CD1-CD1 4.49Å; L192-L226 HydrophobicContact CD1-CB 4.04Å; V195-L226 HydrophobicContact CG1-CD2 3.65Å; I196-L226 HydrophobicContact CG1-CD1 4.37Å; E199-L226 WeakPolarHBondContact OE2-CD2 3.46Å; Y200-L226 HydrophobicContact CE2-CD1 3.95Å; Y200-L226 HydrophobicContact CE2-CD2 4.12Å; I217-L226 HydrophobicContact CD1-CD1 4.3Å; K222-L226 VanDerWaalsContact O-CG 3.32Å; K222-L226 WeakPolarHBondContact O-CG 3.27Å; K222-L226 PolarHBondContact O-N 2.94Å; G223-L226 PolarHBondContact O-N 3.33Å; L224-L226 VanDerWaalsContact C-N 3.35Å; L224-L226 PolarHBondContact O-N 2.54Å; L226-A230 WeakPolarHBondContact O-CB 3.39Å; L226-A230 PolarHBondContact O-N 3.47Å
227L98.2Very high97Very high0 Ų045.9 Ų45.90%024%0.242CC..Hα-helixtrans-65.1-47.3175-65.4-168.8000112.2V152 I153 F168 I170 L192 G223 L224 Q225 E229 A230 I231 I242V152-L227 HydrophobicContact CG2-CD1 4.43Å; V152-L227 HydrophobicContact CG2-CD2 3.45Å; V152-L227 VanDerWaalsContact CG2-CD2 3.45Å; I153-L227 HydrophobicContact CD1-CD2 3.68Å; I153-L227 HydrophobicContact CD1-CG 4Å; I153-L227 HydrophobicContact CG1-CD2 3.96Å; F168-L227 HydrophobicContact CB-CD1 3.79Å; I170-L227 HydrophobicContact CG2-CD1 4.24Å; I170-L227 HydrophobicContact CG2-CD2 4.37Å; L192-L227 HydrophobicContact CD1-CD2 4.1Å; L192-L227 HydrophobicContact CD2-CD2 3.69Å; G223-L227 PolarHBondContact O-N 2.98Å; L224-L227 PolarHBondContact O-N 2.75Å; Q225-L227 VanDerWaalsContact C-N 3.31Å; Q225-L227 PolarHBondContact O-N 3.15Å; L227-E229 VanDerWaalsContact C-N 3.3Å; L227-E229 PolarHBondContact O-N 2.84Å; L227-A230 PolarHBondContact O-N 3.26Å; L227-I231 WeakPolarHBondContact O-CB 3.45Å; L227-I231 WeakPolarHBondContact O-CD1 3.49Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 2.79Å; L227-I242 HydrophobicContact CB-CD1 4.03Å; L227-I242 HydrophobicContact CD1-CD1 4.27Å; L227-I242 HydrophobicContact CD1-CG1 4.3Å; L227-I242 HydrophobicContact CD1-CG2 4.27Å
228E97.9Very high97.2Very high97 Ų9748.1 Ų48.145%0.45327%0.267SS..Hα-helixtrans-58-44.1178.2-176-179.6-128.900111.5L224 Q225 I231 K232L224-E228 PolarHBondContact O-N 2.63Å; Q225-E228 PolarHBondContact O-N 3.47Å; E228-I231 PolarHBondContact O-N 2.94Å; E228-K232 WeakPolarHBondContact O-CB 3.22Å; E228-K232 PolarHBondContact O-N 3.2Å
229E98.5Very high97.5Very high54 Ų5447.6 Ų47.625%0.25226%0.264SS..Hα-helixtrans-62.3-47.1175.7-175.2176.9-178.700111.7V195 R198 Q225 L227 I231 K232 I233V195-E229 HydrophobicContact CG1-CG 4.45Å; V195-E229 WeakPolarHBondContact CG1-OE2 3.37Å; V195-E229 HydrophobicContact CG2-CG 4.12Å; R198-E229 IonicContact CZ-OE1 3.55Å; R198-E229 IonicContact NH1-OE1 2.87Å; R198-E229 PolarHBondContact NH1-OE1 3.47Å; R198-E229 VanDerWaalsContact NH2-CD 3.26Å; R198-E229 IonicContact NH2-OE1 2.77Å; R198-E229 PolarHBondContact NH2-OE1 3Å; R198-E229 IonicContact NH2-OE2 2.98Å; R198-E229 PolarHBondContact NH2-OE2 3.09Å; Q225-E229 PolarHBondContact O-N 2.85Å; L227-E229 VanDerWaalsContact C-N 3.3Å; L227-E229 PolarHBondContact O-N 2.84Å; E229-I231 PolarHBondContact O-N 3.19Å; E229-K232 PolarHBondContact O-N 2.92Å; E229-I233 HydrophobicContact CG-CD1 3.74Å; E229-I233 HydrophobicContact CG-CG1 4.27Å; E229-I233 WeakPolarHBondContact O-CG1 3.39Å; E229-I233 PolarHBondContact O-N 3.41Å
230A98.7Very high97.8Very high0 Ų043.6 Ų43.60%024%0.242CC..Hα-helixtrans-61.3-43.1179.500000112.4V188 L192 L226 L227 K232 I233 A234V188-A230 HydrophobicContact CG1-CB 4.22Å; L192-A230 HydrophobicContact CB-CB 3.66Å; L192-A230 HydrophobicContact CD1-CB 3.99Å; L192-A230 HydrophobicContact CG-CB 4.42Å; L226-A230 WeakPolarHBondContact O-CB 3.39Å; L226-A230 PolarHBondContact O-N 3.47Å; L227-A230 PolarHBondContact O-N 3.26Å; A230-K232 VanDerWaalsContact C-N 3.33Å; A230-K232 PolarHBondContact O-N 3.02Å; A230-I233 PolarHBondContact O-N 2.89Å; A230-A234 WeakPolarHBondContact O-CB 3.44Å; A230-A234 PolarHBondContact O-N 3.47Å
231I98.8Very high98Very high7 Ų744.9 Ų44.94%0.03625%0.248CC..Hα-helixtrans-60.8-43.7175.7-69.3163.6000110.5I170 V188 L227 E228 E229 A234 G235 Y236 V240 I242I170-I231 HydrophobicContact CG2-CD1 4.2Å; V188-I231 HydrophobicContact CG1-CG1 3.77Å; V188-I231 HydrophobicContact CG2-CG1 4.32Å; L227-I231 WeakPolarHBondContact O-CB 3.45Å; L227-I231 WeakPolarHBondContact O-CD1 3.49Å; L227-I231 WeakPolarHBondContact O-CG1 3.47Å; L227-I231 PolarHBondContact O-N 2.79Å; E228-I231 PolarHBondContact O-N 2.94Å; E229-I231 PolarHBondContact O-N 3.19Å; I231-A234 PolarHBondContact O-N 2.86Å; I231-G235 PolarHBondContact O-N 3.34Å; I231-Y236 PolarHBondContact O-N 2.86Å; I231-Y236 VanDerWaalsContact O-N 3.08Å; I231-V240 HydrophobicContact CD1-CB 4.17Å; I231-V240 HydrophobicContact CD1-CG1 3.65Å; I231-V240 HydrophobicContact CG1-CB 4.2Å; I231-V240 HydrophobicContact CG1-CG1 3.89Å; I231-V240 HydrophobicContact CG2-CB 4.07Å; I231-I242 HydrophobicContact CD1-CG1 4.34Å
232K98.6Very high98.2Very high152 Ų15243.6 Ų43.666%0.66124%0.242SC*.Hα-helixtrans-64.8-47.1178.6-178.8-179.3177.6-179.50112.1E228 E229 A230 A234 G235E228-K232 WeakPolarHBondContact O-CB 3.22Å; E228-K232 PolarHBondContact O-N 3.2Å; E229-K232 PolarHBondContact O-N 2.92Å; A230-K232 VanDerWaalsContact C-N 3.33Å; A230-K232 PolarHBondContact O-N 3.02Å; K232-A234 VanDerWaalsContact C-N 3.29Å; K232-A234 PolarHBondContact O-N 3.2Å; K232-G235 PolarHBondContact O-N 2.7Å
233I98.5Very high98.3Very high83 Ų8341.4 Ų41.443%0.42623%0.232SC..Hα-helixtrans-62.3-39.9178.9-67.2170.6000110.7N191 V195 E229 A230 G235N191-I233 HydrophobicContact CB-CG2 4.36Å; N191-I233 WeakPolarHBondContact OD1-CG2 3.43Å; V195-I233 HydrophobicContact CG2-CD1 3.62Å; E229-I233 HydrophobicContact CG-CD1 3.74Å; E229-I233 HydrophobicContact CG-CG1 4.27Å; E229-I233 WeakPolarHBondContact O-CG1 3.39Å; E229-I233 PolarHBondContact O-N 3.41Å; A230-I233 PolarHBondContact O-N 2.89Å; I233-G235 PolarHBondContact O-N 2.86Å
234A98.6Very high98.4Very high17 Ų1741.4 Ų41.414%0.1423%0.232CC..THydrogen-bonded Turntrans-69.9-11176.700000113.7V188 N191 A230 I231 K232 Y236V188-A234 HydrophobicContact CG2-CB 3.84Å; N191-A234 HydrophobicContact CB-CB 4.49Å; A230-A234 WeakPolarHBondContact O-CB 3.44Å; A230-A234 PolarHBondContact O-N 3.47Å; I231-A234 PolarHBondContact O-N 2.86Å; K232-A234 VanDerWaalsContact C-N 3.29Å; K232-A234 PolarHBondContact O-N 3.2Å; A234-Y236 HydrophobicContact CB-CD2 3.65Å; A234-Y236 HydrophobicContact CB-CE2 4.07Å; A234-Y236 WeakPolarHBondContact O-CD2 3.45Å; A234-Y236 WeakPolarHBondContact O-CE2 3.2Å
235G98.6Very high98.4Very high61 Ų6141.4 Ų41.463%0.62923%0.232SC*.THydrogen-bonded Turntrans81.619.8177.900000114.8I231 K232 I233I231-G235 PolarHBondContact O-N 3.34Å; K232-G235 PolarHBondContact O-N 2.7Å; I233-G235 PolarHBondContact O-N 2.86Å
236Y98.7Very high98.4Very high35 Ų3537.2 Ų37.214%0.13721%0.213CC..  trans-112.518.2-173.8-61.8-59.8000115I184 E187 V188 I231 A234 G238 K239 V240I184-Y236 HydrophobicContact CB-CD2 4.38Å; I184-Y236 HydrophobicContact CB-CE2 4.34Å; I184-Y236 HydrophobicContact CB-CG 4.49Å; I184-Y236 HydrophobicContact CD1-CD1 4.05Å; I184-Y236 HydrophobicContact CD1-CE1 4.12Å; I184-Y236 HydrophobicContact CG1-CD1 3.82Å; I184-Y236 HydrophobicContact CG1-CD2 4.39Å; I184-Y236 HydrophobicContact CG1-CE1 3.59Å; I184-Y236 HydrophobicContact CG1-CE2 4.19Å; I184-Y236 HydrophobicContact CG1-CG 4.23Å; I184-Y236 HydrophobicContact CG2-CD1 4.21Å; I184-Y236 HydrophobicContact CG2-CD2 3.81Å; I184-Y236 HydrophobicContact CG2-CE2 4.27Å; I184-Y236 HydrophobicContact CG2-CG 3.78Å; E187-Y236 HydrophobicContact CB-CE2 3.95Å; E187-Y236 WeakPolarHBondContact OE2-CE2 3.4Å; E187-Y236 VanDerWaalsContact OE2-CZ 3.25Å; E187-Y236 PolarHBondContact OE2-OH 3.1Å; V188-Y236 HydrophobicContact CG2-CD2 3.93Å; I231-Y236 PolarHBondContact O-N 2.86Å; I231-Y236 VanDerWaalsContact O-N 3.08Å; A234-Y236 HydrophobicContact CB-CD2 3.65Å; A234-Y236 HydrophobicContact CB-CE2 4.07Å; A234-Y236 WeakPolarHBondContact O-CD2 3.45Å; A234-Y236 WeakPolarHBondContact O-CE2 3.2Å; Y236-G238 PolarHBondContact O-N 2.86Å; Y236-K239 HydrophobicContact CD1-CD 4.25Å; Y236-K239 WeakPolarHBondContact O-CB 3.21Å; Y236-K239 PolarHBondContact O-N 3.26Å; Y236-V240 PolarHBondContact O-N 2.9Å
237T98.1Very high98.4Very high104 Ų10437.4 Ų37.464%0.63821%0.214SC*.BIsolated β-bridgetrans-53.7128.3172.5-56.70000110.8K239T237-K239 VanDerWaalsContact C-N 3.27Å; T237-K239 PolarHBondContact O-N 3.02Å
238G97.4Very high98.4Very high55 Ų5537.4 Ų37.457%0.56721%0.214SC*.THydrogen-bonded Turntrans84.1-14.8-175.900000115.2Y236 K427Y236-G238 PolarHBondContact O-N 2.86Å; G238-K427 PolarHBondContact O-NZ 3.09Å
239K98.5Very high98.4Very high81 Ų8133.6 Ų33.635%0.35220%0.198SC..THydrogen-bonded Turntrans-95-24.8170.2-75.5-167.1167.8-168.30113.1P172 T173 G174 E180 I184 Y236 T237P172-K239 CarbonylContact C-O 3.59Å; T173-K239 PolarHBondContact N-O 3.43Å; G174-K239 WeakPolarHBondContact CA-O 3.42Å; G174-K239 PolarHBondContact N-O 2.94Å; E180-K239 IonicContact OE1-NZ 2.61Å; E180-K239 PolarHBondContact OE1-NZ 2.87Å; I184-K239 HydrophobicContact CD1-CD 4.16Å; Y236-K239 HydrophobicContact CD1-CD 4.25Å; Y236-K239 WeakPolarHBondContact O-CB 3.21Å; Y236-K239 PolarHBondContact O-N 3.26Å; T237-K239 VanDerWaalsContact C-N 3.27Å; T237-K239 PolarHBondContact O-N 3.02Å
240V98.8Very high98.3Very high4 Ų434.1 Ų34.12%0.02420%0.2CC..BIsolated β-bridgetrans-113.6128.8-179.2179.40000110.2I170 L171 P172 I184 V188 I231 Y236I170-V240 HydrophobicContact CB-CG1 3.7Å; I170-V240 HydrophobicContact CG2-CG1 4.09Å; L171-V240 WeakPolarHBondContact O-CA 3.31Å; P172-V240 HydrophobicContact CB-CG2 4.4Å; I184-V240 HydrophobicContact CG2-CG2 3.28Å; V188-V240 HydrophobicContact CG2-CG2 4.43Å; I231-V240 HydrophobicContact CD1-CB 4.17Å; I231-V240 HydrophobicContact CD1-CG1 3.65Å; I231-V240 HydrophobicContact CG1-CB 4.2Å; I231-V240 HydrophobicContact CG1-CG1 3.89Å; I231-V240 HydrophobicContact CG2-CB 4.07Å; Y236-V240 PolarHBondContact O-N 2.9Å
241E98.6Very high98.2Very high32 Ų3234.1 Ų34.115%0.1520%0.201CC..EExtended strand (participates in β ladder)trans-106.2171171.8-47.8-61.4164.100109.8I170 L171 T173 P289 V291 K427I170-E241 WeakPolarHBondContact CA-O 3.24Å; L171-E241 PolarHBondContact N-O 3.48Å; L171-E241 PolarHBondContact O-N 3.29Å; T173-E241 HydrophobicContact CG2-CG 4.1Å; T173-E241 VanDerWaalsContact OG1-CG 3.24Å; T173-E241 WeakPolarHBondContact OG1-CG 3.41Å; E241-P289 VanDerWaalsContact OE2-CB 3.29Å; E241-P289 WeakPolarHBondContact OE2-CB 3.33Å; E241-V291 HydrophobicContact CB-CB 4.3Å; E241-V291 HydrophobicContact CB-CG1 3.77Å; E241-V291 HydrophobicContact CB-CG2 3.53Å; E241-V291 HydrophobicContact CG-CG1 3.85Å; E241-V291 HydrophobicContact CG-CG2 4.2Å; E241-K427 IonicContact OE1-NZ 3.94Å; E241-K427 PolarHBondContact OE1-NZ 2.99Å
242I98.8Very high98.2Very high0 Ų036.3 Ų36.30%021%0.211CC..EExtended strand (participates in β ladder)trans-112.6139.9179.8-65.8171.4000110.7M169 L224 L227 I231 M244 P289 I290 V291M169-I242 WeakPolarHBondContact O-CA 3.43Å; L224-I242 HydrophobicContact CD2-CD1 4.28Å; L224-I242 HydrophobicContact CD2-CG2 3.71Å; L227-I242 HydrophobicContact CB-CD1 4.03Å; L227-I242 HydrophobicContact CD1-CD1 4.27Å; L227-I242 HydrophobicContact CD1-CG1 4.3Å; L227-I242 HydrophobicContact CD1-CG2 4.27Å; I231-I242 HydrophobicContact CD1-CG1 4.34Å; I242-M244 HydrophobicContact CG2-CG 4.35Å; I242-P289 HydrophobicContact CD1-CG 4.18Å; I242-P289 HydrophobicContact CG1-CG 4.37Å; I242-P289 PolarHBondContact N-O 3Å; I242-I290 HydrophobicContact CB-CG1 4.19Å; I242-I290 HydrophobicContact CG2-CG1 4.04Å; I242-I290 CarbonylContact O-C 3.39Å; I242-I290 WeakPolarHBondContact O-CA 3.49Å; I242-V291 PolarHBondContact O-N 3Å
243G98.8Very high98.1Very high0 Ų032.5 Ų32.50%019%0.194CC..EExtended strand (participates in β ladder)trans-120157167.300000110M169 S292M169-G243 PolarHBondContact N-O 2.94Å; M169-G243 PolarHBondContact O-N 3.28Å; G243-S292 CarbonylContact C-O 3.19Å; G243-S292 VanDerWaalsContact CA-O 3.28Å; G243-S292 WeakPolarHBondContact CA-O 3.39Å
244M98.7Very high97.9Very high0 Ų034.8 Ų34.80%021%0.207CC..EExtended strand (participates in β ladder)trans-136.8143.8176.9-61.9171.862.900110M165 E167 F168 L224 I242 M284 I290 S292 I293 E294M165-M244 HydrophobicContact CE-CE 4.34Å; M165-M244 HydrophobicContact SD-CE 3.18Å; M165-M244 WeakPolarHBondContact SD-CE 3.32Å; E167-M244 VanDerWaalsContact O-CA 3.31Å; E167-M244 WeakPolarHBondContact O-CA 3.5Å; F168-M244 HydrophobicContact CD1-CE 4.37Å; F168-M244 HydrophobicContact CD1-CG 4.46Å; F168-M244 HydrophobicContact CE1-CE 3.84Å; F168-M244 HydrophobicContact CZ-CE 4.34Å; L224-M244 HydrophobicContact CD1-SD 4.23Å; L224-M244 HydrophobicContact CD2-CG 4.4Å; L224-M244 HydrophobicContact CD2-SD 3.91Å; I242-M244 HydrophobicContact CG2-CG 4.35Å; M244-M284 HydrophobicContact CE-SD 3.95Å; M244-M284 HydrophobicContact SD-SD 4.42Å; M244-I290 HydrophobicContact SD-CD1 3.64Å; M244-I290 HydrophobicContact SD-CG1 4.34Å; M244-S292 PolarHBondContact N-O 2.98Å; M244-I293 CarbonylContact O-C 3.56Å; M244-I293 WeakPolarHBondContact O-CA 3.29Å; M244-E294 PolarHBondContact O-N 3.05Å
245D98.6Very high97.8Very high0 Ų036 Ų360%022%0.221CC..EExtended strand (participates in β ladder)trans-114.2117.5158.3167.226.9000108.1Q166 E167 M169 A247 E294 K395Q166-D245 PolarHBondContact N-O 2.9Å; Q166-D245 PolarHBondContact NE2-OD2 3.18Å; E167-D245 HydrophobicContact CB-CB 3.79Å; E167-D245 HydrophobicContact CG-CB 3.7Å; E167-D245 PolarHBondContact N-O 3.4Å; E167-D245 PolarHBondContact O-N 3.15Å; M169-D245 HydrophobicContact CE-CB 4.27Å; D245-A247 PolarHBondContact OD1-N 2.83Å; D245-E294 HydrophobicContact CB-CB 3.95Å; D245-E294 HydrophobicContact CB-CG 4.23Å; D245-K395 IonicContact OD2-NZ 3.39Å
246C98.1Very high97.7Very high0 Ų036.6 Ų36.60%021%0.206CC..  trans-83-29.8179.9-59.50000111.3M165 A248 F251 Y281 E294 D295M165-C246 HydrophobicContact CG-CB 4.32Å; C246-A248 PolarHBondContact O-N 3.06Å; C246-F251 WeakPolarHBondContact O-CE1 3.32Å; C246-Y281 WeakPolarHBondContact CB-OH 3.28Å; C246-Y281 WeakPolarHBondContact SG-CE1 3.41Å; C246-Y281 PolarHBondContact SG-OH 2.87Å; C246-E294 PolarHBondContact N-O 2.95Å; C246-D295 WeakPolarHBondContact CB-O 3.1Å
247A97.5Very high97.7Very high3 Ų335 Ų353%0.02520%0.2CC..  trans4648.4-171.400000112.1Q166 D245 S249 E250Q166-A247 HydrophobicContact CB-CB 3.79Å; Q166-A247 HydrophobicContact CG-CB 4.35Å; D245-A247 PolarHBondContact OD1-N 2.83Å; A247-S249 PolarHBondContact O-N 3.16Å; A247-E250 HydrophobicContact CB-CG 4.19Å; A247-E250 WeakPolarHBondContact O-CB 3.36Å; A247-E250 PolarHBondContact O-N 2.88Å
248A98.2Very high97.7Very high0 Ų030 Ų300%017%0.169CC..G310 helixtrans-64.3-19.6-165.400000114.7C246 E250 F251 H252 Y257 D295 P296C246-A248 PolarHBondContact O-N 3.06Å; A248-E250 PolarHBondContact O-N 3.11Å; A248-F251 VanDerWaalsContact CA-CZ 3.42Å; A248-F251 HydrophobicContact CB-CE2 3.67Å; A248-F251 HydrophobicContact CB-CZ 3.69Å; A248-F251 CarbonylContact O-C 3.57Å; A248-F251 PolarHBondContact O-N 3.02Å; A248-H252 WeakPolarHBondContact O-CB 3.32Å; A248-H252 PolarHBondContact O-N 3.33Å; A248-Y257 HydrophobicContact CB-CD1 4.11Å; A248-Y257 HydrophobicContact CB-CE1 3.88Å; A248-D295 WeakPolarHBondContact CB-O 3.45Å; A248-D295 PolarHBondContact N-O 3.41Å; A248-D295 VanDerWaalsContact N-O 3.08Å; A248-P296 WeakPolarHBondContact CB-O 3.31Å
249S97.7Very high97.7Very high17 Ų1729 Ų2912%0.11915%0.151CC..G310 helixtrans-55.2-34.5169.5-52.40000112.5A247 F251 H252 Q299A247-S249 PolarHBondContact O-N 3.16Å; S249-F251 PolarHBondContact O-N 3.39Å; S249-H252 PolarHBondContact O-N 3.09Å; S249-Q299 PolarHBondContact OG-N 2.96Å
250E96.4Very high97.6Very high65 Ų6526.3 Ų26.330%0.30414%0.14SC..G310 helixtrans-67.4-24.2-177.8-66.1-68.5110.900113.3S157 A247 A248S157-E250 PolarHBondContact OG-OE2 3.07Å; A247-E250 HydrophobicContact CB-CG 4.19Å; A247-E250 WeakPolarHBondContact O-CB 3.36Å; A247-E250 PolarHBondContact O-N 2.88Å; A248-E250 PolarHBondContact O-N 3.11Å
251F96.8Very high97.4Very high1 Ų127.9 Ų27.90%0.00415%0.147CC..G310 helixtrans-12214.417953.7-106000113.6A164 C246 A248 S249 Y257 D258 L259 F261 M277A164-F251 HydrophobicContact CB-CD1 4.29Å; A164-F251 HydrophobicContact CB-CE1 4.34Å; C246-F251 WeakPolarHBondContact O-CE1 3.32Å; A248-F251 VanDerWaalsContact CA-CZ 3.42Å; A248-F251 HydrophobicContact CB-CE2 3.67Å; A248-F251 HydrophobicContact CB-CZ 3.69Å; A248-F251 CarbonylContact O-C 3.57Å; A248-F251 PolarHBondContact O-N 3.02Å; S249-F251 PolarHBondContact O-N 3.39Å; F251-Y257 AromaticContact CD2-CD1 3.89Å; F251-Y257 HydrophobicContact CD2-CD1 3.89Å; F251-Y257 HydrophobicContact CD2-CG 4.45Å; F251-Y257 AromaticContact CE2-CD1 3.82Å; F251-Y257 HydrophobicContact CE2-CD1 3.82Å; F251-Y257 HydrophobicContact CE2-CG 4.41Å; F251-Y257 WeakPolarHBondContact O-CA 3.35Å; F251-D258 VanDerWaalsContact CB-O 3.3Å; F251-D258 WeakPolarHBondContact CB-O 3.45Å; F251-D258 PolarHBondContact O-N 3.14Å; F251-L259 HydrophobicContact CD2-CD2 4.19Å; F251-L259 HydrophobicContact CE2-CD2 3.83Å; F251-L259 HydrophobicContact CZ-CD2 4.09Å; F251-F261 HydrophobicContact CB-CB 3.76Å; F251-F261 HydrophobicContact CB-CD1 3.63Å; F251-F261 HydrophobicContact CB-CE1 4.34Å; F251-F261 HydrophobicContact CB-CG 3.74Å; F251-F261 HydrophobicContact CD1-CD1 4.19Å; F251-F261 HydrophobicContact CD1-CE1 4.18Å; F251-F261 HydrophobicContact CG-CD1 4.35Å; F251-M277 HydrophobicContact CE2-CE 3.67Å; F251-M277 HydrophobicContact CZ-CE 4.18Å
252H97.7Very high97.2Very high53 Ų5329.2 Ų29.225%0.24515%0.152CC..EExtended strand (participates in β ladder)trans-80.2122.4171.7178.2-121000110.3A248 S249 G255 K256 Y257 D298A248-H252 WeakPolarHBondContact O-CB 3.32Å; A248-H252 PolarHBondContact O-N 3.33Å; S249-H252 PolarHBondContact O-N 3.09Å; H252-G255 VanDerWaalsContact NE2-CA 3.33Å; H252-G255 WeakPolarHBondContact NE2-CA 3.5Å; H252-K256 CarbonylContact C-O 3.52Å; H252-K256 WeakPolarHBondContact CA-O 3.47Å; H252-K256 PolarHBondContact CD2-O 3.34Å; H252-K256 VanDerWaalsContact CD2-O 3.23Å; H252-Y257 HydrophobicContact CB-CD1 4.11Å; H252-Y257 HydrophobicContact CB-CE1 3.91Å; H252-Y257 AromaticContact CD2-CE1 3.81Å; H252-Y257 AromaticContact CD2-CZ 3.85Å; H252-D298 HydrophobicContact CB-CB 3.83Å; H252-D298 IonicContact CE1-OD1 3.57Å; H252-D298 IonicContact CG-OD1 2.75Å; H252-D298 WeakPolarHBondContact ND1-CB 3.5Å; H252-D298 IonicContact ND1-OD1 2.54Å; H252-D298 PolarHBondContact ND1-OD1 3.37Å; H252-D298 IonicContact ND1-OD2 2.79Å
253K96.4Very high97Very high71 Ų7131.9 Ų31.931%0.30917%0.166SC..EExtended strand (participates in β ladder)trans-142.4125.9-178.7-63.6178.4-172.3166.70109.6G255 K256 D258 W271K253-G255 VanDerWaalsContact C-N 3.28Å; K253-G255 PolarHBondContact O-N 2.93Å; K253-K256 PolarHBondContact N-O 3.05Å; K253-K256 PolarHBondContact O-N 3.12Å; K253-K256 VanDerWaalsContact O-O 3.11Å; K253-D258 HydrophobicContact CD-CB 4.2Å; K253-D258 IonicContact NZ-OD2 2.63Å; K253-D258 PolarHBondContact NZ-OD2 3.42Å; K253-W271 HydrophobicContact CB-CE3 4.06Å; K253-W271 HydrophobicContact CB-CH2 3.74Å; K253-W271 HydrophobicContact CB-CZ3 3.44Å; K253-W271 VanDerWaalsContact CB-CZ3 3.44Å; K253-W271 HydrophobicContact CD-CH2 3.76Å; K253-W271 HydrophobicContact CD-CZ2 3.94Å; K253-W271 HydrophobicContact CD-CZ3 4.32Å; K253-W271 HydrophobicContact CG-CH2 4.4Å
254N94.9Very high96.8Very high132 Ų13237.5 Ų37.571%0.70620%0.203SC*.THydrogen-bonded Turntrans52.240.4174.5-55.8-26.1000114.1K256 W271N254-K256 VanDerWaalsContact C-N 3.29Å; N254-K256 PolarHBondContact O-N 3.44Å; N254-W271 HydrophobicContact CB-CZ3 4.42Å
255G96Very high96.6Very high41 Ų4145 Ų4542%0.42324%0.238SC..THydrogen-bonded Turntrans75.812.5-179.900000114.8H252 K253H252-G255 VanDerWaalsContact NE2-CA 3.33Å; H252-G255 WeakPolarHBondContact NE2-CA 3.5Å; K253-G255 VanDerWaalsContact C-N 3.28Å; K253-G255 PolarHBondContact O-N 2.93Å
256K98Very high96.5Very high75 Ų7546.2 Ų46.233%0.32625%0.246SC..EExtended strand (participates in β ladder)trans-133.7172.7179.4-63.5179.9-173.5164.90110.4H252 K253 N254 E268 W271 L272H252-K256 CarbonylContact C-O 3.52Å; H252-K256 WeakPolarHBondContact CA-O 3.47Å; H252-K256 PolarHBondContact CD2-O 3.34Å; H252-K256 VanDerWaalsContact CD2-O 3.23Å; K253-K256 PolarHBondContact N-O 3.05Å; K253-K256 PolarHBondContact O-N 3.12Å; K253-K256 VanDerWaalsContact O-O 3.11Å; N254-K256 VanDerWaalsContact C-N 3.29Å; N254-K256 PolarHBondContact O-N 3.44Å; K256-E268 IonicContact NZ-OE1 2.65Å; K256-W271 HydrophobicContact CB-CB 3.99Å; K256-W271 HydrophobicContact CB-CE3 4.25Å; K256-W271 HydrophobicContact CD-CB 4.12Å; K256-L272 CarbonylContact C-O 3.56Å; K256-L272 WeakPolarHBondContact CA-O 3.45Å; K256-L272 WeakPolarHBondContact CB-O 3.29Å
257Y98.4Very high96.4Very high0 Ų048.4 Ų48.40%026%0.264CS..EExtended strand (participates in β ladder)trans-120.5120.3-175.8-62.1-86.2000111.6A248 F251 H252 W271 L272 P274 M277 F297 D298 D301A248-Y257 HydrophobicContact CB-CD1 4.11Å; A248-Y257 HydrophobicContact CB-CE1 3.88Å; F251-Y257 AromaticContact CD2-CD1 3.89Å; F251-Y257 HydrophobicContact CD2-CD1 3.89Å; F251-Y257 HydrophobicContact CD2-CG 4.45Å; F251-Y257 AromaticContact CE2-CD1 3.82Å; F251-Y257 HydrophobicContact CE2-CD1 3.82Å; F251-Y257 HydrophobicContact CE2-CG 4.41Å; F251-Y257 WeakPolarHBondContact O-CA 3.35Å; H252-Y257 HydrophobicContact CB-CD1 4.11Å; H252-Y257 HydrophobicContact CB-CE1 3.91Å; H252-Y257 AromaticContact CD2-CE1 3.81Å; H252-Y257 AromaticContact CD2-CZ 3.85Å; Y257-W271 WeakPolarHBondContact O-CA 2.98Å; Y257-L272 PolarHBondContact N-O 3.04Å; Y257-L272 PolarHBondContact O-N 2.88Å; Y257-P274 HydrophobicContact CE2-CB 4.1Å; Y257-P274 HydrophobicContact CE2-CG 4Å; Y257-M277 HydrophobicContact CD1-CE 4.3Å; Y257-M277 HydrophobicContact CD2-CB 4.35Å; Y257-M277 HydrophobicContact CD2-CG 3.52Å; Y257-M277 HydrophobicContact CE2-CG 4.35Å; Y257-M277 HydrophobicContact CG-CE 4.12Å; Y257-M277 HydrophobicContact CG-CG 3.7Å; Y257-M277 HydrophobicContact CG-SD 4.27Å; Y257-F297 HydrophobicContact CE2-CD1 4.17Å; Y257-F297 AromaticContact CZ-CD1 3.99Å; Y257-F297 WeakPolarHBondContact OH-CA 3.29Å; Y257-F297 VanDerWaalsContact OH-CB 3.32Å; Y257-F297 WeakPolarHBondContact OH-CB 3.44Å; Y257-D298 HydrophobicContact CE1-CB 4.3Å; Y257-D298 PolarHBondContact OH-N 3.03Å; Y257-D301 PolarHBondContact OH-OD2 3.29Å
258D97.8Very high96.3Very high0 Ų053.1 Ų53.10%029%0.285CS..  trans-95.888.2-176.9179.66.9000111.2F251 K253 D260 F261 S266 W271F251-D258 VanDerWaalsContact CB-O 3.3Å; F251-D258 WeakPolarHBondContact CB-O 3.45Å; F251-D258 PolarHBondContact O-N 3.14Å; K253-D258 HydrophobicContact CD-CB 4.2Å; K253-D258 IonicContact NZ-OD2 2.63Å; K253-D258 PolarHBondContact NZ-OD2 3.42Å; D258-D260 PolarHBondContact O-N 2.81Å; D258-D260 VanDerWaalsContact OD1-C 3.28Å; D258-D260 PolarHBondContact OD1-N 3.32Å; D258-D260 VanDerWaalsContact OD1-N 3.09Å; D258-F261 HydrophobicContact CB-CB 4.23Å; D258-F261 WeakPolarHBondContact O-CB 3.45Å; D258-F261 PolarHBondContact O-N 2.83Å; D258-F261 PolarHBondContact OD1-N 3Å; D258-F261 VanDerWaalsContact OD2-CA 3.29Å; D258-F261 WeakPolarHBondContact OD2-CA 3.37Å; D258-S266 WeakPolarHBondContact OD1-CB 3.44Å; D258-S266 PolarHBondContact OD1-OG 3.37Å; D258-S266 PolarHBondContact OD2-OG 3.2Å; D258-W271 HydrophobicContact CB-CD2 4.08Å; D258-W271 HydrophobicContact CB-CG 4.09Å; D258-W271 HydrophobicContact CB-CZ2 4.48Å; D258-W271 VanDerWaalsContact CG-NE1 3.26Å; D258-W271 PolarHBondContact OD1-NE1 3.22Å
259L97Very high96.2Very high35 Ų3558.5 Ų58.518%0.18332%0.323CS..THydrogen-bonded Turntrans-696.8178.9-59.8-174.6000114.4A164 F251 L272 M277 M280A164-L259 HydrophobicContact CB-CB 4.18Å; A164-L259 HydrophobicContact CB-CD2 4.03Å; A164-L259 WeakPolarHBondContact CB-O 3.12Å; F251-L259 HydrophobicContact CD2-CD2 4.19Å; F251-L259 HydrophobicContact CE2-CD2 3.83Å; F251-L259 HydrophobicContact CZ-CD2 4.09Å; L259-L272 HydrophobicContact CD1-CD1 3.57Å; L259-L272 HydrophobicContact CD1-CG 4.4Å; L259-L272 HydrophobicContact CG-CD1 4.23Å; L259-M277 HydrophobicContact CD1-SD 4.31Å; L259-M277 HydrophobicContact CD2-CE 4.23Å; L259-M277 HydrophobicContact CD2-SD 3.95Å; L259-M277 HydrophobicContact CG-SD 4.31Å; L259-M280 HydrophobicContact CD1-CE 3.88Å; L259-M280 HydrophobicContact CD1-SD 3.82Å
260D96Very high96.1Very high24 Ų2461.9 Ų61.913%0.12834%0.343CS..THydrogen-bonded Turntrans-125.430.4170.3-162.228.4000110.7Q218 D258 K262 N263Q218-D260 PolarHBondContact NE2-OD1 3.4Å; D258-D260 PolarHBondContact O-N 2.81Å; D258-D260 VanDerWaalsContact OD1-C 3.28Å; D258-D260 PolarHBondContact OD1-N 3.32Å; D258-D260 VanDerWaalsContact OD1-N 3.09Å; D260-K262 PolarHBondContact O-N 2.88Å; D260-N263 HydrophobicContact CB-CB 4.42Å; D260-N263 WeakPolarHBondContact O-CA 3.43Å; D260-N263 VanDerWaalsContact O-CB 3.23Å; D260-N263 WeakPolarHBondContact O-CB 3.19Å; D260-N263 PolarHBondContact O-N 3.42Å; D260-N263 WeakPolarHBondContact OD1-CB 3.49Å; D260-N263 WeakPolarHBondContact OD2-CB 3.45Å; D260-N263 PolarHBondContact OD2-ND2 3.26Å
261F95.8Very high96.2Very high36 Ų3660.6 Ų60.616%0.15834%0.336CS..THydrogen-bonded Turntrans-57.8-21.8-171.479.3-79.5000115.8A164 F251 D258 N263A164-F261 HydrophobicContact CB-CD1 4.29Å; A164-F261 HydrophobicContact CB-CE1 4.34Å; F251-F261 HydrophobicContact CB-CB 3.76Å; F251-F261 HydrophobicContact CB-CD1 3.63Å; F251-F261 HydrophobicContact CB-CE1 4.34Å; F251-F261 HydrophobicContact CB-CG 3.74Å; F251-F261 HydrophobicContact CD1-CD1 4.19Å; F251-F261 HydrophobicContact CD1-CE1 4.18Å; F251-F261 HydrophobicContact CG-CD1 4.35Å; D258-F261 HydrophobicContact CB-CB 4.23Å; D258-F261 WeakPolarHBondContact O-CB 3.45Å; D258-F261 PolarHBondContact O-N 2.83Å; D258-F261 PolarHBondContact OD1-N 3Å; D258-F261 VanDerWaalsContact OD2-CA 3.29Å; D258-F261 WeakPolarHBondContact OD2-CA 3.37Å; F261-N263 VanDerWaalsContact C-N 3.29Å
262K94.1Very high96.2Very high61 Ų6163 Ų6327%0.26535%0.348SS..THydrogen-bonded Turntrans-78.7-12.7175.6-69.3-175.5-80.4-170.80113G156 A159 N161 L163 D260 P264G156-K262 PolarHBondContact O-NZ 3.41Å; A159-K262 PolarHBondContact O-NZ 3Å; N161-K262 WeakPolarHBondContact O-CD 3.49Å; N161-K262 WeakPolarHBondContact O-CE 3.21Å; N161-K262 PolarHBondContact O-NZ 2.76Å; N161-K262 PolarHBondContact OD1-NZ 3.15Å; L163-K262 VanDerWaalsContact O-CE 3.24Å; L163-K262 WeakPolarHBondContact O-CE 3.25Å; L163-K262 PolarHBondContact O-NZ 3.42Å; D260-K262 PolarHBondContact O-N 2.88Å; K262-P264 WeakPolarHBondContact O-CD 3.43Å
263N95Very high96.2Very high55 Ų5563 Ų6329%0.29435%0.354SS..SBendtrans-85.7115.1171.6-179.23.9000109.7D260 F261 H265 S266D260-N263 HydrophobicContact CB-CB 4.42Å; D260-N263 WeakPolarHBondContact O-CA 3.43Å; D260-N263 VanDerWaalsContact O-CB 3.23Å; D260-N263 WeakPolarHBondContact O-CB 3.19Å; D260-N263 PolarHBondContact O-N 3.42Å; D260-N263 WeakPolarHBondContact OD1-CB 3.49Å; D260-N263 WeakPolarHBondContact OD2-CB 3.45Å; D260-N263 PolarHBondContact OD2-ND2 3.26Å; F261-N263 VanDerWaalsContact C-N 3.29Å; N263-H265 PolarHBondContact O-N 3.39Å; N263-H265 WeakPolarHBondContact OD1-CB 3.39Å; N263-H265 PolarHBondContact OD1-N 2.81Å; N263-S266 WeakPolarHBondContact O-CB 3.16Å; N263-S266 PolarHBondContact O-N 2.77Å
264P93.6Very high96.3Very high118 Ų11861 Ų6177%0.76635%0.349SS*.THydrogen-bonded Turntrans-63.8-10.6177.727.6-35.3000113.4K262K262-P264 WeakPolarHBondContact O-CD 3.43Å
265H95.4Very high96.4Very high159 Ų15959.1 Ų59.174%0.73634%0.339SS*.THydrogen-bonded Turntrans-110.120.1176.7-53.2-60.5000113N263 A267N263-H265 PolarHBondContact O-N 3.39Å; N263-H265 WeakPolarHBondContact OD1-CB 3.39Å; N263-H265 PolarHBondContact OD1-N 2.81Å; H265-A267 PolarHBondContact O-N 3.26Å
266S95.9Very high96.5Very high25 Ų2558.8 Ų58.818%0.17533%0.332CS..  trans-55.6131.5173.2179.10000110.7D258 N263 W271D258-S266 WeakPolarHBondContact OD1-CB 3.44Å; D258-S266 PolarHBondContact OD1-OG 3.37Å; D258-S266 PolarHBondContact OD2-OG 3.2Å; N263-S266 WeakPolarHBondContact O-CB 3.16Å; N263-S266 PolarHBondContact O-N 2.77Å; S266-W271 PolarHBondContact OG-NE1 2.98Å; S266-W271 VanDerWaalsContact OG-NE1 3.09Å
267A95.5Very high96.5Very high46 Ų4655.2 Ų55.238%0.3832%0.317SS..  trans-95127.7-176.800000110.6H265 S269 T270 W271H265-A267 PolarHBondContact O-N 3.26Å; A267-S269 PolarHBondContact O-N 3.32Å; A267-T270 HydrophobicContact CB-CG2 4.46Å; A267-T270 PolarHBondContact O-N 3.17Å; A267-T270 PolarHBondContact O-OG1 3.49Å; A267-W271 VanDerWaalsContact O-CD1 3.32Å; A267-W271 PolarHBondContact O-NE1 2.96Å
268E95.9Very high96.4Very high101 Ų10155.4 Ų55.447%0.47232%0.318SS..G310 helixtrans-56.7-25.4-178.7-174.3178165.200113.9K256 T270 W271K256-E268 IonicContact NZ-OE1 2.65Å; E268-T270 PolarHBondContact O-N 3Å; E268-W271 HydrophobicContact CB-CD2 4.24Å; E268-W271 HydrophobicContact CB-CE3 4.39Å; E268-W271 HydrophobicContact CB-CZ2 4.38Å; E268-W271 HydrophobicContact CG-CD2 4.01Å; E268-W271 HydrophobicContact CG-CE3 3.76Å; E268-W271 HydrophobicContact CG-CH2 4.42Å; E268-W271 HydrophobicContact CG-CZ3 3.97Å; E268-W271 WeakPolarHBondContact O-CB 3.21Å; E268-W271 PolarHBondContact O-N 2.91Å
269S96.1Very high96.4Very high114 Ų11459.2 Ų59.280%0.79734%0.338SS*.G310 helixtrans-66.6-17176.256.50000114.3A267A267-S269 PolarHBondContact O-N 3.32Å
270T95.6Very high96.4Very high88 Ų8858.9 Ų58.954%0.5434%0.336SS..G310 helixtrans-94.8-8.7176.467.40000112.9A267 E268A267-T270 HydrophobicContact CB-CG2 4.46Å; A267-T270 PolarHBondContact O-N 3.17Å; A267-T270 PolarHBondContact O-OG1 3.49Å; E268-T270 PolarHBondContact O-N 3Å
271W97.8Very high96.5Very high38 Ų3857.8 Ų57.814%0.14433%0.33CS..PPolyproline II helixtrans-70.3137.9-176.9-60.31.4000110.8K253 N254 K256 Y257 D258 S266 A267 E268K253-W271 HydrophobicContact CB-CE3 4.06Å; K253-W271 HydrophobicContact CB-CH2 3.74Å; K253-W271 HydrophobicContact CB-CZ3 3.44Å; K253-W271 VanDerWaalsContact CB-CZ3 3.44Å; K253-W271 HydrophobicContact CD-CH2 3.76Å; K253-W271 HydrophobicContact CD-CZ2 3.94Å; K253-W271 HydrophobicContact CD-CZ3 4.32Å; K253-W271 HydrophobicContact CG-CH2 4.4Å; N254-W271 HydrophobicContact CB-CZ3 4.42Å; K256-W271 HydrophobicContact CB-CB 3.99Å; K256-W271 HydrophobicContact CB-CE3 4.25Å; K256-W271 HydrophobicContact CD-CB 4.12Å; Y257-W271 WeakPolarHBondContact O-CA 2.98Å; D258-W271 HydrophobicContact CB-CD2 4.08Å; D258-W271 HydrophobicContact CB-CG 4.09Å; D258-W271 HydrophobicContact CB-CZ2 4.48Å; D258-W271 VanDerWaalsContact CG-NE1 3.26Å; D258-W271 PolarHBondContact OD1-NE1 3.22Å; S266-W271 PolarHBondContact OG-NE1 2.98Å; S266-W271 VanDerWaalsContact OG-NE1 3.09Å; A267-W271 VanDerWaalsContact O-CD1 3.32Å; A267-W271 PolarHBondContact O-NE1 2.96Å; E268-W271 HydrophobicContact CB-CD2 4.24Å; E268-W271 HydrophobicContact CB-CE3 4.39Å; E268-W271 HydrophobicContact CB-CZ2 4.38Å; E268-W271 HydrophobicContact CG-CD2 4.01Å; E268-W271 HydrophobicContact CG-CE3 3.76Å; E268-W271 HydrophobicContact CG-CH2 4.42Å; E268-W271 HydrophobicContact CG-CZ3 3.97Å; E268-W271 WeakPolarHBondContact O-CB 3.21Å; E268-W271 PolarHBondContact O-N 2.91Å
272L97.9Very high96.6Very high50 Ų5059.9 Ų59.926%0.26234%0.339SS..BIsolated β-bridgetrans-85.4140.3-176.2-59.9-171.5000110.8K256 Y257 L259 A276 M277 M280K256-L272 CarbonylContact C-O 3.56Å; K256-L272 WeakPolarHBondContact CA-O 3.45Å; K256-L272 WeakPolarHBondContact CB-O 3.29Å; Y257-L272 PolarHBondContact N-O 3.04Å; Y257-L272 PolarHBondContact O-N 2.88Å; L259-L272 HydrophobicContact CD1-CD1 3.57Å; L259-L272 HydrophobicContact CD1-CG 4.4Å; L259-L272 HydrophobicContact CG-CD1 4.23Å; L272-A276 HydrophobicContact CB-CB 4.09Å; L272-A276 HydrophobicContact CD2-CB 4.34Å; L272-M277 HydrophobicContact CB-CG 3.85Å; L272-M277 HydrophobicContact CB-SD 4.17Å; L272-M277 HydrophobicContact CD1-CG 4.32Å; L272-M277 HydrophobicContact CD1-SD 3.77Å; L272-M280 HydrophobicContact CD1-SD 4.5Å
273S98Very high96.8Very high54 Ų5461.9 Ų61.938%0.37835%0.349SS..PPolyproline II helixtrans-69.3161.5165.466.50000110.6D275 A276 M277S273-D275 VanDerWaalsContact C-N 3.25Å; S273-D275 PolarHBondContact O-N 3.38Å; S273-A276 PolarHBondContact O-N 3.09Å; S273-A276 WeakPolarHBondContact OG-CB 3.42Å; S273-A276 PolarHBondContact OG-N 3.4Å; S273-M277 PolarHBondContact O-N 3.06Å
274P97.7Very high96.9Very high30 Ų3059.2 Ų59.220%0.19534%0.335CS..Hα-helixtrans-53.8-40.4174.2-23.430.3000113.2Y257 A276 M277 A278 T304Y257-P274 HydrophobicContact CE2-CB 4.1Å; Y257-P274 HydrophobicContact CE2-CG 4Å; P274-A276 PolarHBondContact O-N 3.28Å; P274-M277 WeakPolarHBondContact O-CB 3.42Å; P274-M277 PolarHBondContact O-N 3.06Å; P274-A278 PolarHBondContact O-N 3.06Å; P274-T304 HydrophobicContact CB-CG2 3.6Å; P274-T304 VanDerWaalsContact CB-OG1 3.31Å; P274-T304 WeakPolarHBondContact CB-OG1 3.49Å
275D97.2Very high97.1Very high91 Ų9155.3 Ų55.349%0.48731%0.308SS..Hα-helixtrans-66.6-37.4176.1-72.6-24.3000113S273 A278 N279S273-D275 VanDerWaalsContact C-N 3.25Å; S273-D275 PolarHBondContact O-N 3.38Å; D275-A278 PolarHBondContact O-N 3.27Å; D275-N279 WeakPolarHBondContact O-CB 3.49Å; D275-N279 VanDerWaalsContact O-CG 3.28Å; D275-N279 PolarHBondContact O-N 2.77Å; D275-N279 PolarHBondContact O-ND2 3.37Å
276A97.7Very high97.2Very high35 Ų3552.2 Ų52.229%0.28930%0.304SS..Hα-helixtrans-66.9-40.3176.200000111.3L272 S273 P274 N279 M280L272-A276 HydrophobicContact CB-CB 4.09Å; L272-A276 HydrophobicContact CD2-CB 4.34Å; S273-A276 PolarHBondContact O-N 3.09Å; S273-A276 WeakPolarHBondContact OG-CB 3.42Å; S273-A276 PolarHBondContact OG-N 3.4Å; P274-A276 PolarHBondContact O-N 3.28Å; A276-N279 PolarHBondContact O-N 2.6Å; A276-M280 PolarHBondContact O-N 3.01Å
277M97.5Very high97.3Very high0 Ų057.2 Ų57.20%032%0.323CS..Hα-helixtrans-59.7-49.6171.3-77-70.3-72.400111.6F251 Y257 L259 L272 S273 P274 N279 M280 Y281 F297F251-M277 HydrophobicContact CE2-CE 3.67Å; F251-M277 HydrophobicContact CZ-CE 4.18Å; Y257-M277 HydrophobicContact CD1-CE 4.3Å; Y257-M277 HydrophobicContact CD2-CB 4.35Å; Y257-M277 HydrophobicContact CD2-CG 3.52Å; Y257-M277 HydrophobicContact CE2-CG 4.35Å; Y257-M277 HydrophobicContact CG-CE 4.12Å; Y257-M277 HydrophobicContact CG-CG 3.7Å; Y257-M277 HydrophobicContact CG-SD 4.27Å; L259-M277 HydrophobicContact CD1-SD 4.31Å; L259-M277 HydrophobicContact CD2-CE 4.23Å; L259-M277 HydrophobicContact CD2-SD 3.95Å; L259-M277 HydrophobicContact CG-SD 4.31Å; L272-M277 HydrophobicContact CB-CG 3.85Å; L272-M277 HydrophobicContact CB-SD 4.17Å; L272-M277 HydrophobicContact CD1-CG 4.32Å; L272-M277 HydrophobicContact CD1-SD 3.77Å; S273-M277 PolarHBondContact O-N 3.06Å; P274-M277 WeakPolarHBondContact O-CB 3.42Å; P274-M277 PolarHBondContact O-N 3.06Å; M277-N279 VanDerWaalsContact C-N 3.27Å; M277-N279 PolarHBondContact O-N 3.28Å; M277-M280 HydrophobicContact CE-CE 4.13Å; M277-M280 WeakPolarHBondContact O-CB 3.32Å; M277-M280 PolarHBondContact O-N 2.94Å; M277-M280 VanDerWaalsContact O-N 3.09Å; M277-M280 HydrophobicContact SD-CE 3.62Å; M277-Y281 HydrophobicContact CB-CE2 4.3Å; M277-Y281 HydrophobicContact CE-CE2 3.92Å; M277-Y281 WeakPolarHBondContact CE-OH 3.5Å; M277-Y281 WeakPolarHBondContact O-CD2 3.47Å; M277-Y281 PolarHBondContact O-N 2.81Å; M277-F297 HydrophobicContact CB-CD1 4.49Å; M277-F297 HydrophobicContact CB-CE1 3.9Å
278A97.6Very high97.4Very high3 Ų356 Ų563%0.02531%0.308CS..Hα-helixtrans-56.4-41.4177.100000112.3P274 D275 Y281 K282 F297P274-A278 PolarHBondContact O-N 3.06Å; D275-A278 PolarHBondContact O-N 3.27Å; A278-Y281 PolarHBondContact O-N 3.03Å; A278-K282 WeakPolarHBondContact O-CG 3.38Å; A278-K282 PolarHBondContact O-N 2.73Å; A278-F297 HydrophobicContact CB-CE1 4.35Å; A278-F297 HydrophobicContact CB-CZ 3.84Å
279N97.3Very high97.5Very high81 Ų8153.5 Ų53.543%0.43330%0.301SS..Hα-helixtrans-68-37.3177.2-73-27.7000112.6D275 A276 M277 K282 Q283D275-N279 WeakPolarHBondContact O-CB 3.49Å; D275-N279 VanDerWaalsContact O-CG 3.28Å; D275-N279 PolarHBondContact O-N 2.77Å; D275-N279 PolarHBondContact O-ND2 3.37Å; A276-N279 PolarHBondContact O-N 2.6Å; M277-N279 VanDerWaalsContact C-N 3.27Å; M277-N279 PolarHBondContact O-N 3.28Å; N279-K282 PolarHBondContact O-N 2.95Å; N279-Q283 WeakPolarHBondContact O-CG 3.3Å; N279-Q283 PolarHBondContact O-N 3.09Å
280M97.4Very high97.6Very high28 Ų2848.3 Ų48.314%0.13827%0.265CS..Hα-helixtrans-60.6-45.7173.2-179.6-177.360.900111M165 L259 L272 A276 M277 K282 Q283 M284M165-M280 HydrophobicContact CE-CE 3.31Å; M165-M280 HydrophobicContact CE-SD 4.28Å; L259-M280 HydrophobicContact CD1-CE 3.88Å; L259-M280 HydrophobicContact CD1-SD 3.82Å; L272-M280 HydrophobicContact CD1-SD 4.5Å; A276-M280 PolarHBondContact O-N 3.01Å; M277-M280 HydrophobicContact CE-CE 4.13Å; M277-M280 WeakPolarHBondContact O-CB 3.32Å; M277-M280 PolarHBondContact O-N 2.94Å; M277-M280 VanDerWaalsContact O-N 3.09Å; M277-M280 HydrophobicContact SD-CE 3.62Å; M280-K282 PolarHBondContact O-N 3Å; M280-Q283 WeakPolarHBondContact O-CB 3.28Å; M280-Q283 PolarHBondContact O-N 2.82Å; M280-M284 HydrophobicContact CE-CE 4.4Å; M280-M284 HydrophobicContact CG-CE 3.74Å; M280-M284 HydrophobicContact CG-SD 4.35Å; M280-M284 WeakPolarHBondContact O-CG 3.42Å; M280-M284 PolarHBondContact O-N 2.95Å; M280-M284 HydrophobicContact SD-CE 3.84Å
281Y98.3Very high97.8Very high0 Ų045.6 Ų45.60%025%0.248CC..Hα-helixtrans-61.6-44.6176.5-64.3-51000112.5M165 C246 M277 A278 Q283 M284 I285 I293 P296 F297 L308M165-Y281 HydrophobicContact CE-CD1 4.32Å; M165-Y281 HydrophobicContact CE-CE1 3.46Å; M165-Y281 VanDerWaalsContact CE-CE1 3.46Å; M165-Y281 HydrophobicContact SD-CE1 4.45Å; C246-Y281 WeakPolarHBondContact CB-OH 3.28Å; C246-Y281 WeakPolarHBondContact SG-CE1 3.41Å; C246-Y281 PolarHBondContact SG-OH 2.87Å; M277-Y281 HydrophobicContact CB-CE2 4.3Å; M277-Y281 HydrophobicContact CE-CE2 3.92Å; M277-Y281 WeakPolarHBondContact CE-OH 3.5Å; M277-Y281 WeakPolarHBondContact O-CD2 3.47Å; M277-Y281 PolarHBondContact O-N 2.81Å; A278-Y281 PolarHBondContact O-N 3.03Å; Y281-Q283 VanDerWaalsContact C-N 3.26Å; Y281-Q283 PolarHBondContact O-N 2.98Å; Y281-M284 HydrophobicContact CD1-SD 4.2Å; Y281-M284 WeakPolarHBondContact O-CB 3.5Å; Y281-M284 PolarHBondContact O-N 3.43Å; Y281-M284 VanDerWaalsContact O-N 3.12Å; Y281-I285 VanDerWaalsContact O-CG1 3.26Å; Y281-I285 WeakPolarHBondContact O-CG1 3.26Å; Y281-I285 PolarHBondContact O-N 3.21Å; Y281-I293 HydrophobicContact CD1-CD1 4.12Å; Y281-I293 HydrophobicContact CG-CD1 4.4Å; Y281-P296 HydrophobicContact CD2-CB 4Å; Y281-P296 HydrophobicContact CE2-CB 3.57Å; Y281-P296 VanDerWaalsContact CE2-O 3.25Å; Y281-P296 WeakPolarHBondContact CE2-O 3.4Å; Y281-P296 PolarHBondContact OH-O 2.88Å; Y281-P296 VanDerWaalsContact OH-O 3.11Å; Y281-F297 HydrophobicContact CD2-CZ 4.38Å; Y281-F297 HydrophobicContact CE2-CE1 4.29Å; Y281-F297 HydrophobicContact CE2-CZ 4.44Å; Y281-L308 HydrophobicContact CD2-CD2 3.92Å; Y281-L308 HydrophobicContact CG-CD2 4.38Å
282K97.8Very high97.8Very high81 Ų8143.9 Ų43.935%0.35224%0.241SC..Hα-helixtrans-57.2-41174.5-70.8167.7-177.4172.60111.9A278 N279 M280 S286 L308 S311A278-K282 WeakPolarHBondContact O-CG 3.38Å; A278-K282 PolarHBondContact O-N 2.73Å; N279-K282 PolarHBondContact O-N 2.95Å; M280-K282 PolarHBondContact O-N 3Å; K282-S286 WeakPolarHBondContact O-CB 3.48Å; K282-S286 PolarHBondContact O-N 2.89Å; K282-L308 HydrophobicContact CG-CD1 4.34Å; K282-S311 WeakPolarHBondContact CE-OG 3.32Å
283Q97.5Very high97.9Very high102 Ų10241.5 Ų41.548%0.47723%0.229SC..Hα-helixtrans-65-42.8175.5-71.6177.520.200112M221 N279 M280 Y281 S286 K287M221-Q283 HydrophobicContact CE-CB 4.05Å; N279-Q283 WeakPolarHBondContact O-CG 3.3Å; N279-Q283 PolarHBondContact O-N 3.09Å; M280-Q283 WeakPolarHBondContact O-CB 3.28Å; M280-Q283 PolarHBondContact O-N 2.82Å; Y281-Q283 VanDerWaalsContact C-N 3.26Å; Y281-Q283 PolarHBondContact O-N 2.98Å; Q283-S286 PolarHBondContact O-N 2.74Å; Q283-S286 PolarHBondContact O-OG 3.16Å; Q283-K287 WeakPolarHBondContact O-CG 3.44Å; Q283-K287 PolarHBondContact O-N 2.96Å
284M97.9Very high97.9Very high0 Ų039 Ų390%021%0.211CC..Hα-helixtrans-60-49.9175.8-68.7172.5172.300111M165 N220 M221 L224 M244 M280 Y281 S286 K287 F288 I290M165-M284 HydrophobicContact CE-CE 3.87Å; M165-M284 HydrophobicContact CE-SD 4.17Å; M165-M284 HydrophobicContact SD-CE 4.32Å; N220-M284 HydrophobicContact CB-CE 3.55Å; M221-M284 HydrophobicContact CE-CB 4.35Å; M221-M284 HydrophobicContact CE-CE 4.26Å; M221-M284 HydrophobicContact CE-CG 3.4Å; M221-M284 HydrophobicContact CG-CE 4.3Å; M221-M284 HydrophobicContact SD-CE 4.37Å; M221-M284 HydrophobicContact SD-CG 3.7Å; L224-M284 HydrophobicContact CD1-CB 4.07Å; L224-M284 HydrophobicContact CD1-CG 3.91Å; L224-M284 HydrophobicContact CD1-SD 4.19Å; M244-M284 HydrophobicContact CE-SD 3.95Å; M244-M284 HydrophobicContact SD-SD 4.42Å; M280-M284 HydrophobicContact CE-CE 4.4Å; M280-M284 HydrophobicContact CG-CE 3.74Å; M280-M284 HydrophobicContact CG-SD 4.35Å; M280-M284 WeakPolarHBondContact O-CG 3.42Å; M280-M284 PolarHBondContact O-N 2.95Å; M280-M284 HydrophobicContact SD-CE 3.84Å; Y281-M284 HydrophobicContact CD1-SD 4.2Å; Y281-M284 WeakPolarHBondContact O-CB 3.5Å; Y281-M284 PolarHBondContact O-N 3.43Å; Y281-M284 VanDerWaalsContact O-N 3.12Å; M284-S286 PolarHBondContact O-N 3.16Å; M284-K287 PolarHBondContact O-N 3.21Å; M284-F288 WeakPolarHBondContact O-CD2 2.95Å; M284-F288 PolarHBondContact O-N 3.3Å; M284-I290 HydrophobicContact CB-CD1 3.68Å
285I98Very high98Very high36 Ų3637.5 Ų37.519%0.18520%0.202CC..Hα-helixtrans-58.3-36.6178.2-64.9164.4000111.3Y281 K287 I290 I293 T312 I314Y281-I285 VanDerWaalsContact O-CG1 3.26Å; Y281-I285 WeakPolarHBondContact O-CG1 3.26Å; Y281-I285 PolarHBondContact O-N 3.21Å; I285-K287 VanDerWaalsContact C-N 3.3Å; I285-K287 PolarHBondContact O-N 3.32Å; I285-I290 HydrophobicContact CG1-CB 4.44Å; I285-I290 HydrophobicContact CG1-CG2 4.33Å; I285-I293 HydrophobicContact CD1-CD1 3.93Å; I285-I293 HydrophobicContact CG1-CD1 4Å; I285-T312 HydrophobicContact CD1-CG2 4.45Å; I285-I314 HydrophobicContact CD1-CD1 3.58Å; I285-I314 HydrophobicContact CD1-CG1 4.16Å; I285-I314 HydrophobicContact CG1-CD1 3.92Å; I285-I314 HydrophobicContact CG2-CG2 4.13Å
286S97.5Very high98Very high94 Ų9433.2 Ų33.266%0.65718%0.179SC*.Hα-helixtrans-72.9-20.8179.173.30000114.2K282 Q283 M284K282-S286 WeakPolarHBondContact O-CB 3.48Å; K282-S286 PolarHBondContact O-N 2.89Å; Q283-S286 PolarHBondContact O-N 2.74Å; Q283-S286 PolarHBondContact O-OG 3.16Å; M284-S286 PolarHBondContact O-N 3.16Å
287K97.6Very high98.1Very high130 Ų13031.5 Ų31.557%0.56517%0.165SC*.Hα-helixtrans-105.2-27.7-173.1-72.1-179.3179.9-1800113.9Q283 M284 I285Q283-K287 WeakPolarHBondContact O-CG 3.44Å; Q283-K287 PolarHBondContact O-N 2.96Å; M284-K287 PolarHBondContact O-N 3.21Å; I285-K287 VanDerWaalsContact C-N 3.3Å; I285-K287 PolarHBondContact O-N 3.32Å
288F98.1Very high98.1Very high19 Ų1932.4 Ų32.48%0.08317%0.17CC..SBendtrans-125.1156.1-173.8-60.9-77.9000110.5M221 L224 Q225 M284 I290M221-F288 HydrophobicContact SD-CD2 4.49Å; M221-F288 HydrophobicContact SD-CE2 3.67Å; L224-F288 HydrophobicContact CB-CD1 3.78Å; L224-F288 HydrophobicContact CB-CD2 3.82Å; L224-F288 HydrophobicContact CB-CE1 3.73Å; L224-F288 HydrophobicContact CB-CE2 3.76Å; L224-F288 HydrophobicContact CB-CG 3.82Å; L224-F288 HydrophobicContact CB-CZ 3.72Å; L224-F288 HydrophobicContact CD1-CD2 3.53Å; L224-F288 HydrophobicContact CD1-CE2 3.81Å; L224-F288 HydrophobicContact CD1-CG 4.12Å; L224-F288 HydrophobicContact CG-CD2 4.25Å; L224-F288 HydrophobicContact CG-CE2 4.44Å; L224-F288 HydrophobicContact CG-CG 4.44Å; Q225-F288 HydrophobicContact CG-CE1 4.04Å; Q225-F288 HydrophobicContact CG-CZ 3.85Å; M284-F288 WeakPolarHBondContact O-CD2 2.95Å; M284-F288 PolarHBondContact O-N 3.3Å; F288-I290 HydrophobicContact CB-CD1 4.13Å; F288-I290 HydrophobicContact CB-CG1 4Å; F288-I290 PolarHBondContact O-N 2.91Å
289P97.7Very high98.1Very high49 Ų4933.1 Ų33.132%0.31817%0.173SC..  trans-72.953.4177.731.7-37000112.3E241 I242E241-P289 VanDerWaalsContact OE2-CB 3.29Å; E241-P289 WeakPolarHBondContact OE2-CB 3.33Å; I242-P289 HydrophobicContact CD1-CG 4.18Å; I242-P289 HydrophobicContact CG1-CG 4.37Å; I242-P289 PolarHBondContact N-O 3Å
290I98.6Very high98.2Very high6 Ų632.7 Ų32.73%0.03117%0.17CC..EExtended strand (participates in β ladder)trans-79.7123.8179.9-64.7167.1000108.9L224 I242 M244 M284 I285 F288 I293 I314L224-I290 HydrophobicContact CD1-CD1 3.97Å; L224-I290 HydrophobicContact CD2-CD1 4.19Å; L224-I290 HydrophobicContact CD2-CG1 4.43Å; I242-I290 HydrophobicContact CB-CG1 4.19Å; I242-I290 HydrophobicContact CG2-CG1 4.04Å; I242-I290 CarbonylContact O-C 3.39Å; I242-I290 WeakPolarHBondContact O-CA 3.49Å; M244-I290 HydrophobicContact SD-CD1 3.64Å; M244-I290 HydrophobicContact SD-CG1 4.34Å; M284-I290 HydrophobicContact CB-CD1 3.68Å; I285-I290 HydrophobicContact CG1-CB 4.44Å; I285-I290 HydrophobicContact CG1-CG2 4.33Å; F288-I290 HydrophobicContact CB-CD1 4.13Å; F288-I290 HydrophobicContact CB-CG1 4Å; F288-I290 PolarHBondContact O-N 2.91Å; I290-I293 HydrophobicContact CG2-CD1 4.12Å; I290-I293 HydrophobicContact CG2-CG1 3.73Å; I290-I314 HydrophobicContact CG2-CD1 4.03Å; I290-I314 WeakPolarHBondContact O-CG2 3.38Å
291V98.7Very high98.1Very high31 Ų3132.5 Ų32.519%0.18817%0.17CC..EExtended strand (participates in β ladder)trans-116.9-9.4179.3-62.90000113.4E241 I242 Q315 F429E241-V291 HydrophobicContact CB-CB 4.3Å; E241-V291 HydrophobicContact CB-CG1 3.77Å; E241-V291 HydrophobicContact CB-CG2 3.53Å; E241-V291 HydrophobicContact CG-CG1 3.85Å; E241-V291 HydrophobicContact CG-CG2 4.2Å; I242-V291 PolarHBondContact O-N 3Å; V291-Q315 WeakPolarHBondContact O-CB 3.36Å; V291-Q315 PolarHBondContact O-N 3.32Å; V291-F429 HydrophobicContact CB-CZ 4.31Å; V291-F429 HydrophobicContact CG2-CE1 4.27Å; V291-F429 HydrophobicContact CG2-CZ 3.99Å
292S98.9Very high98.1Very high1 Ų134.7 Ų34.71%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-148.8132.8179-168.40000111.7G243 M244 Q315 V317G243-S292 CarbonylContact C-O 3.19Å; G243-S292 VanDerWaalsContact CA-O 3.28Å; G243-S292 WeakPolarHBondContact CA-O 3.39Å; M244-S292 PolarHBondContact N-O 2.98Å; S292-Q315 CarbonylContact C-O 3.01Å; S292-Q315 VanDerWaalsContact CA-O 3.29Å; S292-Q315 WeakPolarHBondContact CA-O 3.38Å; S292-Q315 PolarHBondContact OG-NE2 3.33Å; S292-V317 WeakPolarHBondContact OG-CG2 3.14Å
293I98.9Very high98Very high0 Ų037.5 Ų37.50%019%0.192CC..EExtended strand (participates in β ladder)trans-128.6126.2168.1-61.8178.4000108.6M244 Y281 I285 I290 P296 I314 Q315 I316 V317M244-I293 CarbonylContact O-C 3.56Å; M244-I293 WeakPolarHBondContact O-CA 3.29Å; Y281-I293 HydrophobicContact CD1-CD1 4.12Å; Y281-I293 HydrophobicContact CG-CD1 4.4Å; I285-I293 HydrophobicContact CD1-CD1 3.93Å; I285-I293 HydrophobicContact CG1-CD1 4Å; I290-I293 HydrophobicContact CG2-CD1 4.12Å; I290-I293 HydrophobicContact CG2-CG1 3.73Å; I293-P296 HydrophobicContact CG2-CB 3.99Å; I293-P296 HydrophobicContact CG2-CG 4.47Å; I293-I314 HydrophobicContact CB-CD1 4.24Å; I293-I314 HydrophobicContact CD1-CD1 3.86Å; I293-I314 HydrophobicContact CG1-CD1 3.68Å; I293-Q315 PolarHBondContact N-O 3.05Å; I293-I316 HydrophobicContact CB-CD1 4.26Å; I293-I316 CarbonylContact O-C 3.53Å; I293-I316 VanDerWaalsContact O-CA 3.29Å; I293-I316 WeakPolarHBondContact O-CA 3.46Å; I293-V317 PolarHBondContact O-N 2.81Å
294E98.9Very high98Very high1 Ų132.9 Ų32.91%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-103.4142.7175.8-179.2-178.1143.200110.8M244 D245 C246 P296 V317 D319 L342 K395M244-E294 PolarHBondContact O-N 3.05Å; D245-E294 HydrophobicContact CB-CB 3.95Å; D245-E294 HydrophobicContact CB-CG 4.23Å; C246-E294 PolarHBondContact N-O 2.95Å; E294-P296 VanDerWaalsContact C-CD 3.42Å; E294-V317 WeakPolarHBondContact CA-O 3.47Å; E294-V317 HydrophobicContact CB-CB 3.74Å; E294-V317 HydrophobicContact CB-CG1 4.38Å; E294-V317 HydrophobicContact CB-CG2 4.29Å; E294-V317 HydrophobicContact CG-CB 3.89Å; E294-V317 HydrophobicContact CG-CG1 4.06Å; E294-D319 HydrophobicContact CG-CB 3.89Å; E294-D319 WeakPolarHBondContact OE1-CB 2.92Å; E294-L342 WeakPolarHBondContact OE1-CD2 3.32Å; E294-L342 WeakPolarHBondContact OE2-CD1 3.37Å; E294-K395 IonicContact OE1-NZ 3.59Å; E294-K395 PolarHBondContact OE1-NZ 2.87Å; E294-K395 WeakPolarHBondContact OE2-CE 3.36Å; E294-K395 IonicContact OE2-NZ 3.5Å; E294-K395 PolarHBondContact OE2-NZ 2.65Å
295D98.6Very high98Very high0 Ų032.9 Ų32.90%017%0.171CC..  trans40.954.2178.6-755.5000114.9C246 A248 F297 W305 V317 D319 D320C246-D295 WeakPolarHBondContact CB-O 3.1Å; A248-D295 WeakPolarHBondContact CB-O 3.45Å; A248-D295 PolarHBondContact N-O 3.41Å; A248-D295 VanDerWaalsContact N-O 3.08Å; D295-F297 PolarHBondContact O-N 3.39Å; D295-W305 HydrophobicContact CB-CH2 4.43Å; D295-W305 HydrophobicContact CB-CZ2 4.47Å; D295-W305 VanDerWaalsContact OD1-CH2 3.27Å; D295-W305 WeakPolarHBondContact OD1-CH2 3.29Å; D295-V317 PolarHBondContact N-O 2.63Å; D295-V317 VanDerWaalsContact N-O 3.13Å; D295-D319 PolarHBondContact OD1-N 2.75Å; D295-D319 WeakPolarHBondContact OD2-CB 3.33Å; D295-D320 VanDerWaalsContact OD2-CB 3.27Å; D295-D320 WeakPolarHBondContact OD2-CB 3.45Å; D295-D320 PolarHBondContact OD2-N 3.48Å
296P98.6Very high98.1Very high0 Ų032.6 Ų32.60%017%0.171CC..  trans-63-20.5178.126.8-36.2000113.6A248 Y281 I293 E294 W305 L308 I316A248-P296 WeakPolarHBondContact CB-O 3.31Å; Y281-P296 HydrophobicContact CD2-CB 4Å; Y281-P296 HydrophobicContact CE2-CB 3.57Å; Y281-P296 VanDerWaalsContact CE2-O 3.25Å; Y281-P296 WeakPolarHBondContact CE2-O 3.4Å; Y281-P296 PolarHBondContact OH-O 2.88Å; Y281-P296 VanDerWaalsContact OH-O 3.11Å; I293-P296 HydrophobicContact CG2-CB 3.99Å; I293-P296 HydrophobicContact CG2-CG 4.47Å; E294-P296 VanDerWaalsContact C-CD 3.42Å; P296-W305 HydrophobicContact CG-CE3 4.15Å; P296-W305 HydrophobicContact CG-CH2 4.32Å; P296-W305 HydrophobicContact CG-CZ3 4.03Å; P296-L308 HydrophobicContact CB-CD2 3.61Å; P296-L308 HydrophobicContact CG-CD2 3.8Å; P296-I316 HydrophobicContact CG-CG2 4.2Å
297F98.7Very high98.1Very high0 Ų031.9 Ų31.90%016%0.157CC..SBendtrans-137.9168-179.6-54.8-67.3000110.1Y257 M277 A278 Y281 D295 D301 T304 W305 L308Y257-F297 HydrophobicContact CE2-CD1 4.17Å; Y257-F297 AromaticContact CZ-CD1 3.99Å; Y257-F297 WeakPolarHBondContact OH-CA 3.29Å; Y257-F297 VanDerWaalsContact OH-CB 3.32Å; Y257-F297 WeakPolarHBondContact OH-CB 3.44Å; M277-F297 HydrophobicContact CB-CD1 4.49Å; M277-F297 HydrophobicContact CB-CE1 3.9Å; A278-F297 HydrophobicContact CB-CE1 4.35Å; A278-F297 HydrophobicContact CB-CZ 3.84Å; Y281-F297 HydrophobicContact CD2-CZ 4.38Å; Y281-F297 HydrophobicContact CE2-CE1 4.29Å; Y281-F297 HydrophobicContact CE2-CZ 4.44Å; D295-F297 PolarHBondContact O-N 3.39Å; F297-D301 HydrophobicContact CB-CB 4.25Å; F297-T304 HydrophobicContact CD1-CG2 3.72Å; F297-T304 HydrophobicContact CD2-CG2 4.03Å; F297-T304 HydrophobicContact CE1-CG2 3.46Å; F297-T304 VanDerWaalsContact CE1-CG2 3.46Å; F297-T304 HydrophobicContact CE2-CG2 3.77Å; F297-T304 HydrophobicContact CG-CG2 4.01Å; F297-T304 HydrophobicContact CZ-CG2 3.49Å; F297-T304 VanDerWaalsContact CZ-CG2 3.49Å; F297-W305 HydrophobicContact CB-CG 4.37Å; F297-W305 HydrophobicContact CD2-CD2 4.38Å; F297-W305 HydrophobicContact CD2-CG 4.13Å; F297-W305 WeakPolarHBondContact O-CZ2 3.31Å; F297-W305 PolarHBondContact O-NE1 2.75Å; F297-L308 HydrophobicContact CE2-CB 3.58Å; F297-L308 HydrophobicContact CE2-CD2 3.77Å; F297-L308 HydrophobicContact CE2-CG 4.32Å; F297-L308 HydrophobicContact CZ-CB 4Å; F297-L308 HydrophobicContact CZ-CD2 4.05Å
298D98.3Very high98.1Very high18 Ų1825.7 Ų25.710%0.09613%0.13CC..  trans-56.6147178.1176.788.3000112.3H252 Y257 D300 D301 W305H252-D298 HydrophobicContact CB-CB 3.83Å; H252-D298 IonicContact CE1-OD1 3.57Å; H252-D298 IonicContact CG-OD1 2.75Å; H252-D298 WeakPolarHBondContact ND1-CB 3.5Å; H252-D298 IonicContact ND1-OD1 2.54Å; H252-D298 PolarHBondContact ND1-OD1 3.37Å; H252-D298 IonicContact ND1-OD2 2.79Å; Y257-D298 HydrophobicContact CE1-CB 4.3Å; Y257-D298 PolarHBondContact OH-N 3.03Å; D298-D300 PolarHBondContact O-N 2.75Å; D298-D300 PolarHBondContact OD2-N 3.47Å; D298-D301 HydrophobicContact CB-CB 4.12Å; D298-D301 PolarHBondContact O-N 3.39Å; D298-W305 PolarHBondContact O-NE1 2.71Å
299Q98Very high98.1Very high19 Ų1925.7 Ų25.79%0.08913%0.131CC..THydrogen-bonded Turntrans-54.7-17.7-179.366.3-165.6-25.900115.3G42 S249 D320 L321 R328G42-Q299 VanDerWaalsContact CA-OE1 3.24Å; S249-Q299 PolarHBondContact OG-N 2.96Å; Q299-D320 HydrophobicContact CB-CB 3.9Å; Q299-L321 WeakPolarHBondContact O-CD1 3.27Å; Q299-R328 PolarHBondContact O-NH2 3.18Å
300D97.8Very high98.1Very high71 Ų7128.2 Ų28.238%0.3815%0.15SC..THydrogen-bonded Turntrans-120.17177.2-70.2-49.8000113.9H44 D298 W302 R328H44-D300 IonicContact CE1-OD1 3.04Å; H44-D300 IonicContact CE1-OD2 3.67Å; H44-D300 IonicContact NE2-OD1 3.41Å; H44-D300 PolarHBondContact NE2-OD1 3.02Å; H44-D300 IonicContact NE2-OD2 2.82Å; H44-D300 PolarHBondContact NE2-OD2 3.23Å; D298-D300 PolarHBondContact O-N 2.75Å; D298-D300 PolarHBondContact OD2-N 3.47Å; D300-W302 VanDerWaalsContact O-CD1 3.22Å; D300-W302 PolarHBondContact O-N 3.32Å; D300-R328 IonicContact OD1-CZ 3.6Å; D300-R328 IonicContact OD1-NH1 2.77Å; D300-R328 PolarHBondContact OD1-NH1 2.95Å; D300-R328 IonicContact OD1-NH2 3.22Å; D300-R328 PolarHBondContact OD1-NH2 3.17Å
301D96.6Very high98.1Very high24 Ų2430.5 Ų30.513%0.12817%0.166CC..  trans-7953.4175.2-170.2-5.9000112.5Y257 F297 D298 E303 T304 W305Y257-D301 PolarHBondContact OH-OD2 3.29Å; F297-D301 HydrophobicContact CB-CB 4.25Å; D298-D301 HydrophobicContact CB-CB 4.12Å; D298-D301 PolarHBondContact O-N 3.39Å; D301-E303 PolarHBondContact O-N 3.18Å; D301-T304 VanDerWaalsContact CG-OG1 3.24Å; D301-T304 PolarHBondContact O-N 3.09Å; D301-T304 VanDerWaalsContact OD1-CB 3.24Å; D301-T304 WeakPolarHBondContact OD1-CB 3.45Å; D301-T304 PolarHBondContact OD1-N 2.96Å; D301-T304 PolarHBondContact OD1-OG1 3.31Å; D301-T304 WeakPolarHBondContact OD2-CB 3.47Å; D301-T304 PolarHBondContact OD2-OG1 3.07Å; D301-T304 VanDerWaalsContact OD2-OG1 3.08Å; D301-W305 VanDerWaalsContact O-CD1 3.22Å; D301-W305 PolarHBondContact O-N 3.2Å
302W97.6Very high98Very high46 Ų4630.1 Ų30.117%0.17416%0.164CC..THydrogen-bonded Turntrans-57.1-16.4-175.8-67.9101000114.8D300 P306 L321 R328 Q331 A332 A337D300-W302 VanDerWaalsContact O-CD1 3.22Å; D300-W302 PolarHBondContact O-N 3.32Å; W302-P306 WeakPolarHBondContact O-CD 3.31Å; W302-L321 HydrophobicContact CD2-CD1 4.13Å; W302-L321 HydrophobicContact CE3-CD1 3.92Å; W302-L321 HydrophobicContact CH2-CD1 3.6Å; W302-L321 HydrophobicContact CH2-CG 3.98Å; W302-L321 HydrophobicContact CZ2-CD1 3.82Å; W302-L321 HydrophobicContact CZ3-CD1 3.62Å; W302-L321 HydrophobicContact CZ3-CD2 4.27Å; W302-L321 HydrophobicContact CZ3-CG 4.07Å; W302-R328 VanDerWaalsContact CZ2-NH2 3.28Å; W302-Q331 HydrophobicContact CD2-CG 4.4Å; W302-Q331 HydrophobicContact CE3-CG 4.22Å; W302-Q331 HydrophobicContact CH2-CB 4.06Å; W302-Q331 HydrophobicContact CH2-CG 3.78Å; W302-Q331 HydrophobicContact CZ2-CB 4.48Å; W302-Q331 VanDerWaalsContact CZ2-CD 3.44Å; W302-Q331 HydrophobicContact CZ2-CG 3.97Å; W302-Q331 HydrophobicContact CZ3-CB 4.46Å; W302-Q331 HydrophobicContact CZ3-CG 3.94Å; W302-A332 HydrophobicContact CH2-CB 3.96Å; W302-A332 HydrophobicContact CZ3-CB 3.65Å; W302-A337 HydrophobicContact CE3-CB 4.09Å; W302-A337 HydrophobicContact CZ3-CB 3.99Å
303E96.5Very high97.9Very high140 Ų14037.3 Ų37.365%0.65420%0.203SC*.THydrogen-bonded Turntrans-80.8-38.1177.3-161.2-163.713400112.3D301 K307D301-E303 PolarHBondContact O-N 3.18Å; E303-K307 WeakPolarHBondContact O-CE 3.49Å; E303-K307 IonicContact OE1-NZ 3.45Å; E303-K307 PolarHBondContact OE1-NZ 3.26Å
304T97.1Very high97.9Very high5 Ų538.2 Ų38.23%0.03121%0.208CC..THydrogen-bonded Turntrans-86.4-35.8-173.3-51.20000112.5P274 F297 D301 K307 L308P274-T304 HydrophobicContact CB-CG2 3.6Å; P274-T304 VanDerWaalsContact CB-OG1 3.31Å; P274-T304 WeakPolarHBondContact CB-OG1 3.49Å; F297-T304 HydrophobicContact CD1-CG2 3.72Å; F297-T304 HydrophobicContact CD2-CG2 4.03Å; F297-T304 HydrophobicContact CE1-CG2 3.46Å; F297-T304 VanDerWaalsContact CE1-CG2 3.46Å; F297-T304 HydrophobicContact CE2-CG2 3.77Å; F297-T304 HydrophobicContact CG-CG2 4.01Å; F297-T304 HydrophobicContact CZ-CG2 3.49Å; F297-T304 VanDerWaalsContact CZ-CG2 3.49Å; D301-T304 VanDerWaalsContact CG-OG1 3.24Å; D301-T304 PolarHBondContact O-N 3.09Å; D301-T304 VanDerWaalsContact OD1-CB 3.24Å; D301-T304 WeakPolarHBondContact OD1-CB 3.45Å; D301-T304 PolarHBondContact OD1-N 2.96Å; D301-T304 PolarHBondContact OD1-OG1 3.31Å; D301-T304 WeakPolarHBondContact OD2-CB 3.47Å; D301-T304 PolarHBondContact OD2-OG1 3.07Å; D301-T304 VanDerWaalsContact OD2-OG1 3.08Å; T304-K307 VanDerWaalsContact O-CB 3.31Å; T304-K307 WeakPolarHBondContact O-CB 3.23Å; T304-K307 PolarHBondContact O-N 3.18Å; T304-L308 PolarHBondContact O-N 3.19Å
305W98.6Very high97.9Very high0 Ų038.2 Ų38.20%021%0.207CC..Hα-helixtrans-47.7-53178.5-84.891.2000113.7D295 P296 F297 D298 D301 K307 L308 T309 I316 V317 L321 A337 C338D295-W305 HydrophobicContact CB-CH2 4.43Å; D295-W305 HydrophobicContact CB-CZ2 4.47Å; D295-W305 VanDerWaalsContact OD1-CH2 3.27Å; D295-W305 WeakPolarHBondContact OD1-CH2 3.29Å; P296-W305 HydrophobicContact CG-CE3 4.15Å; P296-W305 HydrophobicContact CG-CH2 4.32Å; P296-W305 HydrophobicContact CG-CZ3 4.03Å; F297-W305 HydrophobicContact CB-CG 4.37Å; F297-W305 HydrophobicContact CD2-CD2 4.38Å; F297-W305 HydrophobicContact CD2-CG 4.13Å; F297-W305 WeakPolarHBondContact O-CZ2 3.31Å; F297-W305 PolarHBondContact O-NE1 2.75Å; D298-W305 PolarHBondContact O-NE1 2.71Å; D301-W305 VanDerWaalsContact O-CD1 3.22Å; D301-W305 PolarHBondContact O-N 3.2Å; W305-K307 VanDerWaalsContact C-N 3.26Å; W305-K307 PolarHBondContact O-N 3.26Å; W305-L308 PolarHBondContact O-N 2.78Å; W305-T309 PolarHBondContact O-N 2.97Å; W305-T309 VanDerWaalsContact O-N 3.09Å; W305-T309 PolarHBondContact O-OG1 3.37Å; W305-I316 HydrophobicContact CE3-CG2 4.02Å; W305-I316 HydrophobicContact CZ3-CG2 3.8Å; W305-V317 WeakPolarHBondContact CH2-O 3.37Å; W305-L321 HydrophobicContact CD2-CD1 4.44Å; W305-L321 HydrophobicContact CD2-CD2 3.6Å; W305-L321 HydrophobicContact CD2-CG 4.48Å; W305-L321 HydrophobicContact CE3-CD2 3.63Å; W305-L321 HydrophobicContact CG-CD2 4.21Å; W305-L321 HydrophobicContact CH2-CB 3.91Å; W305-L321 HydrophobicContact CH2-CD2 3.79Å; W305-L321 HydrophobicContact CH2-CG 4.42Å; W305-L321 HydrophobicContact CZ2-CB 3.64Å; W305-L321 HydrophobicContact CZ2-CD1 4.38Å; W305-L321 HydrophobicContact CZ2-CD2 3.84Å; W305-L321 HydrophobicContact CZ2-CG 4.14Å; W305-L321 HydrophobicContact CZ3-CD2 3.72Å; W305-A337 CarbonylContact C-O 3.54Å; W305-A337 HydrophobicContact CB-CB 3.76Å; W305-A337 HydrophobicContact CG-CB 4.41Å; W305-C338 HydrophobicContact CE3-CB 4.03Å; W305-C338 HydrophobicContact CZ3-CB 3.83Å
306P98.3Very high97.9Very high30 Ų3038.2 Ų38.220%0.19521%0.207CC..Hα-helixtrans-63.6-27.5178.8-2133.1000114.1W302 S310 S335W302-P306 WeakPolarHBondContact O-CD 3.31Å; P306-S310 VanDerWaalsContact O-CB 3.29Å; P306-S310 WeakPolarHBondContact O-CB 3.29Å; P306-S310 PolarHBondContact O-N 2.99Å; P306-S310 PolarHBondContact O-OG 3.47Å; P306-S335 WeakPolarHBondContact CB-O 3.49Å; P306-S335 WeakPolarHBondContact CG-O 3.36Å
307K97.6Very high97.9Very high80 Ų8038.2 Ų38.235%0.34821%0.207SC..Hα-helixtrans-66.2-39.5179.3-60.2175.2-172.5166.30111.2E303 T304 W305 S310 S311E303-K307 WeakPolarHBondContact O-CE 3.49Å; E303-K307 IonicContact OE1-NZ 3.45Å; E303-K307 PolarHBondContact OE1-NZ 3.26Å; T304-K307 VanDerWaalsContact O-CB 3.31Å; T304-K307 WeakPolarHBondContact O-CB 3.23Å; T304-K307 PolarHBondContact O-N 3.18Å; W305-K307 VanDerWaalsContact C-N 3.26Å; W305-K307 PolarHBondContact O-N 3.26Å; K307-S310 PolarHBondContact O-OG 3.37Å; K307-S311 WeakPolarHBondContact O-CB 3.38Å; K307-S311 PolarHBondContact O-OG 3.42Å
308L98.1Very high97.9Very high0 Ų038.2 Ų38.20%021%0.207CC..Hα-helixtrans-74.3-48.8173.8-177.663.5000110.7Y281 K282 P296 F297 T304 W305 S310 S311 T312 I316Y281-L308 HydrophobicContact CD2-CD2 3.92Å; Y281-L308 HydrophobicContact CG-CD2 4.38Å; K282-L308 HydrophobicContact CG-CD1 4.34Å; P296-L308 HydrophobicContact CB-CD2 3.61Å; P296-L308 HydrophobicContact CG-CD2 3.8Å; F297-L308 HydrophobicContact CE2-CB 3.58Å; F297-L308 HydrophobicContact CE2-CD2 3.77Å; F297-L308 HydrophobicContact CE2-CG 4.32Å; F297-L308 HydrophobicContact CZ-CB 4Å; F297-L308 HydrophobicContact CZ-CD2 4.05Å; T304-L308 PolarHBondContact O-N 3.19Å; W305-L308 PolarHBondContact O-N 2.78Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 3.02Å; L308-S311 WeakPolarHBondContact O-CA 3.45Å; L308-S311 WeakPolarHBondContact O-CB 3.47Å; L308-S311 PolarHBondContact O-N 2.84Å; L308-S311 PolarHBondContact O-OG 2.93Å; L308-T312 PolarHBondContact O-N 2.68Å; L308-I316 HydrophobicContact CD2-CD1 4.25Å; L308-I316 HydrophobicContact CG-CD1 4.4Å
309T98.5Very high97.9Very high18 Ų1837.5 Ų37.511%0.1120%0.204CC..Hα-helixtrans-58.3-37.4-176.9-64.80000112.9W305 S311 A337W305-T309 PolarHBondContact O-N 2.97Å; W305-T309 VanDerWaalsContact O-N 3.09Å; W305-T309 PolarHBondContact O-OG1 3.37Å; T309-S311 VanDerWaalsContact C-N 3.29Å; T309-S311 PolarHBondContact O-N 3.43Å; T309-A337 WeakPolarHBondContact CB-O 3.49Å; T309-A337 PolarHBondContact OG1-O 3.46Å
310S97.8Very high97.9Very high103 Ų10336.7 Ų36.772%0.7220%0.2SC*.THydrogen-bonded Turntrans-75.5-13.5175.2590000114.6P306 K307 L308P306-S310 VanDerWaalsContact O-CB 3.29Å; P306-S310 WeakPolarHBondContact O-CB 3.29Å; P306-S310 PolarHBondContact O-N 2.99Å; P306-S310 PolarHBondContact O-OG 3.47Å; K307-S310 PolarHBondContact O-OG 3.37Å; L308-S310 VanDerWaalsContact C-N 3.28Å; L308-S310 PolarHBondContact O-N 3.02Å
311S97.3Very high97.9Very high53 Ų5333.3 Ų33.337%0.37118%0.182SC..THydrogen-bonded Turntrans-99.1-1-174.8740000114.6K282 K307 L308 T309K282-S311 WeakPolarHBondContact CE-OG 3.32Å; K307-S311 WeakPolarHBondContact O-CB 3.38Å; K307-S311 PolarHBondContact O-OG 3.42Å; L308-S311 WeakPolarHBondContact O-CA 3.45Å; L308-S311 WeakPolarHBondContact O-CB 3.47Å; L308-S311 PolarHBondContact O-N 2.84Å; L308-S311 PolarHBondContact O-OG 2.93Å; T309-S311 VanDerWaalsContact C-N 3.29Å; T309-S311 PolarHBondContact O-N 3.43Å
312T97.3Very high98Very high23 Ų2332.2 Ų32.214%0.14118%0.176CC..  trans-144.8156.8-177.8-172.80000111.4I285 L308 I314 I316I285-T312 HydrophobicContact CD1-CG2 4.45Å; L308-T312 PolarHBondContact O-N 2.68Å; T312-I314 HydrophobicContact CG2-CG1 3.68Å; T312-I314 PolarHBondContact OG1-N 2.7Å; T312-I316 HydrophobicContact CG2-CD1 4.09Å; T312-I316 HydrophobicContact CG2-CG1 4.31Å
313N96.7Very high98Very high153 Ų15330 Ų3082%0.81817%0.168SC*.SBendtrans-98.4-1.6176.2-67.6-38.8000113R430N313-R430 PolarHBondContact O-NH1 2.91Å
314I98.5Very high98.1Very high19 Ų1923.4 Ų23.410%0.09714%0.137CC..SBendtrans-70.5171.5-18072.5160.3000111.4I285 I290 I293 T312 I316 N339 R430I285-I314 HydrophobicContact CD1-CD1 3.58Å; I285-I314 HydrophobicContact CD1-CG1 4.16Å; I285-I314 HydrophobicContact CG1-CD1 3.92Å; I285-I314 HydrophobicContact CG2-CG2 4.13Å; I290-I314 HydrophobicContact CG2-CD1 4.03Å; I290-I314 WeakPolarHBondContact O-CG2 3.38Å; I293-I314 HydrophobicContact CB-CD1 4.24Å; I293-I314 HydrophobicContact CD1-CD1 3.86Å; I293-I314 HydrophobicContact CG1-CD1 3.68Å; T312-I314 HydrophobicContact CG2-CG1 3.68Å; T312-I314 PolarHBondContact OG1-N 2.7Å; I314-I316 HydrophobicContact CD1-CD1 4.06Å; I314-I316 HydrophobicContact CG1-CD1 3.96Å; I314-N339 PolarHBondContact O-ND2 2.87Å; I314-N339 VanDerWaalsContact O-ND2 3.13Å; I314-R430 PolarHBondContact O-NH2 3.05Å
315Q98.9Very high98.1Very high0 Ų024.3 Ų24.30%014%0.142CC..EExtended strand (participates in β ladder)trans-71.1130.2168.5-178.9168.8-87.100110.2V291 S292 I293 V317 N339 C340 R430V291-Q315 WeakPolarHBondContact O-CB 3.36Å; V291-Q315 PolarHBondContact O-N 3.32Å; S292-Q315 CarbonylContact C-O 3.01Å; S292-Q315 VanDerWaalsContact CA-O 3.29Å; S292-Q315 WeakPolarHBondContact CA-O 3.38Å; S292-Q315 PolarHBondContact OG-NE2 3.33Å; I293-Q315 PolarHBondContact N-O 3.05Å; Q315-V317 HydrophobicContact CG-CG2 3.74Å; Q315-N339 WeakPolarHBondContact CA-OD1 3.01Å; Q315-C340 VanDerWaalsContact CD-CB 3.49Å; Q315-C340 HydrophobicContact CG-CB 3.39Å; Q315-C340 PolarHBondContact OE1-SG 3.35Å; Q315-C340 VanDerWaalsContact OE1-SG 3.39Å; Q315-R430 HydrophobicContact CB-CG 4.49Å
316I98.9Very high98Very high0 Ų025.8 Ų25.80%015%0.151CC..EExtended strand (participates in β ladder)trans-114.7117.1168.2-56.7-61.7000106.7I293 P296 W305 L308 T312 I314 C338 N339 C340I293-I316 HydrophobicContact CB-CD1 4.26Å; I293-I316 CarbonylContact O-C 3.53Å; I293-I316 VanDerWaalsContact O-CA 3.29Å; I293-I316 WeakPolarHBondContact O-CA 3.46Å; P296-I316 HydrophobicContact CG-CG2 4.2Å; W305-I316 HydrophobicContact CE3-CG2 4.02Å; W305-I316 HydrophobicContact CZ3-CG2 3.8Å; L308-I316 HydrophobicContact CD2-CD1 4.25Å; L308-I316 HydrophobicContact CG-CD1 4.4Å; T312-I316 HydrophobicContact CG2-CD1 4.09Å; T312-I316 HydrophobicContact CG2-CG1 4.31Å; I314-I316 HydrophobicContact CD1-CD1 4.06Å; I314-I316 HydrophobicContact CG1-CD1 3.96Å; I316-C338 HydrophobicContact CB-CB 4.33Å; I316-C338 HydrophobicContact CG2-CB 3.89Å; I316-C338 WeakPolarHBondContact O-CB 3.48Å; I316-N339 PolarHBondContact N-OD1 2.79Å; I316-N339 PolarHBondContact O-N 3.42Å; I316-N339 PolarHBondContact O-OD1 3.45Å; I316-C340 PolarHBondContact O-N 3.07Å
317V98.9Very high98Very high0 Ų030.6 Ų30.60%017%0.169CC..EExtended strand (participates in β ladder)trans-101.1129.1-173.1-169.10000109.2S292 I293 E294 D295 W305 Q315 C340 L342S292-V317 WeakPolarHBondContact OG-CG2 3.14Å; I293-V317 PolarHBondContact O-N 2.81Å; E294-V317 WeakPolarHBondContact CA-O 3.47Å; E294-V317 HydrophobicContact CB-CB 3.74Å; E294-V317 HydrophobicContact CB-CG1 4.38Å; E294-V317 HydrophobicContact CB-CG2 4.29Å; E294-V317 HydrophobicContact CG-CB 3.89Å; E294-V317 HydrophobicContact CG-CG1 4.06Å; D295-V317 PolarHBondContact N-O 2.63Å; D295-V317 VanDerWaalsContact N-O 3.13Å; W305-V317 WeakPolarHBondContact CH2-O 3.37Å; Q315-V317 HydrophobicContact CG-CG2 3.74Å; V317-C340 CarbonylContact C-O 3.53Å; V317-C340 WeakPolarHBondContact CA-O 3.13Å; V317-C340 HydrophobicContact CB-CB 4.37Å; V317-C340 HydrophobicContact CG1-CB 4.43Å; V317-C340 HydrophobicContact CG2-CB 4Å; V317-L342 HydrophobicContact CG1-CB 3.71Å; V317-L342 HydrophobicContact CG1-CD1 4.07Å
318G98.7Very high98Very high0 Ų028 Ų280%016%0.157CC..EExtended strand (participates in β ladder)trans-95.8115.7168.200000110.7T322 C340 L342G318-T322 PolarHBondContact O-OG1 3.38Å; G318-C340 PolarHBondContact N-O 3.33Å; G318-L342 PolarHBondContact O-N 3.09Å
319D98.5Very high98Very high4 Ų428 Ų282%0.02116%0.157CC..SBendtrans-104-85172.5174.825.3000109.8E294 D295 L321 T322 V323 L342 K344 Q347E294-D319 HydrophobicContact CG-CB 3.89Å; E294-D319 WeakPolarHBondContact OE1-CB 2.92Å; D295-D319 PolarHBondContact OD1-N 2.75Å; D295-D319 WeakPolarHBondContact OD2-CB 3.33Å; D319-L321 PolarHBondContact O-N 2.82Å; D319-T322 PolarHBondContact O-N 3.31Å; D319-V323 WeakPolarHBondContact O-CA 3.42Å; D319-V323 PolarHBondContact O-N 3.28Å; D319-L342 HydrophobicContact CB-CB 3.83Å; D319-L342 HydrophobicContact CB-CD2 3.7Å; D319-L342 HydrophobicContact CB-CG 4.4Å; D319-L342 WeakPolarHBondContact OD1-CD2 3.31Å; D319-K344 WeakPolarHBondContact OD1-CD 3.2Å; D319-K344 IonicContact OD1-NZ 3.94Å; D319-K344 PolarHBondContact OD1-NZ 2.81Å; D319-K344 IonicContact OD2-NZ 3.23Å; D319-K344 PolarHBondContact OD2-NZ 2.6Å; D319-Q347 PolarHBondContact OD1-NE2 3.29Å
320D97.7Very high98Very high2 Ų233.2 Ų33.21%0.01118%0.178CC..THydrogen-bonded Turntrans-64.4-26.6177.7-69.8-23.7000111.8G42 D295 Q299 T322 V323G42-D320 VanDerWaalsContact CA-OD1 3.31Å; G42-D320 WeakPolarHBondContact CA-OD1 3.37Å; G42-D320 PolarHBondContact N-OD1 2.91Å; D295-D320 VanDerWaalsContact OD2-CB 3.27Å; D295-D320 WeakPolarHBondContact OD2-CB 3.45Å; D295-D320 PolarHBondContact OD2-N 3.48Å; Q299-D320 HydrophobicContact CB-CB 3.9Å; D320-T322 PolarHBondContact O-N 2.69Å; D320-V323 WeakPolarHBondContact O-CG1 3.44Å
321L98.5Very high98Very high0 Ų032.5 Ų32.50%016%0.163CC..THydrogen-bonded Turntrans-57.5-38.3172.1-178.967.1000112Q299 W302 W305 D319 R328 A332 A337 C338Q299-L321 WeakPolarHBondContact O-CD1 3.27Å; W302-L321 HydrophobicContact CD2-CD1 4.13Å; W302-L321 HydrophobicContact CE3-CD1 3.92Å; W302-L321 HydrophobicContact CH2-CD1 3.6Å; W302-L321 HydrophobicContact CH2-CG 3.98Å; W302-L321 HydrophobicContact CZ2-CD1 3.82Å; W302-L321 HydrophobicContact CZ3-CD1 3.62Å; W302-L321 HydrophobicContact CZ3-CD2 4.27Å; W302-L321 HydrophobicContact CZ3-CG 4.07Å; W305-L321 HydrophobicContact CD2-CD1 4.44Å; W305-L321 HydrophobicContact CD2-CD2 3.6Å; W305-L321 HydrophobicContact CD2-CG 4.48Å; W305-L321 HydrophobicContact CE3-CD2 3.63Å; W305-L321 HydrophobicContact CG-CD2 4.21Å; W305-L321 HydrophobicContact CH2-CB 3.91Å; W305-L321 HydrophobicContact CH2-CD2 3.79Å; W305-L321 HydrophobicContact CH2-CG 4.42Å; W305-L321 HydrophobicContact CZ2-CB 3.64Å; W305-L321 HydrophobicContact CZ2-CD1 4.38Å; W305-L321 HydrophobicContact CZ2-CD2 3.84Å; W305-L321 HydrophobicContact CZ2-CG 4.14Å; W305-L321 HydrophobicContact CZ3-CD2 3.72Å; D319-L321 PolarHBondContact O-N 2.82Å; L321-R328 PolarHBondContact O-NE 3.19Å; L321-A332 HydrophobicContact CD2-CB 4.34Å; L321-A337 HydrophobicContact CD2-CB 3.87Å; L321-C338 HydrophobicContact CD2-CB 4.47Å
322T98.6Very high98.1Very high0 Ų030 Ų300%015%0.146CC..THydrogen-bonded Turntrans-114.9-24.4-170.169.70000114.2G318 D319 D320 T324 N325 I329 A332 L341G318-T322 PolarHBondContact O-OG1 3.38Å; D319-T322 PolarHBondContact O-N 3.31Å; D320-T322 PolarHBondContact O-N 2.69Å; T322-T324 PolarHBondContact O-N 3.14Å; T322-N325 WeakPolarHBondContact O-CB 3.38Å; T322-N325 PolarHBondContact O-N 2.92Å; T322-I329 HydrophobicContact CG2-CG1 4.37Å; T322-A332 HydrophobicContact CG2-CB 4.08Å; T322-L341 WeakPolarHBondContact OG1-CD1 3.48Å
323V98Very high98.2Very high1 Ų131.1 Ų31.11%0.00615%0.15CC..THydrogen-bonded Turntrans43.137179.2-68.30000113.7H44 E45 D319 D320 N325 Q347H44-V323 HydrophobicContact CB-CG1 4.33Å; H44-V323 HydrophobicContact CB-CG2 3.73Å; H44-V323 WeakPolarHBondContact O-CG2 3.46Å; E45-V323 HydrophobicContact CG-CB 4.08Å; E45-V323 HydrophobicContact CG-CG1 3.63Å; D319-V323 WeakPolarHBondContact O-CA 3.42Å; D319-V323 PolarHBondContact O-N 3.28Å; D320-V323 WeakPolarHBondContact O-CG1 3.44Å; V323-N325 HydrophobicContact CG2-CB 3.86Å; V323-N325 PolarHBondContact O-N 2.91Å; V323-Q347 VanDerWaalsContact C-OE1 3.29Å; V323-Q347 HydrophobicContact CB-CB 4.38Å; V323-Q347 VanDerWaalsContact O-CB 3.31Å; V323-Q347 WeakPolarHBondContact O-CB 3.31Å
324T98.5Very high98.3Very high0 Ų027.9 Ų27.90%015%0.145CC..THydrogen-bonded Turntrans53.121.9-174.8-47.40000113.3T322 L342 L343 K344 Q347 I348 A357T322-T324 PolarHBondContact O-N 3.14Å; T324-L342 PolarHBondContact OG1-O 3.11Å; T324-L343 HydrophobicContact CG2-CG 4.02Å; T324-K344 PolarHBondContact OG1-N 2.94Å; T324-K344 PolarHBondContact OG1-O 3.09Å; T324-Q347 PolarHBondContact OG1-OE1 2.61Å; T324-I348 HydrophobicContact CG2-CB 4.24Å; T324-I348 HydrophobicContact CG2-CG2 3.91Å; T324-A357 HydrophobicContact CG2-CB 3.97Å
325N97.3Very high98.2Very high25 Ų2529 Ų2913%0.13415%0.154CC..  trans-99.4119.1-174-175.8-44.6000111.1T322 V323 K327 R328 I329 I348T322-N325 WeakPolarHBondContact O-CB 3.38Å; T322-N325 PolarHBondContact O-N 2.92Å; V323-N325 HydrophobicContact CG2-CB 3.86Å; V323-N325 PolarHBondContact O-N 2.91Å; N325-K327 PolarHBondContact O-N 2.85Å; N325-K327 WeakPolarHBondContact OD1-CB 3.29Å; N325-K327 PolarHBondContact OD1-N 2.95Å; N325-R328 PolarHBondContact O-N 3.35Å; N325-I329 VanDerWaalsContact O-CG1 3.31Å; N325-I329 WeakPolarHBondContact O-CG1 3.45Å; N325-I329 PolarHBondContact O-N 2.57Å; N325-I348 HydrophobicContact CB-CD1 4.22Å
326P96.1Very high98.2Very high30 Ų3036.7 Ų36.720%0.19519%0.188CC..Hα-helixtrans-53.8-30-178.8-29.736.3000115.5K330 L360P326-K330 VanDerWaalsContact O-CG 3.25Å; P326-K330 WeakPolarHBondContact O-CG 3.38Å; P326-K330 PolarHBondContact O-N 2.82Å; P326-K330 VanDerWaalsContact O-N 3.08Å; P326-L360 HydrophobicContact CB-CD2 4.06Å
327K96.7Very high98.2Very high131 Ų13136.7 Ų36.757%0.5719%0.188SC*.Hα-helixtrans-68.1-47.5176.9-64.7-177.6-177.51770111.5E101 N325 K330 Q331E101-K327 IonicContact OE1-NZ 3.02Å; E101-K327 PolarHBondContact OE1-NZ 2.79Å; N325-K327 PolarHBondContact O-N 2.85Å; N325-K327 WeakPolarHBondContact OD1-CB 3.29Å; N325-K327 PolarHBondContact OD1-N 2.95Å; K327-K330 PolarHBondContact O-N 3.04Å; K327-Q331 PolarHBondContact O-N 3.21Å; K327-Q331 VanDerWaalsContact O-N 3.14Å
328R98.3Very high98.2Very high26 Ų2636.8 Ų36.810%0.09819%0.189CC..Hα-helixtrans-71.8-35.7179.4-63.7-165.871.895.5-4.3111.8H44 Q299 D300 W302 L321 N325 K330 Q331 A332H44-R328 VanDerWaalsContact CD2-CZ 3.43Å; H44-R328 PolarHBondContact CD2-NH1 3.19Å; H44-R328 VanDerWaalsContact CD2-NH1 3.32Å; H44-R328 PolarHBondContact CE1-NH1 2.9Å; H44-R328 VanDerWaalsContact CE1-NH1 3.26Å; H44-R328 PolarHBondContact ND1-NH1 3.19Å; H44-R328 PolarHBondContact NE2-NH1 3.5Å; Q299-R328 PolarHBondContact O-NH2 3.18Å; D300-R328 IonicContact OD1-CZ 3.6Å; D300-R328 IonicContact OD1-NH1 2.77Å; D300-R328 PolarHBondContact OD1-NH1 2.95Å; D300-R328 IonicContact OD1-NH2 3.22Å; D300-R328 PolarHBondContact OD1-NH2 3.17Å; W302-R328 VanDerWaalsContact CZ2-NH2 3.28Å; L321-R328 PolarHBondContact O-NE 3.19Å; N325-R328 PolarHBondContact O-N 3.35Å; R328-K330 PolarHBondContact O-N 3.07Å; R328-Q331 WeakPolarHBondContact O-CB 3.44Å; R328-Q331 PolarHBondContact O-N 2.97Å; R328-A332 WeakPolarHBondContact O-CB 3.38Å; R328-A332 PolarHBondContact O-N 3.24Å
329I98.7Very high98.2Very high0 Ų038.2 Ų38.20%020%0.196CC..Hα-helixtrans-57.9-48171.6-64.7165.1000110.4T322 N325 Q331 A332 I333 L341 A357 L360T322-I329 HydrophobicContact CG2-CG1 4.37Å; N325-I329 VanDerWaalsContact O-CG1 3.31Å; N325-I329 WeakPolarHBondContact O-CG1 3.45Å; N325-I329 PolarHBondContact O-N 2.57Å; I329-Q331 VanDerWaalsContact C-N 3.33Å; I329-Q331 PolarHBondContact O-N 3.09Å; I329-A332 PolarHBondContact O-N 2.81Å; I329-I333 HydrophobicContact CG2-CD1 3.68Å; I329-I333 HydrophobicContact CG2-CG1 4.38Å; I329-I333 WeakPolarHBondContact O-CD1 3.36Å; I329-I333 VanDerWaalsContact O-CG1 3.29Å; I329-I333 WeakPolarHBondContact O-CG1 3.27Å; I329-I333 PolarHBondContact O-N 3.03Å; I329-L341 HydrophobicContact CD1-CD1 3.9Å; I329-L341 HydrophobicContact CD1-CD2 3.83Å; I329-L341 HydrophobicContact CD1-CG 4.49Å; I329-L341 HydrophobicContact CG1-CD1 4.09Å; I329-A357 HydrophobicContact CD1-CB 3.64Å; I329-L360 HydrophobicContact CB-CD2 3.85Å; I329-L360 HydrophobicContact CG2-CD2 3.57Å; I329-L360 HydrophobicContact CG2-CG 3.81Å
330K98.5Very high98.2Very high128 Ų12838 Ų3856%0.55720%0.195SC*.Hα-helixtrans-58.4-42.3175.6-75.8172-173.5178.40112.6P326 K327 R328 A334 L360P326-K330 VanDerWaalsContact O-CG 3.25Å; P326-K330 WeakPolarHBondContact O-CG 3.38Å; P326-K330 PolarHBondContact O-N 2.82Å; P326-K330 VanDerWaalsContact O-N 3.08Å; K327-K330 PolarHBondContact O-N 3.04Å; R328-K330 PolarHBondContact O-N 3.07Å; K330-A334 WeakPolarHBondContact O-CB 3.49Å; K330-A334 PolarHBondContact O-N 3.18Å; K330-L360 HydrophobicContact CG-CD1 4.2Å; K330-L360 HydrophobicContact CG-CD2 3.9Å
331Q98.5Very high98.3Very high88 Ų8837.9 Ų37.941%0.41119%0.194SC..Hα-helixtrans-62.7-44.7176-179175.8-8.300111.5W302 K327 R328 I329 A334 S335W302-Q331 HydrophobicContact CD2-CG 4.4Å; W302-Q331 HydrophobicContact CE3-CG 4.22Å; W302-Q331 HydrophobicContact CH2-CB 4.06Å; W302-Q331 HydrophobicContact CH2-CG 3.78Å; W302-Q331 HydrophobicContact CZ2-CB 4.48Å; W302-Q331 VanDerWaalsContact CZ2-CD 3.44Å; W302-Q331 HydrophobicContact CZ2-CG 3.97Å; W302-Q331 HydrophobicContact CZ3-CB 4.46Å; W302-Q331 HydrophobicContact CZ3-CG 3.94Å; K327-Q331 PolarHBondContact O-N 3.21Å; K327-Q331 VanDerWaalsContact O-N 3.14Å; R328-Q331 WeakPolarHBondContact O-CB 3.44Å; R328-Q331 PolarHBondContact O-N 2.97Å; I329-Q331 VanDerWaalsContact C-N 3.33Å; I329-Q331 PolarHBondContact O-N 3.09Å; Q331-A334 PolarHBondContact O-N 3.01Å; Q331-S335 PolarHBondContact O-N 3.45Å; Q331-S335 PolarHBondContact O-OG 2.81Å
332A98.8Very high98.3Very high0 Ų037.9 Ų37.90%019%0.194CC..Hα-helixtrans-67.8-35-179.800000113.3W302 L321 T322 R328 I329 S335 K336 A337 W366W302-A332 HydrophobicContact CH2-CB 3.96Å; W302-A332 HydrophobicContact CZ3-CB 3.65Å; L321-A332 HydrophobicContact CD2-CB 4.34Å; T322-A332 HydrophobicContact CG2-CB 4.08Å; R328-A332 WeakPolarHBondContact O-CB 3.38Å; R328-A332 PolarHBondContact O-N 3.24Å; I329-A332 PolarHBondContact O-N 2.81Å; A332-S335 PolarHBondContact O-OG 2.96Å; A332-K336 WeakPolarHBondContact O-CA 2.87Å; A332-K336 PolarHBondContact O-N 3.12Å; A332-A337 HydrophobicContact CB-CB 4.18Å; A332-A337 PolarHBondContact O-N 3.22Å; A332-W366 HydrophobicContact CB-CH2 3.57Å; A332-W366 HydrophobicContact CB-CZ2 4.35Å; A332-W366 HydrophobicContact CB-CZ3 4.48Å
333I98.5Very high98.3Very high46 Ų4638 Ų3824%0.23620%0.195CC..Hα-helixtrans-62.3-49.5168.8-67.9157000110.1I329 S335 K336 L360 S364 W366I329-I333 HydrophobicContact CG2-CD1 3.68Å; I329-I333 HydrophobicContact CG2-CG1 4.38Å; I329-I333 WeakPolarHBondContact O-CD1 3.36Å; I329-I333 VanDerWaalsContact O-CG1 3.29Å; I329-I333 WeakPolarHBondContact O-CG1 3.27Å; I329-I333 PolarHBondContact O-N 3.03Å; I333-S335 PolarHBondContact O-N 3.2Å; I333-K336 PolarHBondContact O-N 2.79Å; I333-L360 HydrophobicContact CD1-CD1 4.25Å; I333-L360 HydrophobicContact CD1-CG 4.2Å; I333-S364 WeakPolarHBondContact CD1-OG 3.17Å; I333-W366 HydrophobicContact CB-CZ2 4.23Å; I333-W366 HydrophobicContact CG1-CD2 4.27Å; I333-W366 HydrophobicContact CG1-CH2 4.02Å; I333-W366 HydrophobicContact CG1-CZ2 3.56Å
334A98.4Very high98.3Very high86 Ų8638.5 Ų38.571%0.71120%0.197SC*.Hα-helixtrans-63.8-38.9-17700000112.9K330 Q331 K336K330-A334 WeakPolarHBondContact O-CB 3.49Å; K330-A334 PolarHBondContact O-N 3.18Å; Q331-A334 PolarHBondContact O-N 3.01Å; A334-K336 VanDerWaalsContact C-N 3.34Å
335S98.1Very high98.3Very high41 Ų4138.8 Ų38.829%0.28720%0.199SC..Hα-helixtrans-83.1-8.8177.5620000113.7P306 Q331 A332 I333 A337P306-S335 WeakPolarHBondContact CB-O 3.49Å; P306-S335 WeakPolarHBondContact CG-O 3.36Å; Q331-S335 PolarHBondContact O-N 3.45Å; Q331-S335 PolarHBondContact O-OG 2.81Å; A332-S335 PolarHBondContact O-OG 2.96Å; I333-S335 PolarHBondContact O-N 3.2Å; S335-A337 PolarHBondContact O-N 3.16Å; S335-A337 WeakPolarHBondContact OG-CB 3.37Å
336K98.3Very high98.4Very high162 Ų16238.2 Ų38.270%0.70420%0.196SC*.THydrogen-bonded Turntrans56.137.2-171.1-52.1179.7-178.6-178.90112.1A332 I333 A334A332-K336 WeakPolarHBondContact O-CA 2.87Å; A332-K336 PolarHBondContact O-N 3.12Å; I333-K336 PolarHBondContact O-N 2.79Å; A334-K336 VanDerWaalsContact C-N 3.34Å
337A98.6Very high98.5Very high0 Ų036.9 Ų36.90%019%0.187CC..  trans-66.1-41.9-175.600000112.2W302 W305 T309 L321 A332 S335W302-A337 HydrophobicContact CE3-CB 4.09Å; W302-A337 HydrophobicContact CZ3-CB 3.99Å; W305-A337 CarbonylContact C-O 3.54Å; W305-A337 HydrophobicContact CB-CB 3.76Å; W305-A337 HydrophobicContact CG-CB 4.41Å; T309-A337 WeakPolarHBondContact CB-O 3.49Å; T309-A337 PolarHBondContact OG1-O 3.46Å; L321-A337 HydrophobicContact CD2-CB 3.87Å; A332-A337 HydrophobicContact CB-CB 4.18Å; A332-A337 PolarHBondContact O-N 3.22Å; S335-A337 PolarHBondContact O-N 3.16Å; S335-A337 WeakPolarHBondContact OG-CB 3.37Å
338C98.8Very high98.5Very high3 Ų331 Ų312%0.0216%0.162CC..  trans-143.5-177.2177.764.60000110.7W305 I316 L321 W366W305-C338 HydrophobicContact CE3-CB 4.03Å; W305-C338 HydrophobicContact CZ3-CB 3.83Å; I316-C338 HydrophobicContact CB-CB 4.33Å; I316-C338 HydrophobicContact CG2-CB 3.89Å; I316-C338 WeakPolarHBondContact O-CB 3.48Å; L321-C338 HydrophobicContact CD2-CB 4.47Å; C338-W366 WeakPolarHBondContact O-CZ2 3.3Å; C338-W366 WeakPolarHBondContact SG-CH2 3.26Å; C338-W366 WeakPolarHBondContact SG-CZ3 3.42Å
339N98.8Very high98.5Very high29 Ų2929.8 Ų29.816%0.15516%0.157CC..SBendtrans-138.714-179.166.228000113.4I314 Q315 I316 W366 G367 R430I314-N339 PolarHBondContact O-ND2 2.87Å; I314-N339 VanDerWaalsContact O-ND2 3.13Å; Q315-N339 WeakPolarHBondContact CA-OD1 3.01Å; I316-N339 PolarHBondContact N-OD1 2.79Å; I316-N339 PolarHBondContact O-N 3.42Å; I316-N339 PolarHBondContact O-OD1 3.45Å; N339-W366 WeakPolarHBondContact O-CA 3.39Å; N339-W366 WeakPolarHBondContact O-CB 3.13Å; N339-G367 PolarHBondContact O-N 3.47Å; N339-R430 PolarHBondContact ND2-NH2 2.85Å
340C98.9Very high98.5Very high0 Ų029.8 Ų29.80%016%0.157CC..EExtended strand (participates in β ladder)trans-149.1140.1173.2179.90000109.7Q315 I316 V317 G318 G367Q315-C340 VanDerWaalsContact CD-CB 3.49Å; Q315-C340 HydrophobicContact CG-CB 3.39Å; Q315-C340 PolarHBondContact OE1-SG 3.35Å; Q315-C340 VanDerWaalsContact OE1-SG 3.39Å; I316-C340 PolarHBondContact O-N 3.07Å; V317-C340 CarbonylContact C-O 3.53Å; V317-C340 WeakPolarHBondContact CA-O 3.13Å; V317-C340 HydrophobicContact CB-CB 4.37Å; V317-C340 HydrophobicContact CG1-CB 4.43Å; V317-C340 HydrophobicContact CG2-CB 4Å; G318-C340 PolarHBondContact N-O 3.33Å; C340-G367 CarbonylContact C-O 3.55Å; C340-G367 VanDerWaalsContact CA-O 3.23Å; C340-G367 WeakPolarHBondContact CA-O 3.17Å; C340-G367 VanDerWaalsContact SG-C 3.52Å; C340-G367 PolarHBondContact SG-O 2.69Å
341L98.9Very high98.5Very high0 Ų023.7 Ų23.70%013%0.131CC..EExtended strand (participates in β ladder)trans-92.8130.9172167.964.4000109.4T322 I329 L343 A357 A361 W366 G367 V368 M369T322-L341 WeakPolarHBondContact OG1-CD1 3.48Å; I329-L341 HydrophobicContact CD1-CD1 3.9Å; I329-L341 HydrophobicContact CD1-CD2 3.83Å; I329-L341 HydrophobicContact CD1-CG 4.49Å; I329-L341 HydrophobicContact CG1-CD1 4.09Å; L341-L343 HydrophobicContact CD2-CB 4.45Å; L341-L343 HydrophobicContact CG-CB 4.47Å; L341-A357 HydrophobicContact CD2-CB 4.17Å; L341-A361 HydrophobicContact CB-CB 3.91Å; L341-A361 HydrophobicContact CD2-CB 4.05Å; L341-W366 HydrophobicContact CB-CE3 4.44Å; L341-G367 PolarHBondContact N-O 2.75Å; L341-V368 HydrophobicContact CB-CG2 4.36Å; L341-V368 HydrophobicContact CD2-CG1 4.44Å; L341-V368 CarbonylContact O-C 3.59Å; L341-V368 WeakPolarHBondContact O-CA 3.07Å; L341-M369 PolarHBondContact O-N 3.18Å
342L98.9Very high98.5Very high0 Ų020.4 Ų20.40%012%0.117CC..EExtended strand (participates in β ladder)trans-82.7120.2157.7-159.982000109.7E294 V317 G318 D319 T324 K344 M369 K395E294-L342 WeakPolarHBondContact OE1-CD2 3.32Å; E294-L342 WeakPolarHBondContact OE2-CD1 3.37Å; V317-L342 HydrophobicContact CG1-CB 3.71Å; V317-L342 HydrophobicContact CG1-CD1 4.07Å; G318-L342 PolarHBondContact O-N 3.09Å; D319-L342 HydrophobicContact CB-CB 3.83Å; D319-L342 HydrophobicContact CB-CD2 3.7Å; D319-L342 HydrophobicContact CB-CG 4.4Å; D319-L342 WeakPolarHBondContact OD1-CD2 3.31Å; T324-L342 PolarHBondContact OG1-O 3.11Å; L342-K344 HydrophobicContact CD2-CD 3.89Å; L342-K344 HydrophobicContact CD2-CG 4.08Å; L342-M369 WeakPolarHBondContact CA-O 3.16Å; L342-M369 HydrophobicContact CD1-CB 3.95Å; L342-M369 HydrophobicContact CD1-CG 3.89Å; L342-M369 HydrophobicContact CD1-SD 3.85Å; L342-K395 HydrophobicContact CD1-CD 3.77Å; L342-K395 VanDerWaalsContact CD1-CE 3.49Å; L342-K395 HydrophobicContact CD1-CG 4.14Å; L342-K395 VanDerWaalsContact CD2-CE 3.47Å
343L98.8Very high98.5Very high1 Ų122.1 Ų22.11%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-101.2106.8-177.4-171.1157.4000110T324 L341 V345 S354 C358 V368 M369 S371 L385 L389T324-L343 HydrophobicContact CG2-CG 4.02Å; L341-L343 HydrophobicContact CD2-CB 4.45Å; L341-L343 HydrophobicContact CG-CB 4.47Å; L343-V345 HydrophobicContact CD2-CG1 3.84Å; L343-S354 WeakPolarHBondContact CD1-O 3.5Å; L343-C358 HydrophobicContact CD1-CB 3.62Å; L343-V368 HydrophobicContact CB-CG1 3.75Å; L343-V368 HydrophobicContact CD1-CG1 3.94Å; L343-M369 PolarHBondContact N-O 2.9Å; L343-S371 PolarHBondContact O-N 2.86Å; L343-L385 HydrophobicContact CD2-CD2 3.91Å; L343-L389 HydrophobicContact CD1-CD1 3.94Å
344K98.8Very high98.5Very high13 Ų1319.9 Ų19.96%0.05711%0.113CC..  trans-116.3106.8172.7-71.4166.7167.3164.60108.7D319 T324 L342 N346 Q347D319-K344 WeakPolarHBondContact OD1-CD 3.2Å; D319-K344 IonicContact OD1-NZ 3.94Å; D319-K344 PolarHBondContact OD1-NZ 2.81Å; D319-K344 IonicContact OD2-NZ 3.23Å; D319-K344 PolarHBondContact OD2-NZ 2.6Å; T324-K344 PolarHBondContact OG1-N 2.94Å; T324-K344 PolarHBondContact OG1-O 3.09Å; L342-K344 HydrophobicContact CD2-CD 3.89Å; L342-K344 HydrophobicContact CD2-CG 4.08Å; K344-N346 PolarHBondContact O-N 3.44Å; K344-Q347 HydrophobicContact CB-CB 4.27Å; K344-Q347 HydrophobicContact CB-CG 3.58Å; K344-Q347 VanDerWaalsContact CD-CD 3.46Å; K344-Q347 HydrophobicContact CD-CG 3.96Å; K344-Q347 HydrophobicContact CG-CG 4.43Å; K344-Q347 WeakPolarHBondContact O-CB 3.4Å; K344-Q347 PolarHBondContact O-N 2.73Å
345V98.4Very high98.6Very high6 Ų616.3 Ų16.34%0.0368%0.082CC..Hα-helixtrans-56.2-28.2-173.7-62.90000114.1L112 L343 G349 S354 L385L112-V345 HydrophobicContact CD1-CB 4.15Å; L112-V345 HydrophobicContact CD1-CG2 4.2Å; L112-V345 HydrophobicContact CD2-CB 4.46Å; L112-V345 HydrophobicContact CD2-CG2 3.89Å; L343-V345 HydrophobicContact CD2-CG1 3.84Å; V345-G349 PolarHBondContact O-N 3.03Å; V345-S354 WeakPolarHBondContact CA-OG 3.47Å; V345-L385 HydrophobicContact CG1-CD2 3.47Å; V345-L385 VanDerWaalsContact CG1-CD2 3.47Å
346N98Very high98.6Very high13 Ų1319.3 Ų19.37%0.079%0.091CC..Hα-helixtrans-81.9-15.7179.178.8-42.8000114V35 P36 L112 K344 I348 R373V35-N346 HydrophobicContact CG1-CB 4.41Å; P36-N346 HydrophobicContact CG-CB 4.31Å; P36-N346 PolarHBondContact O-ND2 3.39Å; P36-N346 VanDerWaalsContact O-ND2 3.09Å; L112-N346 VanDerWaalsContact CD2-CA 3.47Å; L112-N346 HydrophobicContact CD2-CB 3.45Å; L112-N346 VanDerWaalsContact CD2-CB 3.45Å; K344-N346 PolarHBondContact O-N 3.44Å; N346-I348 VanDerWaalsContact C-N 3.28Å; N346-R373 PolarHBondContact ND2-NH1 3.23Å; N346-R373 VanDerWaalsContact OD1-CD 3.27Å; N346-R373 WeakPolarHBondContact OD1-CD 3.49Å; N346-R373 WeakPolarHBondContact OD1-CG 3.4Å; N346-R373 PolarHBondContact OD1-NH1 3.2Å
347Q97.9Very high98.6Very high1 Ų111.6 Ų11.61%0.0056%0.058CC..Hα-helixtrans-69.2-28.9172.3-67.8-174.4-41.900111.9E45 A46 D319 V323 T324 K344E45-Q347 VanDerWaalsContact CD-CG 3.48Å; E45-Q347 HydrophobicContact CG-CB 4.1Å; E45-Q347 HydrophobicContact CG-CG 3.76Å; E45-Q347 PolarHBondContact OE1-NE2 3.4Å; A46-Q347 WeakPolarHBondContact CB-O 3.48Å; A46-Q347 PolarHBondContact N-O 2.94Å; D319-Q347 PolarHBondContact OD1-NE2 3.29Å; V323-Q347 VanDerWaalsContact C-OE1 3.29Å; V323-Q347 HydrophobicContact CB-CB 4.38Å; V323-Q347 VanDerWaalsContact O-CB 3.31Å; V323-Q347 WeakPolarHBondContact O-CB 3.31Å; T324-Q347 PolarHBondContact OG1-OE1 2.61Å; K344-Q347 HydrophobicContact CB-CB 4.27Å; K344-Q347 HydrophobicContact CB-CG 3.58Å; K344-Q347 VanDerWaalsContact CD-CD 3.46Å; K344-Q347 HydrophobicContact CD-CG 3.96Å; K344-Q347 HydrophobicContact CG-CG 4.43Å; K344-Q347 WeakPolarHBondContact O-CB 3.4Å; K344-Q347 PolarHBondContact O-N 2.73Å
348I98.2Very high98.6Very high9 Ų911.6 Ų11.65%0.0466%0.058CC..Hα-helixtrans-106-28.7177.2-161.656000113K103 T324 N325 N346 E353 S354K103-I348 WeakPolarHBondContact CD-O 3.17Å; K103-I348 WeakPolarHBondContact CE-O 3.38Å; K103-I348 PolarHBondContact NZ-O 3.24Å; T324-I348 HydrophobicContact CG2-CB 4.24Å; T324-I348 HydrophobicContact CG2-CG2 3.91Å; N325-I348 HydrophobicContact CB-CD1 4.22Å; N346-I348 VanDerWaalsContact C-N 3.28Å; I348-E353 HydrophobicContact CB-CB 4.46Å; I348-E353 HydrophobicContact CG1-CB 3.54Å; I348-E353 HydrophobicContact CG1-CG 4.3Å; I348-E353 HydrophobicContact CG2-CB 4.05Å; I348-S354 VanDerWaalsContact CG2-OG 3.29Å; I348-S354 WeakPolarHBondContact CG2-OG 3.49Å
349G98Very high98.5Very high0 Ų014.9 Ų14.90%07%0.072CC..  trans92.13.5166.500000116.4I111 L112 V345I111-G349 WeakPolarHBondContact CG2-O 3.47Å; L112-G349 WeakPolarHBondContact CA-O 3.43Å; L112-G349 PolarHBondContact N-O 3.44Å; V345-G349 PolarHBondContact O-N 3.03Å
350S98.7Very high98.5Very high0 Ų015.3 Ų15.30%07%0.074CC..SBendtrans-146153.9168.577.60000112.1E353 S354S350-E353 WeakPolarHBondContact CB-OE2 3.17Å; S350-E353 WeakPolarHBondContact OG-CB 3.36Å; S350-E353 VanDerWaalsContact OG-CG 3.31Å; S350-E353 WeakPolarHBondContact OG-CG 3.45Å; S350-E353 PolarHBondContact OG-N 3.44Å; S350-E353 PolarHBondContact OG-OE2 2.77Å; S350-S354 WeakPolarHBondContact O-CB 3.24Å; S350-S354 PolarHBondContact O-N 2.95Å; S350-S354 VanDerWaalsContact O-N 3.16Å; S350-S354 PolarHBondContact O-OG 3.47Å
351L98.8Very high98.5Very high0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-66.4-41.6176.8179.561.4000111.6Q87 S115 L116 C119 L137 S354 I355 F381 L385Q87-L351 HydrophobicContact CG-CD2 4.15Å; S115-L351 WeakPolarHBondContact OG-CB 3.47Å; S115-L351 PolarHBondContact OG-N 2.76Å; L116-L351 HydrophobicContact CD2-CB 4.45Å; C119-L351 HydrophobicContact CB-CD2 3.46Å; C119-L351 VanDerWaalsContact CB-CD2 3.46Å; C119-L351 WeakPolarHBondContact SG-CD2 3.3Å; L137-L351 HydrophobicContact CD1-CD2 4.35Å; L351-S354 WeakPolarHBondContact O-CB 3.19Å; L351-S354 PolarHBondContact O-N 2.89Å; L351-S354 VanDerWaalsContact O-N 3.16Å; L351-I355 HydrophobicContact CD1-CD1 4.16Å; L351-I355 HydrophobicContact CD1-CG1 4.16Å; L351-I355 HydrophobicContact CD2-CD1 4.45Å; L351-I355 HydrophobicContact CG-CD1 3.91Å; L351-I355 HydrophobicContact CG-CG1 4.33Å; L351-I355 WeakPolarHBondContact O-CG1 3.24Å; L351-I355 PolarHBondContact O-N 3.35Å; L351-F381 HydrophobicContact CD1-CE1 3.85Å; L351-F381 HydrophobicContact CD1-CZ 3.81Å; L351-F381 HydrophobicContact CD2-CZ 3.87Å; L351-F381 HydrophobicContact CG-CZ 4.44Å; L351-L385 HydrophobicContact CD1-CD1 3.81Å
352T98.7Very high98.4Very high19 Ų1917.9 Ų17.912%0.1179%0.086CC..Hα-helixtrans-59-50.2179.6-62.50000111.5A88 D91 S354 I355 E356A88-T352 WeakPolarHBondContact CA-OG1 3.4Å; A88-T352 HydrophobicContact CB-CG2 4.13Å; D91-T352 WeakPolarHBondContact CB-OG1 3.48Å; D91-T352 VanDerWaalsContact OD2-CB 3.24Å; D91-T352 WeakPolarHBondContact OD2-CB 3.19Å; D91-T352 PolarHBondContact OD2-N 2.77Å; D91-T352 PolarHBondContact OD2-OG1 3.13Å; T352-S354 PolarHBondContact O-N 2.94Å; T352-I355 PolarHBondContact O-N 2.97Å; T352-E356 WeakPolarHBondContact O-CG 3.44Å; T352-E356 PolarHBondContact O-N 2.7Å
353E98.6Very high98.4Very high35 Ų3524.6 Ų24.616%0.16412%0.122CC..Hα-helixtrans-64.3-31.6177.6-67.5165107.700111.8I95 K103 I348 S350 E356 A357I95-E353 HydrophobicContact CD1-CG 4.11Å; I95-E353 VanDerWaalsContact CD1-OE2 3.32Å; I95-E353 WeakPolarHBondContact CD1-OE2 3.46Å; K103-E353 WeakPolarHBondContact CE-OE2 3.21Å; K103-E353 IonicContact NZ-OE1 3.86Å; K103-E353 PolarHBondContact NZ-OE1 2.72Å; K103-E353 IonicContact NZ-OE2 2.95Å; K103-E353 PolarHBondContact NZ-OE2 2.71Å; I348-E353 HydrophobicContact CB-CB 4.46Å; I348-E353 HydrophobicContact CG1-CB 3.54Å; I348-E353 HydrophobicContact CG1-CG 4.3Å; I348-E353 HydrophobicContact CG2-CB 4.05Å; S350-E353 WeakPolarHBondContact CB-OE2 3.17Å; S350-E353 WeakPolarHBondContact OG-CB 3.36Å; S350-E353 VanDerWaalsContact OG-CG 3.31Å; S350-E353 WeakPolarHBondContact OG-CG 3.45Å; S350-E353 PolarHBondContact OG-N 3.44Å; S350-E353 PolarHBondContact OG-OE2 2.77Å; E353-E356 PolarHBondContact O-N 3.12Å; E353-A357 WeakPolarHBondContact O-CB 3.42Å; E353-A357 PolarHBondContact O-N 2.84Å
354S98.8Very high98.3Very high0 Ų027 Ų270%014%0.138CC..Hα-helixtrans-66.7-43.2174.7-570000112.3L343 V345 I348 S350 L351 T352 E356 A357 C358L343-S354 WeakPolarHBondContact CD1-O 3.5Å; V345-S354 WeakPolarHBondContact CA-OG 3.47Å; I348-S354 VanDerWaalsContact CG2-OG 3.29Å; I348-S354 WeakPolarHBondContact CG2-OG 3.49Å; S350-S354 WeakPolarHBondContact O-CB 3.24Å; S350-S354 PolarHBondContact O-N 2.95Å; S350-S354 VanDerWaalsContact O-N 3.16Å; S350-S354 PolarHBondContact O-OG 3.47Å; L351-S354 WeakPolarHBondContact O-CB 3.19Å; L351-S354 PolarHBondContact O-N 2.89Å; L351-S354 VanDerWaalsContact O-N 3.16Å; T352-S354 PolarHBondContact O-N 2.94Å; S354-E356 VanDerWaalsContact C-N 3.34Å; S354-A357 PolarHBondContact O-N 3.22Å; S354-C358 PolarHBondContact O-N 3.04Å
355I98.6Very high98.2Very high10 Ų1028.6 Ų28.65%0.05116%0.159CC..Hα-helixtrans-63.9-41.9175-66.2170.5000109.9L137 A138 L351 T352 C358 K359 L389L137-I355 HydrophobicContact CB-CD1 3.9Å; L137-I355 HydrophobicContact CD1-CD1 4.41Å; A138-I355 HydrophobicContact CB-CG2 4.24Å; L351-I355 HydrophobicContact CD1-CD1 4.16Å; L351-I355 HydrophobicContact CD1-CG1 4.16Å; L351-I355 HydrophobicContact CD2-CD1 4.45Å; L351-I355 HydrophobicContact CG-CD1 3.91Å; L351-I355 HydrophobicContact CG-CG1 4.33Å; L351-I355 WeakPolarHBondContact O-CG1 3.24Å; L351-I355 PolarHBondContact O-N 3.35Å; T352-I355 PolarHBondContact O-N 2.97Å; I355-C358 WeakPolarHBondContact O-CB 3.34Å; I355-C358 PolarHBondContact O-N 3.31Å; I355-K359 HydrophobicContact CG2-CD 4.16Å; I355-K359 WeakPolarHBondContact O-CG 3.49Å; I355-K359 PolarHBondContact O-N 3.19Å; I355-L389 HydrophobicContact CG1-CD2 4.09Å; I355-L389 HydrophobicContact CG2-CD2 4.46Å
356E98.3Very high98.2Very high105 Ų10529.1 Ų29.149%0.49116%0.16SC..Hα-helixtrans-63.3-41.2176.6-71.4173.7-178.200112.3T352 E353 S354 K359 L360T352-E356 WeakPolarHBondContact O-CG 3.44Å; T352-E356 PolarHBondContact O-N 2.7Å; E353-E356 PolarHBondContact O-N 3.12Å; S354-E356 VanDerWaalsContact C-N 3.34Å; E356-K359 PolarHBondContact O-N 3.32Å; E356-L360 VanDerWaalsContact O-CB 3.31Å; E356-L360 WeakPolarHBondContact O-CB 3.06Å; E356-L360 PolarHBondContact O-N 2.91Å
357A98.7Very high98.3Very high0 Ų028.6 Ų28.60%016%0.158CC..Hα-helixtrans-62.3-43.6173.900000112T324 I329 L341 E353 S354 L360 A361T324-A357 HydrophobicContact CG2-CB 3.97Å; I329-A357 HydrophobicContact CD1-CB 3.64Å; L341-A357 HydrophobicContact CD2-CB 4.17Å; E353-A357 WeakPolarHBondContact O-CB 3.42Å; E353-A357 PolarHBondContact O-N 2.84Å; S354-A357 PolarHBondContact O-N 3.22Å; A357-L360 PolarHBondContact O-N 3.49Å; A357-A361 PolarHBondContact O-N 2.89Å; A357-A361 VanDerWaalsContact O-N 3.1Å
358C98.6Very high98.3Very high0 Ų028.6 Ų28.60%016%0.158CC..Hα-helixtrans-58.4-51.2174.7-172.40000111.6L343 S354 I355 L360 A361 Q362 L389L343-C358 HydrophobicContact CD1-CB 3.62Å; S354-C358 PolarHBondContact O-N 3.04Å; I355-C358 WeakPolarHBondContact O-CB 3.34Å; I355-C358 PolarHBondContact O-N 3.31Å; C358-L360 PolarHBondContact O-N 3.13Å; C358-A361 PolarHBondContact O-N 3.02Å; C358-Q362 WeakPolarHBondContact O-CG 3.17Å; C358-Q362 PolarHBondContact O-N 3.25Å; C358-Q362 PolarHBondContact SG-OE1 2.88Å; C358-L389 HydrophobicContact CB-CD1 4.08Å; C358-L389 HydrophobicContact CB-CD2 4.34Å
359K97.9Very high98.4Very high72 Ų7228.2 Ų28.231%0.31316%0.156SC..Hα-helixtrans-58.8-48.4178.9-74.8176.3174.8-176.40111.7A138 I355 E356 A361 Q362 D363A138-K359 WeakPolarHBondContact O-CE 3.35Å; A138-K359 PolarHBondContact O-NZ 2.93Å; I355-K359 HydrophobicContact CG2-CD 4.16Å; I355-K359 WeakPolarHBondContact O-CG 3.49Å; I355-K359 PolarHBondContact O-N 3.19Å; E356-K359 PolarHBondContact O-N 3.32Å; K359-A361 VanDerWaalsContact C-N 3.27Å; K359-A361 PolarHBondContact O-N 3.25Å; K359-Q362 PolarHBondContact O-N 3.43Å; K359-D363 VanDerWaalsContact O-CB 3.26Å; K359-D363 WeakPolarHBondContact O-CB 3.42Å; K359-D363 PolarHBondContact O-N 2.86Å
360L98.4Very high98.4Very high37 Ų3728.2 Ų28.219%0.19416%0.156CC..Hα-helixtrans-56.1-42.3178.1173.863.8000112.3P326 I329 K330 I333 E356 A357 C358 S364P326-L360 HydrophobicContact CB-CD2 4.06Å; I329-L360 HydrophobicContact CB-CD2 3.85Å; I329-L360 HydrophobicContact CG2-CD2 3.57Å; I329-L360 HydrophobicContact CG2-CG 3.81Å; K330-L360 HydrophobicContact CG-CD1 4.2Å; K330-L360 HydrophobicContact CG-CD2 3.9Å; I333-L360 HydrophobicContact CD1-CD1 4.25Å; I333-L360 HydrophobicContact CD1-CG 4.2Å; E356-L360 VanDerWaalsContact O-CB 3.31Å; E356-L360 WeakPolarHBondContact O-CB 3.06Å; E356-L360 PolarHBondContact O-N 2.91Å; A357-L360 PolarHBondContact O-N 3.49Å; C358-L360 PolarHBondContact O-N 3.13Å; L360-S364 WeakPolarHBondContact O-CB 3.4Å; L360-S364 PolarHBondContact O-N 3.06Å; L360-S364 PolarHBondContact O-OG 2.91Å
361A98.6Very high98.4Very high0 Ų028.4 Ų28.40%016%0.157CC..Hα-helixtrans-66.7-52176.300000111.3L341 A357 C358 K359 D363 S364 G365 W366 V368L341-A361 HydrophobicContact CB-CB 3.91Å; L341-A361 HydrophobicContact CD2-CB 4.05Å; A357-A361 PolarHBondContact O-N 2.89Å; A357-A361 VanDerWaalsContact O-N 3.1Å; C358-A361 PolarHBondContact O-N 3.02Å; K359-A361 VanDerWaalsContact C-N 3.27Å; K359-A361 PolarHBondContact O-N 3.25Å; A361-D363 PolarHBondContact O-N 3.29Å; A361-S364 CarbonylContact O-C 3.49Å; A361-S364 WeakPolarHBondContact O-CB 3.15Å; A361-S364 PolarHBondContact O-N 2.92Å; A361-S364 VanDerWaalsContact O-N 3.07Å; A361-G365 PolarHBondContact O-N 3.28Å; A361-W366 HydrophobicContact CB-CB 4.11Å; A361-W366 HydrophobicContact CB-CE3 4.33Å; A361-W366 VanDerWaalsContact O-CB 3.3Å; A361-W366 WeakPolarHBondContact O-CB 3.47Å; A361-W366 PolarHBondContact O-N 3.01Å; A361-V368 HydrophobicContact CB-CG2 3.77Å
362Q97.6Very high98.4Very high54 Ų5428.5 Ų28.525%0.25216%0.158SC..Hα-helixtrans-61.1-43-179.2-73.4171.4-48.200112.6C358 K359 S364 G365 V368 L389C358-Q362 WeakPolarHBondContact O-CG 3.17Å; C358-Q362 PolarHBondContact O-N 3.25Å; C358-Q362 PolarHBondContact SG-OE1 2.88Å; K359-Q362 PolarHBondContact O-N 3.43Å; Q362-S364 PolarHBondContact O-N 3.24Å; Q362-G365 WeakPolarHBondContact O-CA 3.27Å; Q362-G365 PolarHBondContact O-N 3.43Å; Q362-V368 HydrophobicContact CG-CG2 3.93Å; Q362-L389 PolarHBondContact NE2-O 3.5Å
363D97.3Very high98.3Very high142 Ų14227.9 Ų27.976%0.75915%0.153SC*.Hα-helixtrans-62.3-25.7176.7-70.9-16.9000112.2K359 A361 G365K359-D363 VanDerWaalsContact O-CB 3.26Å; K359-D363 WeakPolarHBondContact O-CB 3.42Å; K359-D363 PolarHBondContact O-N 2.86Å; A361-D363 PolarHBondContact O-N 3.29Å; D363-G365 VanDerWaalsContact C-N 3.28Å
364S97.6Very high98.2Very high50 Ų5026.4 Ų26.435%0.3515%0.147SC..THydrogen-bonded Turntrans-88.76.9175.6-54.50000113.1I333 L360 A361 Q362 W366I333-S364 WeakPolarHBondContact CD1-OG 3.17Å; L360-S364 WeakPolarHBondContact O-CB 3.4Å; L360-S364 PolarHBondContact O-N 3.06Å; L360-S364 PolarHBondContact O-OG 2.91Å; A361-S364 CarbonylContact O-C 3.49Å; A361-S364 WeakPolarHBondContact O-CB 3.15Å; A361-S364 PolarHBondContact O-N 2.92Å; A361-S364 VanDerWaalsContact O-N 3.07Å; Q362-S364 PolarHBondContact O-N 3.24Å; S364-W366 VanDerWaalsContact C-N 3.34Å
365G97.3Very high98Very high47 Ų4726.4 Ų26.449%0.48515%0.147SC..THydrogen-bonded Turntrans75.119.3-178.700000113.9A361 Q362 D363 H431A361-G365 PolarHBondContact O-N 3.28Å; Q362-G365 WeakPolarHBondContact O-CA 3.27Å; Q362-G365 PolarHBondContact O-N 3.43Å; D363-G365 VanDerWaalsContact C-N 3.28Å; G365-H431 PolarHBondContact O-CE1 2.63Å
366W98.5Very high98Very high18 Ų1826.2 Ų26.27%0.06815%0.145CC..  trans-86.1156174.8-70.114.6000111.9A332 I333 C338 N339 L341 A361 S364A332-W366 HydrophobicContact CB-CH2 3.57Å; A332-W366 HydrophobicContact CB-CZ2 4.35Å; A332-W366 HydrophobicContact CB-CZ3 4.48Å; I333-W366 HydrophobicContact CB-CZ2 4.23Å; I333-W366 HydrophobicContact CG1-CD2 4.27Å; I333-W366 HydrophobicContact CG1-CH2 4.02Å; I333-W366 HydrophobicContact CG1-CZ2 3.56Å; C338-W366 WeakPolarHBondContact O-CZ2 3.3Å; C338-W366 WeakPolarHBondContact SG-CH2 3.26Å; C338-W366 WeakPolarHBondContact SG-CZ3 3.42Å; N339-W366 WeakPolarHBondContact O-CA 3.39Å; N339-W366 WeakPolarHBondContact O-CB 3.13Å; L341-W366 HydrophobicContact CB-CE3 4.44Å; A361-W366 HydrophobicContact CB-CB 4.11Å; A361-W366 HydrophobicContact CB-CE3 4.33Å; A361-W366 VanDerWaalsContact O-CB 3.3Å; A361-W366 WeakPolarHBondContact O-CB 3.47Å; A361-W366 PolarHBondContact O-N 3.01Å; S364-W366 VanDerWaalsContact C-N 3.34Å
367G98.7Very high98.1Very high2 Ų221.4 Ų21.42%0.02112%0.123CC..EExtended strand (participates in β ladder)trans-73.2163.7159.600000111.2N339 C340 L341 R430N339-G367 PolarHBondContact O-N 3.47Å; C340-G367 CarbonylContact C-O 3.55Å; C340-G367 VanDerWaalsContact CA-O 3.23Å; C340-G367 WeakPolarHBondContact CA-O 3.17Å; C340-G367 VanDerWaalsContact SG-C 3.52Å; C340-G367 PolarHBondContact SG-O 2.69Å; L341-G367 PolarHBondContact N-O 2.75Å; G367-R430 WeakPolarHBondContact CA-O 3.43Å
368V98.9Very high98.1Very high1 Ų127.3 Ų27.31%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-131.7132.3167.6-179.20000107.4L341 L343 A361 Q362 T391 Q393L341-V368 HydrophobicContact CB-CG2 4.36Å; L341-V368 HydrophobicContact CD2-CG1 4.44Å; L341-V368 CarbonylContact O-C 3.59Å; L341-V368 WeakPolarHBondContact O-CA 3.07Å; L343-V368 HydrophobicContact CB-CG1 3.75Å; L343-V368 HydrophobicContact CD1-CG1 3.94Å; A361-V368 HydrophobicContact CB-CG2 3.77Å; Q362-V368 HydrophobicContact CG-CG2 3.93Å; V368-T391 HydrophobicContact CB-CG2 3.82Å; V368-T391 HydrophobicContact CG1-CG2 3.88Å; V368-T391 VanDerWaalsContact O-CB 3.29Å; V368-T391 WeakPolarHBondContact O-CB 3Å; V368-Q393 WeakPolarHBondContact O-CG 3.43Å; V368-Q393 PolarHBondContact O-NE2 2.98Å
369M98.9Very high98.1Very high1 Ų128.1 Ų28.11%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-113.9109.9171.4179.5-175.7-61.700108.8A149 L341 L342 L343 Q393 K395A149-M369 HydrophobicContact CB-CE 4.47Å; L341-M369 PolarHBondContact O-N 3.18Å; L342-M369 WeakPolarHBondContact CA-O 3.16Å; L342-M369 HydrophobicContact CD1-CB 3.95Å; L342-M369 HydrophobicContact CD1-CG 3.89Å; L342-M369 HydrophobicContact CD1-SD 3.85Å; L343-M369 PolarHBondContact N-O 2.9Å; M369-Q393 HydrophobicContact CB-CG 3.96Å; M369-Q393 HydrophobicContact CG-CG 4.34Å; M369-K395 HydrophobicContact CG-CB 4.4Å; M369-K395 HydrophobicContact CG-CG 4.33Å; M369-K395 HydrophobicContact SD-CB 3.75Å; M369-K395 HydrophobicContact SD-CD 3.82Å; M369-K395 HydrophobicContact SD-CG 3.83Å
370V98.9Very high98.1Very high0 Ų026.4 Ų26.40%015%0.151CC..EExtended strand (participates in β ladder)trans-67.6135.9173.9175.90000108.6I382 L385 V386 L389 T391 Q393 I394 K395V370-I382 HydrophobicContact CG1-CB 3.86Å; V370-I382 HydrophobicContact CG1-CG2 4.3Å; V370-L385 HydrophobicContact CG1-CD2 4.1Å; V370-V386 HydrophobicContact CB-CB 3.86Å; V370-V386 HydrophobicContact CB-CG2 4.01Å; V370-V386 HydrophobicContact CG1-CB 4.25Å; V370-V386 HydrophobicContact CG2-CB 3.87Å; V370-V386 HydrophobicContact CG2-CG2 3.99Å; V370-L389 HydrophobicContact CG2-CD1 4.4Å; V370-T391 HydrophobicContact CG2-CG2 4.06Å; V370-Q393 PolarHBondContact N-O 3.44Å; V370-I394 VanDerWaalsContact O-CA 3.32Å; V370-I394 WeakPolarHBondContact O-CA 3.39Å; V370-I394 WeakPolarHBondContact O-CG1 3.34Å; V370-K395 PolarHBondContact O-N 3.05Å
371S98.9Very high98.1Very high4 Ų424.9 Ų24.93%0.02814%0.143CC..EExtended strand (participates in β ladder)trans-130143.7-171.7-176.70000113.2L343 K395L343-S371 PolarHBondContact O-N 2.86Å; S371-K395 WeakPolarHBondContact CA-O 3.4Å; S371-K395 WeakPolarHBondContact OG-CE 3.26Å; S371-K395 WeakPolarHBondContact OG-CG 3.3Å
372H98.4Very high98.2Very high2 Ų225.3 Ų25.31%0.00915%0.145CC..  trans-68.9-175.8157.472155.5000112.7E210 E376 I382 K395 G397 R404E210-H372 IonicContact OE1-CE1 2.77Å; E210-H372 PolarHBondContact OE1-CE1 3.31Å; E210-H372 IonicContact OE1-NE2 3.7Å; E210-H372 IonicContact OE2-CE1 2.63Å; E210-H372 PolarHBondContact OE2-CE1 3.47Å; E210-H372 IonicContact OE2-NE2 3.62Å; H372-E376 HydrophobicContact CB-CG 3.81Å; H372-I382 HydrophobicContact CB-CD1 3.83Å; H372-K395 PolarHBondContact CD2-O 3.45Å; H372-K395 PolarHBondContact N-O 2.99Å; H372-G397 VanDerWaalsContact CE1-CA 3.49Å; H372-G397 WeakPolarHBondContact CE1-CA 3.25Å; H372-G397 PolarHBondContact CE1-N 3.29Å; H372-R404 PolarHBondContact ND1-NH1 2.86Å
373R97.7Very high98.2Very high5 Ų522.8 Ų22.82%0.01913%0.133CC..  trans-118.5163.9159.5-52.5-61.7-64.6-100.510.6110.3P36 S37 E45 N346 G375 E376 R404P36-R373 HydrophobicContact CB-CB 4.01Å; P36-R373 HydrophobicContact CB-CG 3.8Å; P36-R373 HydrophobicContact CG-CG 3.92Å; S37-R373 WeakPolarHBondContact O-CB 3.47Å; E45-R373 IonicContact OE1-CZ 3.55Å; E45-R373 IonicContact OE1-NH1 3.88Å; E45-R373 IonicContact OE1-NH2 3.41Å; E45-R373 PolarHBondContact OE1-NH2 2.61Å; E45-R373 IonicContact OE2-CZ 2.63Å; E45-R373 IonicContact OE2-NH1 3.62Å; E45-R373 PolarHBondContact OE2-NH1 2.88Å; E45-R373 IonicContact OE2-NH2 2.92Å; E45-R373 PolarHBondContact OE2-NH2 3.18Å; N346-R373 PolarHBondContact ND2-NH1 3.23Å; N346-R373 VanDerWaalsContact OD1-CD 3.27Å; N346-R373 WeakPolarHBondContact OD1-CD 3.49Å; N346-R373 WeakPolarHBondContact OD1-CG 3.4Å; N346-R373 PolarHBondContact OD1-NH1 3.2Å; R373-G375 VanDerWaalsContact C-N 3.3Å; R373-G375 PolarHBondContact O-N 3.29Å; R373-E376 WeakPolarHBondContact O-CG 3.45Å; R373-R404 PolarHBondContact O-NH1 2.95Å
374S94.7Very high98.3Very high4 Ų416.4 Ų16.43%0.02810%0.099CC..SBendtrans-64.7-29.4175.948.40000113.7A39 H158 E210 R404A39-S374 VanDerWaalsContact CB-OG 3.24Å; A39-S374 WeakPolarHBondContact CB-OG 3.36Å; A39-S374 PolarHBondContact N-OG 2.97Å; H158-S374 VanDerWaalsContact NE2-CB 3.31Å; H158-S374 WeakPolarHBondContact NE2-CB 3.37Å; H158-S374 PolarHBondContact NE2-OG 2.96Å; E210-S374 WeakPolarHBondContact OE1-CA 3.37Å; E210-S374 WeakPolarHBondContact OE1-CB 3.2Å; S374-R404 PolarHBondContact O-NH2 2.88Å
375G96.6Very high98.4Very high0 Ų014 Ų140%08%0.082CC..BIsolated β-bridgetrans-95.193.4161.500000111.1P36 S37 R373P36-G375 CarbonylContact C-O 3.5Å; P36-G375 WeakPolarHBondContact CA-O 3.43Å; P36-G375 WeakPolarHBondContact CB-O 3.24Å; S37-G375 PolarHBondContact N-O 2.92Å; S37-G375 CarbonylContact O-C 3.55Å; S37-G375 WeakPolarHBondContact O-CA 3.35Å; S37-G375 PolarHBondContact O-N 3.38Å; R373-G375 VanDerWaalsContact C-N 3.3Å; R373-G375 PolarHBondContact O-N 3.29Å
376E98.4Very high98.4Very high6 Ų611.8 Ų11.83%0.0286%0.059CC..  trans-98.3175.1175.7-103.7-69.9-179.700112.5D13 S14 H372 R373 D403 R404 K407D13-E376 CarbonylContact C-O 3.55Å; D13-E376 WeakPolarHBondContact CA-O 3.29Å; S14-E376 WeakPolarHBondContact CB-O 3.34Å; S14-E376 PolarHBondContact N-O 2.87Å; S14-E376 PolarHBondContact OG-N 2.83Å; S14-E376 VanDerWaalsContact OG-N 3.11Å; S14-E376 PolarHBondContact OG-O 3.44Å; H372-E376 HydrophobicContact CB-CG 3.81Å; R373-E376 WeakPolarHBondContact O-CG 3.45Å; E376-D403 HydrophobicContact CB-CB 3.97Å; E376-R404 VanDerWaalsContact CG-NH1 3.3Å; E376-K407 VanDerWaalsContact CD-CE 3.43Å; E376-K407 WeakPolarHBondContact OE1-CE 3.48Å; E376-K407 IonicContact OE1-NZ 2.94Å; E376-K407 WeakPolarHBondContact OE2-CE 3.45Å; E376-K407 IonicContact OE2-NZ 3.97Å; E376-K407 PolarHBondContact OE2-NZ 3.08Å
377T98.8Very high98.4Very high4 Ų410.9 Ų10.93%0.0256%0.056CC..  trans-122.2-176173.467.40000109.5I11 T19 A34 D379 K407I11-T377 HydrophobicContact CD1-CG2 4.46Å; T19-T377 HydrophobicContact CG2-CG2 3.9Å; A34-T377 HydrophobicContact CB-CG2 3.88Å; T377-D379 PolarHBondContact O-N 2.79Å; T377-D379 VanDerWaalsContact OG1-CB 3.27Å; T377-D379 WeakPolarHBondContact OG1-CB 3.18Å; T377-D379 PolarHBondContact OG1-N 2.94Å; T377-D379 VanDerWaalsContact OG1-N 3.13Å; T377-K407 PolarHBondContact O-NZ 2.8Å
378E98.7Very high98.4Very high124 Ų12410.8 Ų10.858%0.5796%0.055SC*.SBendtrans-73.3-8.8168.764.9-91.8-116.300113.5T380E378-T380 PolarHBondContact O-N 2.81Å
379D98.8Very high98.4Very high18 Ų1810.8 Ų10.810%0.0966%0.055CC..  trans-62.6131.3-178.2-162.6-44.9000111A33 A34 K120 T377 F381 K407A33-D379 WeakPolarHBondContact CA-OD2 3.45Å; A34-D379 HydrophobicContact CB-CB 4.3Å; A34-D379 PolarHBondContact N-OD2 2.8Å; K120-D379 IonicContact NZ-OD1 3.49Å; K120-D379 PolarHBondContact NZ-OD1 3.17Å; K120-D379 IonicContact NZ-OD2 2.77Å; K120-D379 PolarHBondContact NZ-OD2 3.35Å; T377-D379 PolarHBondContact O-N 2.79Å; T377-D379 VanDerWaalsContact OG1-CB 3.27Å; T377-D379 WeakPolarHBondContact OG1-CB 3.18Å; T377-D379 PolarHBondContact OG1-N 2.94Å; T377-D379 VanDerWaalsContact OG1-N 3.13Å; D379-F381 VanDerWaalsContact OD1-CB 3.27Å; D379-F381 WeakPolarHBondContact OD1-CB 3.43Å; D379-F381 PolarHBondContact OD1-N 2.93Å; D379-K407 WeakPolarHBondContact O-CD 3.39Å; D379-K407 WeakPolarHBondContact O-CE 3.39Å; D379-K407 PolarHBondContact O-NZ 2.67Å
380T98.9Very high98.4Very high35 Ų3511 Ų1122%0.2156%0.056CC..  trans-100.111.6-177.262.40000113.6E378 I382 A383 A406 Q410E378-T380 PolarHBondContact O-N 2.81Å; T380-I382 PolarHBondContact O-N 3.33Å; T380-A383 VanDerWaalsContact O-CB 3.29Å; T380-A383 WeakPolarHBondContact O-CB 3.49Å; T380-A383 PolarHBondContact O-N 3.22Å; T380-A406 HydrophobicContact CG2-CB 3.84Å; T380-A406 VanDerWaalsContact CG2-O 3.29Å; T380-A406 WeakPolarHBondContact CG2-O 3.36Å; T380-Q410 HydrophobicContact CG2-CB 4.08Å
381F98.9Very high98.4Very high5 Ų511 Ų112%0.0226%0.056CC..Hα-helixtrans-49.1-42.2-171.5-171.1-86.7000113.7L116 C119 L130 I134 L351 D379 A383 D384 L385L116-F381 HydrophobicContact CB-CD2 4.24Å; L116-F381 HydrophobicContact CB-CE2 4.28Å; L116-F381 HydrophobicContact CD1-CG 4.39Å; L116-F381 HydrophobicContact CD2-CD1 3.75Å; L116-F381 HydrophobicContact CD2-CD2 4.05Å; L116-F381 HydrophobicContact CD2-CE1 3.47Å; L116-F381 VanDerWaalsContact CD2-CE1 3.47Å; L116-F381 HydrophobicContact CD2-CE2 3.79Å; L116-F381 HydrophobicContact CD2-CG 4.05Å; L116-F381 HydrophobicContact CD2-CZ 3.51Å; C119-F381 HydrophobicContact CB-CE2 4.06Å; C119-F381 HydrophobicContact CB-CZ 4.33Å; L130-F381 HydrophobicContact CD1-CE2 4.3Å; L130-F381 HydrophobicContact CD2-CD2 3.92Å; L130-F381 HydrophobicContact CD2-CE2 4.11Å; I134-F381 HydrophobicContact CD1-CE1 4.23Å; I134-F381 HydrophobicContact CD1-CE2 4.31Å; I134-F381 HydrophobicContact CD1-CZ 3.83Å; L351-F381 HydrophobicContact CD1-CE1 3.85Å; L351-F381 HydrophobicContact CD1-CZ 3.81Å; L351-F381 HydrophobicContact CD2-CZ 3.87Å; L351-F381 HydrophobicContact CG-CZ 4.44Å; D379-F381 VanDerWaalsContact OD1-CB 3.27Å; D379-F381 WeakPolarHBondContact OD1-CB 3.43Å; D379-F381 PolarHBondContact OD1-N 2.93Å; F381-A383 VanDerWaalsContact C-N 3.25Å; F381-A383 PolarHBondContact O-N 3.03Å; F381-D384 PolarHBondContact O-N 2.95Å; F381-L385 HydrophobicContact CD1-CB 4.21Å; F381-L385 HydrophobicContact CD1-CD2 4.43Å; F381-L385 HydrophobicContact CE1-CB 4.1Å; F381-L385 HydrophobicContact CE1-CD1 4.02Å; F381-L385 HydrophobicContact CE1-CD2 4.19Å; F381-L385 HydrophobicContact CE1-CG 4.34Å; F381-L385 WeakPolarHBondContact O-CB 3.35Å; F381-L385 PolarHBondContact O-N 2.89Å
382I98.9Very high98.4Very high10 Ų1010.8 Ų10.85%0.0516%0.055CC..Hα-helixtrans-68.4-21.2-176.964.5170.5000114V370 H372 T380 L385 V386 I394 K407V370-I382 HydrophobicContact CG1-CB 3.86Å; V370-I382 HydrophobicContact CG1-CG2 4.3Å; H372-I382 HydrophobicContact CB-CD1 3.83Å; T380-I382 PolarHBondContact O-N 3.33Å; I382-L385 PolarHBondContact O-N 3.47Å; I382-V386 WeakPolarHBondContact O-CG1 3.47Å; I382-V386 PolarHBondContact O-N 3.42Å; I382-I394 HydrophobicContact CD1-CD1 4.36Å; I382-I394 HydrophobicContact CG1-CD1 4.31Å; I382-K407 HydrophobicContact CD1-CG 4.01Å; I382-K407 HydrophobicContact CG1-CG 3.58Å
383A98.9Very high98.4Very high0 Ų010.7 Ų10.70%05%0.054CC..Hα-helixtrans-68.8-43.2172.400000111.3T380 F381 V386 V387 K407 Q410 L411T380-A383 VanDerWaalsContact O-CB 3.29Å; T380-A383 WeakPolarHBondContact O-CB 3.49Å; T380-A383 PolarHBondContact O-N 3.22Å; F381-A383 VanDerWaalsContact C-N 3.25Å; F381-A383 PolarHBondContact O-N 3.03Å; A383-V386 VanDerWaalsContact O-CG1 3.28Å; A383-V386 WeakPolarHBondContact O-CG1 3.47Å; A383-V387 WeakPolarHBondContact O-CG2 3.37Å; A383-K407 HydrophobicContact CB-CB 4.23Å; A383-K407 WeakPolarHBondContact CB-O 3.43Å; A383-Q410 HydrophobicContact CB-CB 3.76Å; A383-Q410 HydrophobicContact CB-CG 3.68Å; A383-L411 HydrophobicContact CB-CD2 4.13Å; A383-L411 HydrophobicContact CB-CG 3.88Å; A383-L411 WeakPolarHBondContact O-CD2 3.31Å
384D98.9Very high98.5Very high8 Ų810.5 Ų10.54%0.0435%0.054CC..Hα-helixtrans-70.5-35.3173-72.5-98.8000111.6L130 Y131 I134 F381 G388 Q410L130-D384 HydrophobicContact CB-CB 4.1Å; L130-D384 WeakPolarHBondContact CB-OD1 3.34Å; L130-D384 HydrophobicContact CD2-CB 3.76Å; L130-D384 HydrophobicContact CG-CB 3.77Å; Y131-D384 WeakPolarHBondContact CB-O 3.49Å; Y131-D384 PolarHBondContact N-OD1 2.92Å; Y131-D384 VanDerWaalsContact N-OD1 3.07Å; I134-D384 HydrophobicContact CD1-CB 4.21Å; F381-D384 PolarHBondContact O-N 2.95Å; D384-G388 PolarHBondContact O-N 2.96Å; D384-Q410 PolarHBondContact OD2-NE2 3.25Å; D384-Q410 VanDerWaalsContact OD2-NE2 3.09Å
385L98.9Very high98.7Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-62.7-49.5178.7-173.764.5000112.3I134 L343 V345 L351 V370 F381 I382 V387 G388 L389I134-L385 HydrophobicContact CD1-CB 4.36Å; I134-L385 HydrophobicContact CD1-CD1 4.25Å; I134-L385 HydrophobicContact CG2-CD1 3.89Å; L343-L385 HydrophobicContact CD2-CD2 3.91Å; V345-L385 HydrophobicContact CG1-CD2 3.47Å; V345-L385 VanDerWaalsContact CG1-CD2 3.47Å; L351-L385 HydrophobicContact CD1-CD1 3.81Å; V370-L385 HydrophobicContact CG1-CD2 4.1Å; F381-L385 HydrophobicContact CD1-CB 4.21Å; F381-L385 HydrophobicContact CD1-CD2 4.43Å; F381-L385 HydrophobicContact CE1-CB 4.1Å; F381-L385 HydrophobicContact CE1-CD1 4.02Å; F381-L385 HydrophobicContact CE1-CD2 4.19Å; F381-L385 HydrophobicContact CE1-CG 4.34Å; F381-L385 WeakPolarHBondContact O-CB 3.35Å; F381-L385 PolarHBondContact O-N 2.89Å; I382-L385 PolarHBondContact O-N 3.47Å; L385-V387 VanDerWaalsContact C-N 3.29Å; L385-V387 PolarHBondContact O-N 3.29Å; L385-G388 PolarHBondContact O-N 2.86Å; L385-L389 HydrophobicContact CD1-CD1 3.6Å; L385-L389 HydrophobicContact CD1-CG 3.82Å; L385-L389 HydrophobicContact CD2-CD1 4.37Å; L385-L389 HydrophobicContact CG-CD1 3.69Å; L385-L389 HydrophobicContact CG-CG 4.19Å; L385-L389 VanDerWaalsContact O-CB 3.28Å; L385-L389 WeakPolarHBondContact O-CB 3.43Å; L385-L389 VanDerWaalsContact O-CG 3.32Å; L385-L389 WeakPolarHBondContact O-CG 3.3Å; L385-L389 PolarHBondContact O-N 3.33Å
386V98.9Very high98.8Very high0 Ų010.3 Ų10.30%05%0.052CC..Hα-helixtrans-62.4-38.1-177.866.90000112.2P146 V370 I382 A383 C390 T391 Q393 I394 L411P146-V386 HydrophobicContact CB-CG1 4.37Å; P146-V386 HydrophobicContact CB-CG2 3.64Å; P146-V386 HydrophobicContact CG-CG1 3.73Å; P146-V386 HydrophobicContact CG-CG2 3.96Å; V370-V386 HydrophobicContact CB-CB 3.86Å; V370-V386 HydrophobicContact CB-CG2 4.01Å; V370-V386 HydrophobicContact CG1-CB 4.25Å; V370-V386 HydrophobicContact CG2-CB 3.87Å; V370-V386 HydrophobicContact CG2-CG2 3.99Å; I382-V386 WeakPolarHBondContact O-CG1 3.47Å; I382-V386 PolarHBondContact O-N 3.42Å; A383-V386 VanDerWaalsContact O-CG1 3.28Å; A383-V386 WeakPolarHBondContact O-CG1 3.47Å; V386-C390 PolarHBondContact O-N 3.24Å; V386-T391 WeakPolarHBondContact CG2-OG1 3.44Å; V386-T391 PolarHBondContact O-N 3.01Å; V386-Q393 WeakPolarHBondContact CG2-O 3.29Å; V386-I394 HydrophobicContact CB-CB 4.29Å; V386-I394 HydrophobicContact CB-CD1 4.28Å; V386-I394 HydrophobicContact CG1-CB 4.23Å; V386-I394 HydrophobicContact CG1-CD1 3.85Å; V386-I394 HydrophobicContact CG2-CB 3.91Å; V386-L411 HydrophobicContact CG1-CD2 3.88Å
387V98.8Very high98.8Very high0 Ų010.1 Ų10.10%05%0.052CC..Hα-helixtrans-69.7-46.8176.8174.80000110.2Y131 V143 M145 A383 L385 L389 C390 L411 I414Y131-V387 HydrophobicContact CD2-CG1 3.81Å; Y131-V387 HydrophobicContact CG-CG1 4.14Å; V143-V387 HydrophobicContact CB-CG1 3.67Å; V143-V387 HydrophobicContact CG1-CG1 4.2Å; V143-V387 HydrophobicContact CG2-CG1 3.9Å; M145-V387 HydrophobicContact CE-CG2 4.23Å; M145-V387 HydrophobicContact SD-CG2 3.93Å; A383-V387 WeakPolarHBondContact O-CG2 3.37Å; L385-V387 VanDerWaalsContact C-N 3.29Å; L385-V387 PolarHBondContact O-N 3.29Å; V387-L389 PolarHBondContact O-N 2.75Å; V387-C390 PolarHBondContact O-N 2.55Å; V387-L411 HydrophobicContact CG2-CD2 3.57Å; V387-I414 HydrophobicContact CG1-CG2 4.02Å; V387-I414 HydrophobicContact CG2-CD1 4.34Å; V387-I414 HydrophobicContact CG2-CG2 4.18Å
388G98.6Very high98.8Very high0 Ų09.9 Ų9.90%05%0.05CC..Hα-helixtrans-67-33.6-179.500000114Y131 A135 H140 D384 L385 C390Y131-G388 VanDerWaalsContact O-CA 3.29Å; Y131-G388 WeakPolarHBondContact O-CA 3.27Å; A135-G388 WeakPolarHBondContact CA-O 3.38Å; H140-G388 PolarHBondContact CD2-O 2.79Å; D384-G388 PolarHBondContact O-N 2.96Å; L385-G388 PolarHBondContact O-N 2.86Å; G388-C390 VanDerWaalsContact C-N 3.28Å
389L98.6Very high98.8Very high1 Ų14.6 Ų4.61%0.0053%0.027CC..THydrogen-bonded Turntrans-83.4-2.2176.5-70.7-176.9000113.9I134 A138 H140 L343 I355 C358 Q362 V370 L385 V387 T391I134-L389 HydrophobicContact CG2-CD2 4.43Å; I134-L389 HydrophobicContact CG2-CG 4.37Å; A138-L389 HydrophobicContact CB-CD2 3.83Å; H140-L389 PolarHBondContact NE2-O 2.88Å; L343-L389 HydrophobicContact CD1-CD1 3.94Å; I355-L389 HydrophobicContact CG1-CD2 4.09Å; I355-L389 HydrophobicContact CG2-CD2 4.46Å; C358-L389 HydrophobicContact CB-CD1 4.08Å; C358-L389 HydrophobicContact CB-CD2 4.34Å; Q362-L389 PolarHBondContact NE2-O 3.5Å; V370-L389 HydrophobicContact CG2-CD1 4.4Å; L385-L389 HydrophobicContact CD1-CD1 3.6Å; L385-L389 HydrophobicContact CD1-CG 3.82Å; L385-L389 HydrophobicContact CD2-CD1 4.37Å; L385-L389 HydrophobicContact CG-CD1 3.69Å; L385-L389 HydrophobicContact CG-CG 4.19Å; L385-L389 VanDerWaalsContact O-CB 3.28Å; L385-L389 WeakPolarHBondContact O-CB 3.43Å; L385-L389 VanDerWaalsContact O-CG 3.32Å; L385-L389 WeakPolarHBondContact O-CG 3.3Å; L385-L389 PolarHBondContact O-N 3.33Å; V387-L389 PolarHBondContact O-N 2.75Å; L389-T391 HydrophobicContact CB-CG2 3.51Å; L389-T391 HydrophobicContact CD1-CG2 4.41Å; L389-T391 PolarHBondContact O-N 3.49Å; L389-T391 VanDerWaalsContact O-N 3.12Å
390C98.5Very high98.8Very high4 Ų45.3 Ų5.33%0.0273%0.033CC..THydrogen-bonded Turntrans52.337.2179-64.60000114.1D142 V143 I144 V386 V387 G388 P432 V434D142-C390 PolarHBondContact O-SG 3.19Å; V143-C390 VanDerWaalsContact CA-SG 3.6Å; I144-C390 HydrophobicContact CG2-CB 4.25Å; V386-C390 PolarHBondContact O-N 3.24Å; V387-C390 PolarHBondContact O-N 2.55Å; G388-C390 VanDerWaalsContact C-N 3.28Å; C390-P432 WeakPolarHBondContact O-CG 3.39Å; C390-V434 HydrophobicContact CB-CG1 3.58Å
391T98.7Very high98.8Very high1 Ų17.1 Ų7.11%0.0064%0.035CC..  trans-82.1-22.4-170.165.20000113.4V368 V370 V386 L389 Q393V368-T391 HydrophobicContact CB-CG2 3.82Å; V368-T391 HydrophobicContact CG1-CG2 3.88Å; V368-T391 VanDerWaalsContact O-CB 3.29Å; V368-T391 WeakPolarHBondContact O-CB 3Å; V370-T391 HydrophobicContact CG2-CG2 4.06Å; V386-T391 WeakPolarHBondContact CG2-OG1 3.44Å; V386-T391 PolarHBondContact O-N 3.01Å; L389-T391 HydrophobicContact CB-CG2 3.51Å; L389-T391 HydrophobicContact CD1-CG2 4.41Å; L389-T391 PolarHBondContact O-N 3.49Å; L389-T391 VanDerWaalsContact O-N 3.12Å; T391-Q393 VanDerWaalsContact C-N 3.3Å; T391-Q393 PolarHBondContact O-N 2.88Å; T391-Q393 PolarHBondContact OG1-O 3.17Å
392G98.7Very high98.8Very high0 Ų011.3 Ų11.30%07%0.065CC..SBendtrans81.6-1.7174.400000115.4P146 V147 A425 F429P146-G392 CarbonylContact C-O 3.57Å; P146-G392 WeakPolarHBondContact CA-O 3.5Å; V147-G392 PolarHBondContact N-O 2.83Å; G392-A425 WeakPolarHBondContact O-CB 3.23Å; G392-F429 CarbonylContact C-O 3.47Å
393Q98.9Very high98.7Very high0 Ų011.6 Ų11.60%07%0.067CC..EExtended strand (participates in β ladder)trans-155139.6-178.948-179.8-31.400112.1V147 V368 M369 V370 V386 T391 F429V147-Q393 WeakPolarHBondContact O-CA 3.47Å; V368-Q393 WeakPolarHBondContact O-CG 3.43Å; V368-Q393 PolarHBondContact O-NE2 2.98Å; M369-Q393 HydrophobicContact CB-CG 3.96Å; M369-Q393 HydrophobicContact CG-CG 4.34Å; V370-Q393 PolarHBondContact N-O 3.44Å; V386-Q393 WeakPolarHBondContact CG2-O 3.29Å; T391-Q393 VanDerWaalsContact C-N 3.3Å; T391-Q393 PolarHBondContact O-N 2.88Å; T391-Q393 PolarHBondContact OG1-O 3.17Å; Q393-F429 HydrophobicContact CB-CB 4.37Å; Q393-F429 HydrophobicContact CB-CD2 4.07Å; Q393-F429 HydrophobicContact CG-CD2 4.25Å; Q393-F429 PolarHBondContact NE2-O 2.9Å; Q393-F429 VanDerWaalsContact OE1-CD2 3.28Å
394I98.9Very high98.7Very high0 Ų011.6 Ų11.60%07%0.067CC..EExtended strand (participates in β ladder)trans-135.4136.7177.2-176.2166.7000110P146 V147 A149 V370 I382 V386 T396 L411P146-I394 HydrophobicContact CB-CB 4.35Å; P146-I394 HydrophobicContact CB-CG2 3.94Å; P146-I394 HydrophobicContact CG-CB 4.32Å; P146-I394 HydrophobicContact CG-CG2 3.62Å; V147-I394 PolarHBondContact O-N 3.11Å; A149-I394 PolarHBondContact N-O 3.18Å; V370-I394 VanDerWaalsContact O-CA 3.32Å; V370-I394 WeakPolarHBondContact O-CA 3.39Å; V370-I394 WeakPolarHBondContact O-CG1 3.34Å; I382-I394 HydrophobicContact CD1-CD1 4.36Å; I382-I394 HydrophobicContact CG1-CD1 4.31Å; V386-I394 HydrophobicContact CB-CB 4.29Å; V386-I394 HydrophobicContact CB-CD1 4.28Å; V386-I394 HydrophobicContact CG1-CB 4.23Å; V386-I394 HydrophobicContact CG1-CD1 3.85Å; V386-I394 HydrophobicContact CG2-CB 3.91Å; I394-T396 HydrophobicContact CD1-CG2 3.91Å; I394-T396 HydrophobicContact CG1-CG2 4.05Å; I394-L411 HydrophobicContact CD1-CD1 4.35Å; I394-L411 HydrophobicContact CG2-CD1 3.98Å
395K98.9Very high98.7Very high1 Ų113.3 Ų13.30%0.0048%0.076CC..EExtended strand (participates in β ladder)trans-109117.9161.574.5175.8-163.4170.30109.9A149 E167 M169 D245 E294 L342 M369 V370 S371 H372A149-K395 HydrophobicContact CB-CB 4.06Å; E167-K395 IonicContact OE1-NZ 2.71Å; E167-K395 IonicContact OE2-NZ 3.36Å; E167-K395 PolarHBondContact OE2-NZ 3.24Å; M169-K395 HydrophobicContact SD-CB 4.18Å; M169-K395 HydrophobicContact SD-CD 4.17Å; D245-K395 IonicContact OD2-NZ 3.39Å; E294-K395 IonicContact OE1-NZ 3.59Å; E294-K395 PolarHBondContact OE1-NZ 2.87Å; E294-K395 WeakPolarHBondContact OE2-CE 3.36Å; E294-K395 IonicContact OE2-NZ 3.5Å; E294-K395 PolarHBondContact OE2-NZ 2.65Å; L342-K395 HydrophobicContact CD1-CD 3.77Å; L342-K395 VanDerWaalsContact CD1-CE 3.49Å; L342-K395 HydrophobicContact CD1-CG 4.14Å; L342-K395 VanDerWaalsContact CD2-CE 3.47Å; M369-K395 HydrophobicContact CG-CB 4.4Å; M369-K395 HydrophobicContact CG-CG 4.33Å; M369-K395 HydrophobicContact SD-CB 3.75Å; M369-K395 HydrophobicContact SD-CD 3.82Å; M369-K395 HydrophobicContact SD-CG 3.83Å; V370-K395 PolarHBondContact O-N 3.05Å; S371-K395 WeakPolarHBondContact CA-O 3.4Å; S371-K395 WeakPolarHBondContact OG-CE 3.26Å; S371-K395 WeakPolarHBondContact OG-CG 3.3Å; H372-K395 PolarHBondContact CD2-O 3.45Å; H372-K395 PolarHBondContact N-O 2.99Å
396T98.8Very high98.7Very high0 Ų014.2 Ų14.20%08%0.084CC..  trans-141.737.5179.9-175.10000112.5I394 R404 K407 Y408I394-T396 HydrophobicContact CD1-CG2 3.91Å; I394-T396 HydrophobicContact CG1-CG2 4.05Å; T396-R404 WeakPolarHBondContact O-CA 2.98Å; T396-R404 WeakPolarHBondContact O-CB 3.08Å; T396-R404 WeakPolarHBondContact O-CD 3.49Å; T396-K407 HydrophobicContact CG2-CB 3.8Å; T396-Y408 HydrophobicContact CG2-CD1 3.71Å; T396-Y408 HydrophobicContact CG2-CD2 4.25Å; T396-Y408 HydrophobicContact CG2-CE1 3.22Å; T396-Y408 HydrophobicContact CG2-CE2 3.82Å; T396-Y408 HydrophobicContact CG2-CG 4.2Å; T396-Y408 PolarHBondContact N-OH 2.91Å
397G98.6Very high98.7Very high1 Ų114.2 Ų14.21%0.018%0.084CC..  trans89.5-175.117400000114.9F150 N151 H372 Y408F150-G397 WeakPolarHBondContact CA-O 3.49Å; N151-G397 PolarHBondContact N-O 2.8Å; H372-G397 VanDerWaalsContact CE1-CA 3.49Å; H372-G397 WeakPolarHBondContact CE1-CA 3.25Å; H372-G397 PolarHBondContact CE1-N 3.29Å; G397-Y408 WeakPolarHBondContact O-CE2 3.39Å; G397-Y408 PolarHBondContact O-OH 3.1Å
398A98.7Very high98.7Very high0 Ų014.2 Ų14.20%08%0.084CC..  trans-64.5165.6173.700000111.7N151 Y189 E210 G211 C400 R404N151-A398 WeakPolarHBondContact O-CA 3.43Å; N151-A398 WeakPolarHBondContact O-CB 3.39Å; N151-A398 PolarHBondContact O-N 3.22Å; Y189-A398 HydrophobicContact CE2-CB 4.16Å; E210-A398 WeakPolarHBondContact O-CB 3.46Å; E210-A398 PolarHBondContact O-N 3.01Å; G211-A398 WeakPolarHBondContact O-CB 3.25Å; A398-C400 HydrophobicContact CB-CB 3.99Å; A398-C400 PolarHBondContact O-N 3.44Å; A398-R404 WeakPolarHBondContact O-CB 3.37Å
399P98.8Very high98.7Very high12 Ų1217.2 Ų17.28%0.07810%0.1CC..SBendtrans-72.747161.234.6-36.7000111.2F150 T186 Y189 L405F150-P399 HydrophobicContact CD1-CB 4.35Å; F150-P399 HydrophobicContact CD1-CG 4.42Å; F150-P399 HydrophobicContact CE1-CB 4.41Å; T186-P399 HydrophobicContact CG2-CB 3.74Å; T186-P399 HydrophobicContact CG2-CG 4.36Å; Y189-P399 HydrophobicContact CD1-CG 3.92Å; Y189-P399 HydrophobicContact CD2-CG 4.31Å; Y189-P399 HydrophobicContact CG-CG 3.69Å; P399-L405 HydrophobicContact CB-CD2 4.43Å
400C98.7Very high98.8Very high33 Ų3318.9 Ų18.922%0.22311%0.108CC..  trans-149.9148.8-178.2-170.80000109.1Y189 G211 A398 R404Y189-C400 HydrophobicContact CE1-CB 3.89Å; Y189-C400 WeakPolarHBondContact OH-CB 3.44Å; G211-C400 WeakPolarHBondContact O-CB 3.36Å; A398-C400 HydrophobicContact CB-CB 3.99Å; A398-C400 PolarHBondContact O-N 3.44Å; C400-R404 WeakPolarHBondContact O-CB 3.05Å; C400-R404 VanDerWaalsContact O-CG 3.3Å; C400-R404 WeakPolarHBondContact O-CG 3.3Å
401R98.4Very high98.8Very high73 Ų7318.7 Ų18.728%0.27511%0.106SC..SBendtrans67.7131-171.2-47.2169.956118.24.2113.2S14 G208 D209 D403 R404 L405S14-R401 PolarHBondContact O-NH2 3.24Å; G208-R401 PolarHBondContact O-NH1 3.22Å; D209-R401 PolarHBondContact O-NE 2.9Å; R401-D403 VanDerWaalsContact C-N 3.31Å; R401-D403 WeakPolarHBondContact CB-OD1 3.46Å; R401-D403 IonicContact NE-OD1 2.77Å; R401-D403 PolarHBondContact O-N 3.05Å; R401-R404 HydrophobicContact CB-CG 4.26Å; R401-R404 WeakPolarHBondContact O-CB 3.28Å; R401-R404 PolarHBondContact O-N 3.33Å; R401-L405 PolarHBondContact O-N 2.96Å
402S98.7Very high98.8Very high93 Ų9321 Ų2165%0.6512%0.119SC*.Hα-helixtrans-72.8-20.9-168.5-60.80000114.3R404 A406S402-R404 PolarHBondContact O-N 2.73Å; S402-A406 WeakPolarHBondContact O-CB 2.93Å; S402-A406 PolarHBondContact O-N 3.48Å
403D98.6Very high98.8Very high17 Ų1727.2 Ų27.29%0.09114%0.142CC..Hα-helixtrans-63.9-24.7170.461.4-58.3000112.1S14 E376 R401 K407S14-D403 WeakPolarHBondContact CB-OD2 3.42Å; S14-D403 PolarHBondContact OG-OD2 2.97Å; E376-D403 HydrophobicContact CB-CB 3.97Å; R401-D403 VanDerWaalsContact C-N 3.31Å; R401-D403 WeakPolarHBondContact CB-OD1 3.46Å; R401-D403 IonicContact NE-OD1 2.77Å; R401-D403 PolarHBondContact O-N 3.05Å; D403-K407 VanDerWaalsContact O-CD 3.3Å; D403-K407 WeakPolarHBondContact O-CD 3.25Å; D403-K407 WeakPolarHBondContact O-CE 3.44Å; D403-K407 PolarHBondContact O-NZ 2.97Å
404R98.7Very high98.8Very high0 Ų027.2 Ų27.20%014%0.142CC..Hα-helixtrans-86.3-55.5171.9-44.7-48.8171-174.4-0110.8D209 H372 R373 S374 E376 T396 A398 C400 R401 S402 A406 K407 Y408D209-R404 PolarHBondContact O-NH2 2.93Å; H372-R404 PolarHBondContact ND1-NH1 2.86Å; R373-R404 PolarHBondContact O-NH1 2.95Å; S374-R404 PolarHBondContact O-NH2 2.88Å; E376-R404 VanDerWaalsContact CG-NH1 3.3Å; T396-R404 WeakPolarHBondContact O-CA 2.98Å; T396-R404 WeakPolarHBondContact O-CB 3.08Å; T396-R404 WeakPolarHBondContact O-CD 3.49Å; A398-R404 WeakPolarHBondContact O-CB 3.37Å; C400-R404 WeakPolarHBondContact O-CB 3.05Å; C400-R404 VanDerWaalsContact O-CG 3.3Å; C400-R404 WeakPolarHBondContact O-CG 3.3Å; R401-R404 HydrophobicContact CB-CG 4.26Å; R401-R404 WeakPolarHBondContact O-CB 3.28Å; R401-R404 PolarHBondContact O-N 3.33Å; S402-R404 PolarHBondContact O-N 2.73Å; R404-A406 PolarHBondContact O-N 2.66Å; R404-A406 VanDerWaalsContact O-N 3.14Å; R404-K407 PolarHBondContact O-N 2.85Å; R404-Y408 PolarHBondContact O-N 2.98Å
405L98.9Very high98.8Very high43 Ų4328.2 Ų28.223%0.22515%0.146CC..Hα-helixtrans-61.1-25.6-177.9-66.9168.3000112.8P399 R401 K407 Y408 N409P399-L405 HydrophobicContact CB-CD2 4.43Å; R401-L405 PolarHBondContact O-N 2.96Å; L405-K407 VanDerWaalsContact C-N 3.26Å; L405-K407 PolarHBondContact O-N 3.25Å; L405-Y408 HydrophobicContact CD2-CD2 4.49Å; L405-Y408 PolarHBondContact O-N 2.73Å; L405-N409 WeakPolarHBondContact O-CB 3.3Å; L405-N409 PolarHBondContact O-N 2.94Å; L405-N409 PolarHBondContact O-ND2 2.84Å; L405-N409 VanDerWaalsContact O-ND2 3.15Å
406A98.9Very high98.8Very high20 Ų2036 Ų3617%0.16518%0.183CC..Hα-helixtrans-56.8-41.5174.600000111.7T380 S402 R404 Q410T380-A406 HydrophobicContact CG2-CB 3.84Å; T380-A406 VanDerWaalsContact CG2-O 3.29Å; T380-A406 WeakPolarHBondContact CG2-O 3.36Å; S402-A406 WeakPolarHBondContact O-CB 2.93Å; S402-A406 PolarHBondContact O-N 3.48Å; R404-A406 PolarHBondContact O-N 2.66Å; R404-A406 VanDerWaalsContact O-N 3.14Å; A406-Q410 WeakPolarHBondContact O-CB 3.39Å; A406-Q410 PolarHBondContact O-N 2.8Å
407K98.9Very high98.8Very high0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-72.8-46.6178.6-72.464.3159.6171.70111E376 T377 D379 I382 A383 T396 D403 R404 L405 N409 Q410 L411E376-K407 VanDerWaalsContact CD-CE 3.43Å; E376-K407 WeakPolarHBondContact OE1-CE 3.48Å; E376-K407 IonicContact OE1-NZ 2.94Å; E376-K407 WeakPolarHBondContact OE2-CE 3.45Å; E376-K407 IonicContact OE2-NZ 3.97Å; E376-K407 PolarHBondContact OE2-NZ 3.08Å; T377-K407 PolarHBondContact O-NZ 2.8Å; D379-K407 WeakPolarHBondContact O-CD 3.39Å; D379-K407 WeakPolarHBondContact O-CE 3.39Å; D379-K407 PolarHBondContact O-NZ 2.67Å; I382-K407 HydrophobicContact CD1-CG 4.01Å; I382-K407 HydrophobicContact CG1-CG 3.58Å; A383-K407 HydrophobicContact CB-CB 4.23Å; A383-K407 WeakPolarHBondContact CB-O 3.43Å; T396-K407 HydrophobicContact CG2-CB 3.8Å; D403-K407 VanDerWaalsContact O-CD 3.3Å; D403-K407 WeakPolarHBondContact O-CD 3.25Å; D403-K407 WeakPolarHBondContact O-CE 3.44Å; D403-K407 PolarHBondContact O-NZ 2.97Å; R404-K407 PolarHBondContact O-N 2.85Å; L405-K407 VanDerWaalsContact C-N 3.26Å; L405-K407 PolarHBondContact O-N 3.25Å; K407-N409 VanDerWaalsContact C-N 3.34Å; K407-N409 PolarHBondContact O-N 2.7Å; K407-Q410 WeakPolarHBondContact O-CB 3.17Å; K407-Q410 PolarHBondContact O-N 3.09Å; K407-Q410 VanDerWaalsContact O-N 3.12Å; K407-L411 PolarHBondContact O-N 2.84Å
408Y98.9Very high98.8Very high0 Ų042.1 Ų42.10%021%0.212CC..Hα-helixtrans-61.4-41.9176.8-66.5-49000112.4P148 F150 F178 M182 T396 G397 R404 L405 Q410 L411 L412P148-Y408 HydrophobicContact CB-CD1 4.27Å; P148-Y408 HydrophobicContact CB-CE1 3.63Å; F150-Y408 HydrophobicContact CD1-CD2 4.48Å; F150-Y408 HydrophobicContact CD1-CE1 4.06Å; F150-Y408 AromaticContact CD1-CE2 3.7Å; F150-Y408 HydrophobicContact CD1-CE2 3.7Å; F150-Y408 AromaticContact CD1-CZ 3.45Å; F150-Y408 VanDerWaalsContact CD1-CZ 3.45Å; F150-Y408 WeakPolarHBondContact CD1-OH 3.5Å; F150-Y408 HydrophobicContact CE1-CD1 4.03Å; F150-Y408 HydrophobicContact CE1-CD2 4.07Å; F150-Y408 AromaticContact CE1-CE1 3.64Å; F150-Y408 HydrophobicContact CE1-CE1 3.64Å; F150-Y408 AromaticContact CE1-CE2 3.7Å; F150-Y408 HydrophobicContact CE1-CE2 3.7Å; F150-Y408 HydrophobicContact CE1-CG 4.23Å; F150-Y408 AromaticContact CE1-CZ 3.46Å; F150-Y408 VanDerWaalsContact CE1-CZ 3.46Å; F150-Y408 HydrophobicContact CZ-CE1 4.46Å; F178-Y408 WeakPolarHBondContact CE1-O 3.35Å; F178-Y408 HydrophobicContact CZ-CD1 4.02Å; M182-Y408 HydrophobicContact CE-CG 4.26Å; M182-Y408 HydrophobicContact SD-CD1 4.02Å; M182-Y408 HydrophobicContact SD-CG 3.86Å; T396-Y408 HydrophobicContact CG2-CD1 3.71Å; T396-Y408 HydrophobicContact CG2-CD2 4.25Å; T396-Y408 HydrophobicContact CG2-CE1 3.22Å; T396-Y408 HydrophobicContact CG2-CE2 3.82Å; T396-Y408 HydrophobicContact CG2-CG 4.2Å; T396-Y408 PolarHBondContact N-OH 2.91Å; G397-Y408 WeakPolarHBondContact O-CE2 3.39Å; G397-Y408 PolarHBondContact O-OH 3.1Å; R404-Y408 PolarHBondContact O-N 2.98Å; L405-Y408 HydrophobicContact CD2-CD2 4.49Å; L405-Y408 PolarHBondContact O-N 2.73Å; Y408-Q410 VanDerWaalsContact C-N 3.3Å; Y408-Q410 PolarHBondContact O-N 3.08Å; Y408-L411 HydrophobicContact CD1-CD1 4.44Å; Y408-L411 WeakPolarHBondContact O-CB 3.39Å; Y408-L411 PolarHBondContact O-N 3.47Å; Y408-L412 PolarHBondContact O-N 3.47Å
409N98.9Very high98.7Very high63 Ų6344.1 Ų44.134%0.33723%0.233SC..Hα-helixtrans-66.4-33.1174.8-69.8-24.6000111.8L405 K407 L412 R413L405-N409 WeakPolarHBondContact O-CB 3.3Å; L405-N409 PolarHBondContact O-N 2.94Å; L405-N409 PolarHBondContact O-ND2 2.84Å; L405-N409 VanDerWaalsContact O-ND2 3.15Å; K407-N409 VanDerWaalsContact C-N 3.34Å; K407-N409 PolarHBondContact O-N 2.7Å; N409-L412 PolarHBondContact O-N 2.96Å; N409-R413 WeakPolarHBondContact O-CG 3.28Å; N409-R413 PolarHBondContact O-N 3.47Å; N409-R413 VanDerWaalsContact O-N 3.15Å
410Q98.9Very high98.6Very high36 Ų3651.1 Ų51.117%0.16828%0.275CS..Hα-helixtrans-66.2-39.9172.4-179.861.56.600111.6T380 A383 D384 A406 K407 Y408 L412 R413 I414T380-Q410 HydrophobicContact CG2-CB 4.08Å; A383-Q410 HydrophobicContact CB-CB 3.76Å; A383-Q410 HydrophobicContact CB-CG 3.68Å; D384-Q410 PolarHBondContact OD2-NE2 3.25Å; D384-Q410 VanDerWaalsContact OD2-NE2 3.09Å; A406-Q410 WeakPolarHBondContact O-CB 3.39Å; A406-Q410 PolarHBondContact O-N 2.8Å; K407-Q410 WeakPolarHBondContact O-CB 3.17Å; K407-Q410 PolarHBondContact O-N 3.09Å; K407-Q410 VanDerWaalsContact O-N 3.12Å; Y408-Q410 VanDerWaalsContact C-N 3.3Å; Y408-Q410 PolarHBondContact O-N 3.08Å; Q410-L412 PolarHBondContact O-N 3.01Å; Q410-R413 WeakPolarHBondContact O-CB 3.27Å; Q410-R413 PolarHBondContact O-N 2.93Å; Q410-R413 VanDerWaalsContact O-N 3.16Å; Q410-I414 HydrophobicContact CG-CD1 4.04Å; Q410-I414 WeakPolarHBondContact O-CG1 3.25Å; Q410-I414 PolarHBondContact O-N 3.26Å
411L99Very high98.5Very high0 Ų052.4 Ų52.40%029%0.288CS..Hα-helixtrans-63.4-38.2173.9-70.4168.3000112.5M145 P146 F178 A383 V386 V387 I394 K407 Y408 R413 I414 E415M145-L411 HydrophobicContact CE-CB 3.97Å; M145-L411 HydrophobicContact CE-CD2 3.87Å; M145-L411 WeakPolarHBondContact CE-O 3.46Å; P146-L411 HydrophobicContact CG-CD1 4.04Å; P146-L411 HydrophobicContact CG-CD2 4.06Å; F178-L411 HydrophobicContact CD1-CB 3.84Å; F178-L411 HydrophobicContact CD2-CB 4.4Å; F178-L411 HydrophobicContact CD2-CD1 4.49Å; F178-L411 HydrophobicContact CE1-CB 3.31Å; F178-L411 HydrophobicContact CE1-CD1 4.34Å; F178-L411 HydrophobicContact CE1-CG 4.45Å; F178-L411 HydrophobicContact CE2-CB 3.93Å; F178-L411 HydrophobicContact CE2-CD1 3.57Å; F178-L411 HydrophobicContact CE2-CG 4.34Å; F178-L411 HydrophobicContact CG-CB 4.37Å; F178-L411 HydrophobicContact CZ-CB 3.37Å; F178-L411 HydrophobicContact CZ-CD1 3.49Å; F178-L411 VanDerWaalsContact CZ-CD1 3.49Å; F178-L411 HydrophobicContact CZ-CG 4.06Å; A383-L411 HydrophobicContact CB-CD2 4.13Å; A383-L411 HydrophobicContact CB-CG 3.88Å; A383-L411 WeakPolarHBondContact O-CD2 3.31Å; V386-L411 HydrophobicContact CG1-CD2 3.88Å; V387-L411 HydrophobicContact CG2-CD2 3.57Å; I394-L411 HydrophobicContact CD1-CD1 4.35Å; I394-L411 HydrophobicContact CG2-CD1 3.98Å; K407-L411 PolarHBondContact O-N 2.84Å; Y408-L411 HydrophobicContact CD1-CD1 4.44Å; Y408-L411 WeakPolarHBondContact O-CB 3.39Å; Y408-L411 PolarHBondContact O-N 3.47Å; L411-R413 VanDerWaalsContact C-N 3.32Å; L411-R413 PolarHBondContact O-N 3.17Å; L411-I414 PolarHBondContact O-N 3.39Å; L411-E415 WeakPolarHBondContact O-CB 3.22Å; L411-E415 PolarHBondContact O-N 3.43Å
412L98.9Very high98.4Very high50 Ų5050.3 Ų50.326%0.26229%0.286SS..Hα-helixtrans-59.3-42.5171.6-70.7170.7000111.7F178 T179 M182 Y408 N409 Q410 E415 E416F178-L412 HydrophobicContact CD1-CD2 3.86Å; F178-L412 HydrophobicContact CD1-CG 4.19Å; F178-L412 HydrophobicContact CE1-CD2 4.08Å; F178-L412 HydrophobicContact CE1-CG 3.98Å; T179-L412 HydrophobicContact CG2-CD2 4.43Å; T179-L412 WeakPolarHBondContact OG1-CD2 3.38Å; M182-L412 HydrophobicContact CB-CD2 4.46Å; M182-L412 HydrophobicContact CG-CD2 4.1Å; M182-L412 HydrophobicContact CG-CG 4.35Å; Y408-L412 PolarHBondContact O-N 3.47Å; N409-L412 PolarHBondContact O-N 2.96Å; Q410-L412 PolarHBondContact O-N 3.01Å; L412-E415 PolarHBondContact O-N 3.02Å; L412-E416 PolarHBondContact O-N 3.02Å
413R98.9Very high98.4Very high130 Ų13050.6 Ų50.649%0.49128%0.276SS..Hα-helixtrans-66.5-40.8177-66.4177.1-155.4111.14.3112.4N409 Q410 L411 E416 E417N409-R413 WeakPolarHBondContact O-CG 3.28Å; N409-R413 PolarHBondContact O-N 3.47Å; N409-R413 VanDerWaalsContact O-N 3.15Å; Q410-R413 WeakPolarHBondContact O-CB 3.27Å; Q410-R413 PolarHBondContact O-N 2.93Å; Q410-R413 VanDerWaalsContact O-N 3.16Å; L411-R413 VanDerWaalsContact C-N 3.32Å; L411-R413 PolarHBondContact O-N 3.17Å; R413-E416 PolarHBondContact O-N 3.15Å; R413-E417 WeakPolarHBondContact O-CB 3.48Å; R413-E417 PolarHBondContact O-N 3.27Å
414I98.9Very high98.4Very high0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-64.7-43.2176.6-66.5166.2000110.2Y131 M145 V387 Q410 L411 E416 E417 L418Y131-I414 HydrophobicContact CD1-CD1 4.1Å; Y131-I414 HydrophobicContact CD1-CG1 3.84Å; Y131-I414 HydrophobicContact CD1-CG2 3.93Å; Y131-I414 HydrophobicContact CD2-CG2 4.25Å; Y131-I414 HydrophobicContact CE1-CG1 4.18Å; Y131-I414 HydrophobicContact CE1-CG2 3.99Å; Y131-I414 HydrophobicContact CE2-CG2 4.29Å; Y131-I414 HydrophobicContact CG-CD1 4.47Å; Y131-I414 HydrophobicContact CG-CG2 4.09Å; M145-I414 HydrophobicContact SD-CG2 3.97Å; V387-I414 HydrophobicContact CG1-CG2 4.02Å; V387-I414 HydrophobicContact CG2-CD1 4.34Å; V387-I414 HydrophobicContact CG2-CG2 4.18Å; Q410-I414 HydrophobicContact CG-CD1 4.04Å; Q410-I414 WeakPolarHBondContact O-CG1 3.25Å; Q410-I414 PolarHBondContact O-N 3.26Å; L411-I414 PolarHBondContact O-N 3.39Å; I414-E416 VanDerWaalsContact C-N 3.34Å; I414-E416 PolarHBondContact O-N 2.86Å; I414-E417 PolarHBondContact O-N 2.84Å; I414-L418 HydrophobicContact CG2-CD1 3.9Å; I414-L418 HydrophobicContact CG2-CG 4.31Å; I414-L418 WeakPolarHBondContact O-CB 3.42Å; I414-L418 VanDerWaalsContact O-CG 3.23Å; I414-L418 WeakPolarHBondContact O-CG 3.45Å; I414-L418 PolarHBondContact O-N 3.4Å
415E98.8Very high98.4Very high20 Ų2051.5 Ų51.59%0.09328%0.279CS..Hα-helixtrans-58.8-45.8174.5-177.2171.6-117.200111.6M145 S177 F178 T179 L411 L412 L418 G419 A422M145-E415 HydrophobicContact CE-CB 3.99Å; M145-E415 HydrophobicContact CG-CB 4.45Å; M145-E415 HydrophobicContact SD-CB 4.29Å; S177-E415 WeakPolarHBondContact CB-OE1 3.44Å; F178-E415 WeakPolarHBondContact CA-OE1 3.09Å; F178-E415 VanDerWaalsContact CB-OE1 3.31Å; F178-E415 WeakPolarHBondContact CB-OE1 3.29Å; F178-E415 PolarHBondContact N-OE1 3.37Å; T179-E415 VanDerWaalsContact CB-OE2 3.26Å; T179-E415 WeakPolarHBondContact CB-OE2 3.49Å; T179-E415 PolarHBondContact N-OE2 3.45Å; T179-E415 PolarHBondContact OG1-OE2 3.4Å; L411-E415 WeakPolarHBondContact O-CB 3.22Å; L411-E415 PolarHBondContact O-N 3.43Å; L412-E415 PolarHBondContact O-N 3.02Å; E415-L418 PolarHBondContact O-N 3.04Å; E415-G419 PolarHBondContact O-N 2.85Å; E415-A422 HydrophobicContact CG-CB 4.02Å
416E98.8Very high98.4Very high164 Ų16449.8 Ų49.877%0.76627%0.272SS*.Hα-helixtrans-59.8-45.5176.1-175.6-177.597.600111.8L412 R413 I414 L418 G419L412-E416 PolarHBondContact O-N 3.02Å; R413-E416 PolarHBondContact O-N 3.15Å; I414-E416 VanDerWaalsContact C-N 3.34Å; I414-E416 PolarHBondContact O-N 2.86Å; E416-L418 VanDerWaalsContact C-N 3.34Å; E416-L418 PolarHBondContact O-N 3.17Å; E416-G419 PolarHBondContact O-N 3.48Å
417E98.6Very high98.3Very high113 Ų11354.1 Ų54.153%0.52829%0.287SS..Hα-helixtrans-63.6-37.9179.2-170-172.1152.600112.3P129 Y131 R413 I414 G419P129-E417 WeakPolarHBondContact CG-OE1 3.45Å; Y131-E417 WeakPolarHBondContact CE1-OE2 3.19Å; Y131-E417 VanDerWaalsContact OH-CD 3.27Å; Y131-E417 PolarHBondContact OH-OE1 2.77Å; R413-E417 WeakPolarHBondContact O-CB 3.48Å; R413-E417 PolarHBondContact O-N 3.27Å; I414-E417 PolarHBondContact O-N 2.84Å; E417-G419 VanDerWaalsContact C-N 3.32Å
418L98.2Very high98.3Very high17 Ų1757.7 Ų57.79%0.08931%0.306CS..Hα-helixtrans-70.3-28.3175.7-71.5173.1000112.7Y131 V143 M145 I414 E415 E416 T420 A421 A422Y131-L418 HydrophobicContact CE2-CD2 3.92Å; Y131-L418 HydrophobicContact CE2-CG 4.41Å; V143-L418 HydrophobicContact CG2-CD1 3.85Å; V143-L418 HydrophobicContact CG2-CD2 3.81Å; M145-L418 HydrophobicContact CG-CD1 4.46Å; M145-L418 HydrophobicContact SD-CD1 3.87Å; I414-L418 HydrophobicContact CG2-CD1 3.9Å; I414-L418 HydrophobicContact CG2-CG 4.31Å; I414-L418 WeakPolarHBondContact O-CB 3.42Å; I414-L418 VanDerWaalsContact O-CG 3.23Å; I414-L418 WeakPolarHBondContact O-CG 3.45Å; I414-L418 PolarHBondContact O-N 3.4Å; E415-L418 PolarHBondContact O-N 3.04Å; E416-L418 VanDerWaalsContact C-N 3.34Å; E416-L418 PolarHBondContact O-N 3.17Å; L418-T420 PolarHBondContact O-N 3.16Å; L418-A421 WeakPolarHBondContact O-CB 3.35Å; L418-A421 PolarHBondContact O-N 3.36Å; L418-A422 HydrophobicContact CB-CB 3.83Å; L418-A422 HydrophobicContact CD1-CB 4.41Å
419G97.9Very high98.3Very high43 Ų4358.2 Ų58.244%0.44331%0.308SS..G310 helixtrans55.6-128.8179.300000112.5E415 E416 E417 A421 A422E415-G419 PolarHBondContact O-N 2.85Å; E416-G419 PolarHBondContact O-N 3.48Å; E417-G419 VanDerWaalsContact C-N 3.32Å; G419-A421 PolarHBondContact O-N 2.9Å; G419-A421 VanDerWaalsContact O-N 3.16Å; G419-A422 VanDerWaalsContact O-CB 3.29Å; G419-A422 WeakPolarHBondContact O-CB 3.21Å; G419-A422 PolarHBondContact O-N 2.89Å; G419-A422 VanDerWaalsContact O-N 3.07Å
420T96.1Very high98.3Very high159 Ų15958.1 Ų58.198%0.97530%0.303SS*.G310 helixtrans-67.5-12.3-180550000114.2L418 A422L418-T420 PolarHBondContact O-N 3.16Å; T420-A422 VanDerWaalsContact C-N 3.33Å
421A96.1Very high98.2Very high59 Ų5961.2 Ų61.249%0.48832%0.317SS..G310 helixtrans-83.4-9.5173.800000112.9L418 G419 K423L418-A421 WeakPolarHBondContact O-CB 3.35Å; L418-A421 PolarHBondContact O-N 3.36Å; G419-A421 PolarHBondContact O-N 2.9Å; G419-A421 VanDerWaalsContact O-N 3.16Å; A421-K423 PolarHBondContact O-N 3.4Å
422A97.5Very high98Very high29 Ų2962.4 Ų62.424%0.2433%0.325CS..  trans-66.4120.4177.700000111M145 E415 L418 G419 T420M145-A422 HydrophobicContact CG-CB 4.43Å; E415-A422 HydrophobicContact CG-CB 4.02Å; L418-A422 HydrophobicContact CB-CB 3.83Å; L418-A422 HydrophobicContact CD1-CB 4.41Å; G419-A422 VanDerWaalsContact O-CB 3.29Å; G419-A422 WeakPolarHBondContact O-CB 3.21Å; G419-A422 PolarHBondContact O-N 2.89Å; G419-A422 VanDerWaalsContact O-N 3.07Å; T420-A422 VanDerWaalsContact C-N 3.33Å
423K98.1Very high97.2Very high99 Ų9967.4 Ų67.443%0.4334%0.344SS..  trans-110.2127.3171.5-65.1177.9-170.3170.90109.1I144 M145 A421 V434I144-K423 HydrophobicContact CD1-CB 4.49Å; I144-K423 HydrophobicContact CG1-CB 4.08Å; I144-K423 WeakPolarHBondContact CG1-O 3.24Å; M145-K423 WeakPolarHBondContact CB-O 3.45Å; M145-K423 PolarHBondContact N-O 2.79Å; A421-K423 PolarHBondContact O-N 3.4Å; K423-V434 PolarHBondContact NZ-OXT 3.48Å
424Y98.5Very high96.2Very high33 Ų3365 Ų6513%0.12934%0.344CS..BIsolated β-bridgetrans-92.8132.1173.6179.1-115000110.6M145 P146 V147 P172 A175 F178 A181 G426M145-Y424 HydrophobicContact CB-CD2 4.39Å; P146-Y424 WeakPolarHBondContact O-CE2 3.2Å; V147-Y424 HydrophobicContact CG2-CE1 4.27Å; V147-Y424 HydrophobicContact CG2-CE2 4.12Å; P172-Y424 PolarHBondContact O-OH 3.25Å; A175-Y424 HydrophobicContact CB-CE1 3.78Å; A175-Y424 VanDerWaalsContact O-CD1 3.28Å; A175-Y424 WeakPolarHBondContact O-CD1 3.39Å; A175-Y424 VanDerWaalsContact O-CE1 3.29Å; A175-Y424 WeakPolarHBondContact O-CE1 3.42Å; F178-Y424 HydrophobicContact CB-CD2 4.27Å; A181-Y424 HydrophobicContact CB-CE2 4Å; A181-Y424 WeakPolarHBondContact CB-OH 3.41Å; Y424-G426 VanDerWaalsContact C-N 3.31Å; Y424-G426 PolarHBondContact O-N 3.24Å; Y424-G426 VanDerWaalsContact CE1-CA 3.47Å
425A98.6Very high96.1Very high3 Ų368.3 Ų68.33%0.02536%0.362CS..  trans-64-35.3-175.700000113.3I144 M145 V147 G392 K427 N428 P432I144-A425 HydrophobicContact CD1-CB 3.99Å; I144-A425 HydrophobicContact CG1-CB 4.46Å; M145-A425 PolarHBondContact O-N 3.39Å; V147-A425 HydrophobicContact CG2-CB 4.41Å; G392-A425 WeakPolarHBondContact O-CB 3.23Å; A425-K427 PolarHBondContact O-N 3Å; A425-N428 WeakPolarHBondContact O-CA 3.37Å; A425-N428 WeakPolarHBondContact O-CB 3.23Å; A425-N428 PolarHBondContact O-N 2.82Å; A425-P432 HydrophobicContact CB-CB 4.14Å
426G98.5Very high95.9Very high7 Ų770.8 Ų70.87%0.07238%0.376CS..G310 helixtrans51.1-132.1175.900000113.5V147 T173 Y424 N428 F429V147-G426 WeakPolarHBondContact CG2-O 3.32Å; T173-G426 CarbonylContact O-C 3.47Å; T173-G426 WeakPolarHBondContact O-CA 3.47Å; Y424-G426 VanDerWaalsContact C-N 3.31Å; Y424-G426 PolarHBondContact O-N 3.24Å; Y424-G426 VanDerWaalsContact CE1-CA 3.47Å; G426-N428 PolarHBondContact O-N 3.26Å; G426-F429 PolarHBondContact O-N 3.01Å; G426-F429 VanDerWaalsContact O-N 3.1Å; G426-F429 WeakPolarHBondContact O-CB 3.28Å
427K97.8Very high95.8Very high111 Ų11165.7 Ų65.748%0.48335%0.354SS..G310 helixtrans-60.6-16.2177.1-64.1-67.7-177.8-164.50113.9T173 G238 E241 A425T173-K427 PolarHBondContact O-N 2.93Å; T173-K427 VanDerWaalsContact O-N 3.07Å; T173-K427 WeakPolarHBondContact OG1-CD 3.46Å; T173-K427 WeakPolarHBondContact OG1-CE 3.43Å; T173-K427 PolarHBondContact OG1-NZ 3.08Å; G238-K427 PolarHBondContact O-NZ 3.09Å; E241-K427 IonicContact OE1-NZ 3.94Å; E241-K427 PolarHBondContact OE1-NZ 2.99Å; A425-K427 PolarHBondContact O-N 3Å
428N98.3Very high95.6Very high75 Ų7562.9 Ų62.940%0.40134%0.344SS..G310 helixtrans-93.216.3176.9-54.3-66.7000113.1A425 G426 R430 H431 P432A425-N428 WeakPolarHBondContact O-CA 3.37Å; A425-N428 WeakPolarHBondContact O-CB 3.23Å; A425-N428 PolarHBondContact O-N 2.82Å; G426-N428 PolarHBondContact O-N 3.26Å; N428-R430 PolarHBondContact O-N 3.12Å; N428-H431 CarbonylContact O-C 3.53Å; N428-H431 PolarHBondContact O-N 3.36Å; N428-P432 WeakPolarHBondContact O-CA 3.3Å
429F98.6Very high95.4Very high11 Ų1165.8 Ų65.85%0.04836%0.36CS..THydrogen-bonded Turntrans-49.7-29.2-175.275.3-86.2000115.9V147 L171 T173 V291 G392 Q393 G426V147-F429 HydrophobicContact CB-CB 4Å; V147-F429 HydrophobicContact CG2-CB 3.58Å; L171-F429 HydrophobicContact CD2-CE2 4.47Å; T173-F429 HydrophobicContact CG2-CD1 3.9Å; T173-F429 HydrophobicContact CG2-CE1 4.2Å; V291-F429 HydrophobicContact CB-CZ 4.31Å; V291-F429 HydrophobicContact CG2-CE1 4.27Å; V291-F429 HydrophobicContact CG2-CZ 3.99Å; G392-F429 CarbonylContact C-O 3.47Å; Q393-F429 HydrophobicContact CB-CB 4.37Å; Q393-F429 HydrophobicContact CB-CD2 4.07Å; Q393-F429 HydrophobicContact CG-CD2 4.25Å; Q393-F429 PolarHBondContact NE2-O 2.9Å; Q393-F429 VanDerWaalsContact OE1-CD2 3.28Å; G426-F429 PolarHBondContact O-N 3.01Å; G426-F429 VanDerWaalsContact O-N 3.1Å; G426-F429 WeakPolarHBondContact O-CB 3.28Å
430R98.4Very high95.3Very high62 Ų6267.3 Ų67.323%0.23435%0.354CS..THydrogen-bonded Turntrans-72.7-37.6177.6-59.7176.362.9-179.25.1112.9N313 I314 Q315 N339 G367 N428N313-R430 PolarHBondContact O-NH1 2.91Å; I314-R430 PolarHBondContact O-NH2 3.05Å; Q315-R430 HydrophobicContact CB-CG 4.49Å; N339-R430 PolarHBondContact ND2-NH2 2.85Å; G367-R430 WeakPolarHBondContact CA-O 3.43Å; N428-R430 PolarHBondContact O-N 3.12Å
431H97.6Very high95.2Very high101 Ų10160.7 Ų60.747%0.46831%0.31SS..SBendtrans-140.772.1-176.7-57.3-56.7000108.4G365 N428 K433G365-H431 PolarHBondContact O-CE1 2.63Å; N428-H431 CarbonylContact O-C 3.53Å; N428-H431 PolarHBondContact O-N 3.36Å; H431-K433 PolarHBondContact O-N 3.49Å
432P95.7Very high95.1Very high24 Ų2460.8 Ų60.816%0.15630%0.296CS..  trans-57139.7-175.420.8-32.9000111.4I144 C390 A425 N428 V434I144-P432 HydrophobicContact CD1-CB 3.33Å; I144-P432 HydrophobicContact CG1-CB 4.38Å; I144-P432 HydrophobicContact CG2-CB 3.84Å; I144-P432 HydrophobicContact CG2-CG 4.12Å; C390-P432 WeakPolarHBondContact O-CG 3.39Å; A425-P432 HydrophobicContact CB-CB 4.14Å; N428-P432 WeakPolarHBondContact O-CA 3.3Å; P432-V434 PolarHBondContact O-N 3.14Å; P432-V434 VanDerWaalsContact O-N 3.15Å
433K82.3Confident94.9Very high155 Ų15563.5 Ų63.567%0.67430%0.301SS*.  trans-8488.1172-61-175.2-176.9-177.50108H431H431-K433 PolarHBondContact O-N 3.49Å
434V77Confident94.7Very high81 Ų8160.3 Ų60.349%0.49129%0.289SS..  trans-58.30173.9-71.90000111.5I144 C390 K423 P432I144-V434 HydrophobicContact CB-CG1 4.41Å; I144-V434 HydrophobicContact CG2-CG1 4.49Å; C390-V434 HydrophobicContact CB-CG1 3.58Å; K423-V434 PolarHBondContact NZ-OXT 3.48Å; P432-V434 PolarHBondContact O-N 3.14Å; P432-V434 VanDerWaalsContact O-N 3.15Å

Retrieved 434 of 434 residues in 293.6 ms (Link to these results)

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