A0A077ZMJ7_TRITR Loading...

C-1-tetrahydrofolate synthase, cytoplasmic

AlphaFold DB , UniProt , Accession A0A077ZMJ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 744 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
1M84.8Confident83Confident63 Ų6380.4 Ų80.431%0.3146%0.459SS..  0-70.10-151.356.687.200112.8S3 L4 N5 I13 V15 L30 T33 I34M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.26Å; M1-S3 VanDerWaalsContact O-N 3.15Å; M1-L4 WeakPolarHBondContact O-CA 3.2Å; M1-L4 WeakPolarHBondContact O-CB 3.13Å; M1-L4 PolarHBondContact O-N 2.9Å; M1-N5 PolarHBondContact O-N 3.26Å; M1-N5 VanDerWaalsContact O-N 3.12Å; M1-I13 HydrophobicContact CE-CG2 4.11Å; M1-I13 HydrophobicContact SD-CD1 4.3Å; M1-I13 HydrophobicContact SD-CG2 3.64Å; M1-V15 HydrophobicContact CE-CG2 3.62Å; M1-L30 HydrophobicContact CE-CD1 3.58Å; M1-L30 HydrophobicContact CE-CG 4.01Å; M1-T33 HydrophobicContact CB-CG2 3.86Å; M1-T33 HydrophobicContact CG-CG2 3.68Å; M1-I34 HydrophobicContact CE-CD1 4.37Å; M1-I34 HydrophobicContact CE-CG1 3.9Å; M1-I34 HydrophobicContact CG-CG1 4.36Å; M1-I34 HydrophobicContact SD-CG1 3.85Å
2K83.2Confident83.7Confident163 Ų16375.8 Ų75.871%0.70944%0.442SS*.Hα-helixtrans-51.4-42.1-178-66.8-174.7178.7-177.80114.8L4 N5 C6 T33K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.41Å; K2-N5 PolarHBondContact O-N 3.31Å; K2-C6 PolarHBondContact O-N 3.08Å; K2-C6 VanDerWaalsContact O-N 3.11Å; K2-C6 PolarHBondContact O-SG 3.19Å; K2-C6 VanDerWaalsContact O-SG 3.38Å; K2-T33 HydrophobicContact CG-CG2 4.18Å
3S85Confident84.5Confident98 Ų9870.7 Ų70.769%0.68541%0.412SS*.Hα-helixtrans-60-36175.1-171.30000113.6M1 C6 D7M1-S3 VanDerWaalsContact C-N 3.3Å; M1-S3 PolarHBondContact O-N 3.26Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-C6 PolarHBondContact O-N 3.43Å; S3-D7 PolarHBondContact O-N 3.32Å
4L88.9Confident85.2Confident76 Ų7672.1 Ų72.140%0.39842%0.415SS..Hα-helixtrans-74.7-35.2178.4-63.6172.5000111.2M1 K2 C6 D7 V10 I13 K38M1-L4 WeakPolarHBondContact O-CA 3.2Å; M1-L4 WeakPolarHBondContact O-CB 3.13Å; M1-L4 PolarHBondContact O-N 2.9Å; K2-L4 VanDerWaalsContact C-N 3.3Å; K2-L4 PolarHBondContact O-N 3.41Å; L4-C6 VanDerWaalsContact C-N 3.27Å; L4-C6 PolarHBondContact O-N 3.19Å; L4-D7 PolarHBondContact O-N 3.18Å; L4-V10 HydrophobicContact CD2-CG2 4.25Å; L4-I13 HydrophobicContact CB-CD1 3.7Å; L4-I13 HydrophobicContact CB-CG1 4.41Å; L4-K38 PolarHBondContact O-NZ 3.13Å; L4-K38 VanDerWaalsContact O-NZ 3.1Å
5N85Confident85.6Confident26 Ų2668 Ų6814%0.13939%0.392CS..Hα-helixtrans-60.7-40171.4-68.3-15.2000111M1 K2 D7 I13 T33 E35 K38M1-N5 PolarHBondContact O-N 3.26Å; M1-N5 VanDerWaalsContact O-N 3.12Å; K2-N5 PolarHBondContact O-N 3.31Å; N5-D7 VanDerWaalsContact C-N 3.31Å; N5-D7 PolarHBondContact O-N 3.47Å; N5-I13 VanDerWaalsContact OD1-CD1 3.28Å; N5-I13 WeakPolarHBondContact OD1-CD1 3.17Å; N5-T33 PolarHBondContact ND2-O 3.33Å; N5-E35 HydrophobicContact CB-CB 4.37Å; N5-E35 PolarHBondContact ND2-N 2.81Å; N5-E35 PolarHBondContact OD1-N 3.48Å; N5-K38 VanDerWaalsContact O-CE 3.26Å; N5-K38 WeakPolarHBondContact O-CE 3.27Å; N5-K38 PolarHBondContact O-NZ 2.57Å
6C75.9Confident85.7Confident109 Ų10973.9 Ų73.974%0.73642%0.415SS*.THydrogen-bonded Turntrans-78.6-10.2-179.7-61.80000114.7K2 S3 L4K2-C6 PolarHBondContact O-N 3.08Å; K2-C6 VanDerWaalsContact O-N 3.11Å; K2-C6 PolarHBondContact O-SG 3.19Å; K2-C6 VanDerWaalsContact O-SG 3.38Å; S3-C6 PolarHBondContact O-N 3.43Å; L4-C6 VanDerWaalsContact C-N 3.27Å; L4-C6 PolarHBondContact O-N 3.19Å
7D79.8Confident85.6Confident63 Ų6372.8 Ų72.834%0.33741%0.408SS..  trans-86.9112.3-179.5-170.1-20000110.3S3 L4 N5 S9 V10 K38S3-D7 PolarHBondContact O-N 3.32Å; L4-D7 PolarHBondContact O-N 3.18Å; N5-D7 VanDerWaalsContact C-N 3.31Å; N5-D7 PolarHBondContact O-N 3.47Å; D7-S9 VanDerWaalsContact CG-OG 3.25Å; D7-S9 PolarHBondContact O-N 3.44Å; D7-S9 WeakPolarHBondContact OD1-CB 3.31Å; D7-S9 PolarHBondContact OD1-N 3.02Å; D7-S9 PolarHBondContact OD1-OG 3.34Å; D7-S9 PolarHBondContact OD2-OG 2.86Å; D7-V10 HydrophobicContact CB-CB 4.29Å; D7-V10 HydrophobicContact CB-CG2 3.93Å; D7-V10 PolarHBondContact O-N 2.82Å; D7-V10 VanDerWaalsContact O-N 3.09Å; D7-K38 PolarHBondContact O-NZ 2.76Å
8T74.9Confident85.3Confident106 Ų10675.7 Ų75.765%0.6543%0.43SS*.THydrogen-bonded Turntrans-69.7-14.2179.456.50000112.8V10T8-V10 VanDerWaalsContact C-N 3.26Å
9S80.8Confident85.2Confident86 Ų8674.2 Ų74.260%0.60142%0.421SS*.THydrogen-bonded Turntrans-79.1-11.1171.473.10000113.1D7D7-S9 VanDerWaalsContact CG-OG 3.25Å; D7-S9 PolarHBondContact O-N 3.44Å; D7-S9 WeakPolarHBondContact OD1-CB 3.31Å; D7-S9 PolarHBondContact OD1-N 3.02Å; D7-S9 PolarHBondContact OD1-OG 3.34Å; D7-S9 PolarHBondContact OD2-OG 2.86Å
10V86.5Confident85.2Confident30 Ų3078.9 Ų78.918%0.18244%0.444CS..  trans-103.8108.4-179.6179.30000110L4 D7 T8 I13 K38L4-V10 HydrophobicContact CD2-CG2 4.25Å; D7-V10 HydrophobicContact CB-CB 4.29Å; D7-V10 HydrophobicContact CB-CG2 3.93Å; D7-V10 PolarHBondContact O-N 2.82Å; D7-V10 VanDerWaalsContact O-N 3.09Å; T8-V10 VanDerWaalsContact C-N 3.26Å; V10-I13 HydrophobicContact CG1-CD1 4.46Å; V10-I13 HydrophobicContact CG1-CG1 3.92Å; V10-K38 WeakPolarHBondContact O-CD 3.36Å; V10-K38 VanDerWaalsContact O-CE 3.22Å; V10-K38 WeakPolarHBondContact O-CE 3.32Å; V10-K38 PolarHBondContact O-NZ 2.98Å
11H87.9Confident85.1Confident64 Ų6478.5 Ų78.530%0.29644%0.444SS..  trans-96.1-20.8-177.9-54100.3000113.9A202 A203H11-A202 VanDerWaalsContact O-CB 3.24Å; H11-A202 WeakPolarHBondContact O-CB 3.23Å; H11-A203 HydrophobicContact CB-CB 3.67Å; H11-A203 VanDerWaalsContact CG-CB 3.48Å
12G91.7Very high85.2Confident25 Ų2582.4 Ų82.426%0.25848%0.476SS..  trans-143.1139-177.100000112.1V40G12-V40 VanDerWaalsContact CA-CG1 3.47Å
13I94.7Very high85.3Confident10 Ų1084.5 Ų84.55%0.05148%0.479CS..BIsolated β-bridgetrans-128.4125.4178.5-59.3173.3000108.2M1 L4 N5 V10 I34 K38M1-I13 HydrophobicContact CE-CG2 4.11Å; M1-I13 HydrophobicContact SD-CD1 4.3Å; M1-I13 HydrophobicContact SD-CG2 3.64Å; L4-I13 HydrophobicContact CB-CD1 3.7Å; L4-I13 HydrophobicContact CB-CG1 4.41Å; N5-I13 VanDerWaalsContact OD1-CD1 3.28Å; N5-I13 WeakPolarHBondContact OD1-CD1 3.17Å; V10-I13 HydrophobicContact CG1-CD1 4.46Å; V10-I13 HydrophobicContact CG1-CG1 3.92Å; I13-I34 HydrophobicContact CB-CG2 3.98Å; I13-I34 HydrophobicContact CD1-CG2 4.35Å; I13-I34 HydrophobicContact CG2-CD1 4.13Å; I13-I34 HydrophobicContact CG2-CG1 4.14Å; I13-I34 HydrophobicContact CG2-CG2 4.37Å; I13-K38 HydrophobicContact CD1-CB 4.28Å; I13-K38 HydrophobicContact CD1-CD 4.19Å; I13-K38 HydrophobicContact CG1-CB 4.29Å; I13-K38 PolarHBondContact N-O 2.89Å
14I93.1Very high85.3Confident90 Ų9086.4 Ų86.446%0.46249%0.489SS..  trans-111.4140.7171.9-172.8170.1000109.8L195I14-L195 HydrophobicContact CD1-CD1 3.99Å; I14-L195 HydrophobicContact CD1-CD2 3.74Å
15V91.2Very high85.2Confident11 Ų1186 Ų867%0.06749%0.489CS..  trans-107.4109.9167173.90000107.2M1 L17 L19 L30 I31 I34M1-V15 HydrophobicContact CE-CG2 3.62Å; V15-L17 HydrophobicContact CG1-CD2 3.95Å; V15-L17 PolarHBondContact O-N 3.08Å; V15-L19 HydrophobicContact CG1-CD2 3.76Å; V15-L30 HydrophobicContact CG1-CD2 3.79Å; V15-L30 HydrophobicContact CG1-CG 4.4Å; V15-L30 HydrophobicContact CG2-CD2 4.21Å; V15-L30 HydrophobicContact CG2-CG 4.11Å; V15-I31 HydrophobicContact CB-CG1 4.45Å; V15-I31 HydrophobicContact CG1-CG1 4.47Å; V15-I34 HydrophobicContact CG2-CD1 3.73Å
16Q87.7Confident85.5Confident162 Ų16289.5 Ų89.576%0.75751%0.508SS*.  trans-70.2120.4-178.9-170.5169.6-3.900110.4
17L84.6Confident86.2Confident56 Ų5686.8 Ų86.829%0.29349%0.488SS..SBendtrans-112.6144-178.7-60.4178.4000111.4V15 L19 T27 I31 L43 I92V15-L17 HydrophobicContact CG1-CD2 3.95Å; V15-L17 PolarHBondContact O-N 3.08Å; L17-L19 HydrophobicContact CD2-CD2 4.4Å; L17-L19 HydrophobicContact CD2-CG 4.15Å; L17-T27 HydrophobicContact CD2-CG2 3.41Å; L17-T27 VanDerWaalsContact CD2-CG2 3.41Å; L17-I31 HydrophobicContact CD1-CD1 4.02Å; L17-L43 HydrophobicContact CD1-CD1 4.03Å; L17-I92 HydrophobicContact CD1-CD1 4.06Å
18P79.4Confident86.6Confident125 Ų12586.9 Ų86.981%0.81249%0.487SS*.SBendcis-67.2151.8-7.930.7-35.3000111.9D20P18-D20 PolarHBondContact O-N 2.87Å
19L84.4Confident87.5Confident47 Ų4787.1 Ų87.125%0.24648%0.483CS..  trans-67.8123.4178.1-66.4174.6000110.2V15 L17 V21 V25 T27 L30V15-L19 HydrophobicContact CG1-CD2 3.76Å; L17-L19 HydrophobicContact CD2-CD2 4.4Å; L17-L19 HydrophobicContact CD2-CG 4.15Å; L19-V21 HydrophobicContact CB-CG1 4.24Å; L19-V21 HydrophobicContact CB-CG2 3.92Å; L19-V21 PolarHBondContact O-N 2.88Å; L19-V25 HydrophobicContact CD1-CB 3.98Å; L19-V25 HydrophobicContact CD1-CG1 3.97Å; L19-T27 HydrophobicContact CD1-CG2 4.2Å; L19-T27 WeakPolarHBondContact CD1-OG1 3.17Å; L19-L30 HydrophobicContact CD1-CD2 4.19Å; L19-L30 HydrophobicContact CD2-CD2 4.16Å
20D85.1Confident88Confident167 Ų16785.2 Ų85.289%0.89347%0.466SS*.  trans-85.280.5171.7-172.615.3000110.1P18P18-D20 PolarHBondContact O-N 2.87Å
21V83.5Confident88.3Confident72 Ų7284.4 Ų84.444%0.43646%0.461SS..  trans-129.2132.4-174.3-69.10000112L19 R23 V25L19-V21 HydrophobicContact CB-CG1 4.24Å; L19-V21 HydrophobicContact CB-CG2 3.92Å; L19-V21 PolarHBondContact O-N 2.88Å; V21-R23 WeakPolarHBondContact CB-O 3.22Å; V21-R23 WeakPolarHBondContact CG2-O 3.19Å; V21-R23 PolarHBondContact O-N 2.83Å; V21-V25 HydrophobicContact CB-CG2 4.33Å; V21-V25 HydrophobicContact CG1-CG2 4.21Å; V21-V25 HydrophobicContact CG2-CB 4.43Å; V21-V25 HydrophobicContact CG2-CG2 4.08Å
22C85.6Confident88.6Confident145 Ų14583.5 Ų83.598%0.9846%0.458SS*.SBendtrans-71.6-13.4175.1-63.10000113.5
23R85.8Confident88.7Confident206 Ų20684.2 Ų84.278%0.77746%0.457SS*.SBendtrans-123.8142178.5-67-176.3-177.6176.51.5109.3V21 V25V21-R23 WeakPolarHBondContact CB-O 3.22Å; V21-R23 WeakPolarHBondContact CG2-O 3.19Å; V21-R23 PolarHBondContact O-N 2.83Å; R23-V25 PolarHBondContact O-N 2.88Å
24P85Confident88.7Confident138 Ų13884 Ų8490%0.89646%0.457SS*.  trans-55.9125.7174.6-2332.8000111
25V87.6Confident88.6Confident67 Ų6784 Ų8441%0.40646%0.455SS..  trans-115.7135.6171.9175.50000107.4L19 V21 R23 T27 L30L19-V25 HydrophobicContact CD1-CB 3.98Å; L19-V25 HydrophobicContact CD1-CG1 3.97Å; V21-V25 HydrophobicContact CB-CG2 4.33Å; V21-V25 HydrophobicContact CG1-CG2 4.21Å; V21-V25 HydrophobicContact CG2-CB 4.43Å; V21-V25 HydrophobicContact CG2-CG2 4.08Å; R23-V25 PolarHBondContact O-N 2.88Å; V25-T27 PolarHBondContact O-N 2.88Å; V25-L30 HydrophobicContact CG1-CD2 4.38Å
26D90.5Very high88.5Confident101 Ų10185.4 Ų85.454%0.5446%0.464SS..  trans-71.395.3170.9-174.6-17.9000109.1E28 L29 L30D26-E28 PolarHBondContact O-N 2.97Å; D26-E28 WeakPolarHBondContact OD1-CB 3.44Å; D26-E28 PolarHBondContact OD1-N 3.41Å; D26-L29 HydrophobicContact CB-CB 3.86Å; D26-L29 VanDerWaalsContact CG-CB 3.47Å; D26-L29 PolarHBondContact O-N 3.11Å; D26-L29 PolarHBondContact OD1-N 3.29Å; D26-L30 WeakPolarHBondContact O-CB 3.32Å; D26-L30 PolarHBondContact O-N 2.94Å
27T89.7Confident88.5Confident51 Ų5180.3 Ų80.331%0.31345%0.449SS..Hα-helixtrans-59.1-36.7-179.9-51.30000112L17 L19 V25 L30 I31L17-T27 HydrophobicContact CD2-CG2 3.41Å; L17-T27 VanDerWaalsContact CD2-CG2 3.41Å; L19-T27 HydrophobicContact CD1-CG2 4.2Å; L19-T27 WeakPolarHBondContact CD1-OG1 3.17Å; V25-T27 PolarHBondContact O-N 2.88Å; T27-L30 PolarHBondContact O-N 3.24Å; T27-I31 HydrophobicContact CG2-CD1 3.89Å; T27-I31 HydrophobicContact CG2-CG1 4.48Å; T27-I31 VanDerWaalsContact O-CG1 3.3Å; T27-I31 WeakPolarHBondContact O-CG1 3.18Å; T27-I31 PolarHBondContact O-N 3.29Å
28E90.1Very high88.9Confident65 Ų6578.6 Ų78.630%0.30444%0.44SS..Hα-helixtrans-70.5-43.4-178.3-169.368.8-144.900110.2D26 L30 N32 R91D26-E28 PolarHBondContact O-N 2.97Å; D26-E28 WeakPolarHBondContact OD1-CB 3.44Å; D26-E28 PolarHBondContact OD1-N 3.41Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.36Å; E28-N32 WeakPolarHBondContact O-CB 3.48Å; E28-N32 PolarHBondContact O-N 2.78Å; E28-N32 PolarHBondContact O-ND2 3.5Å; E28-N32 PolarHBondContact OE1-ND2 2.95Å; E28-R91 IonicContact OE2-NH1 3.63Å; E28-R91 PolarHBondContact OE2-NH1 3.23Å
29L91.9Very high89.5Confident111 Ų11172.8 Ų72.858%0.58140%0.401SS*.Hα-helixtrans-61.4-41.2173.1-179.762.6000111.6D26 T33D26-L29 HydrophobicContact CB-CB 3.86Å; D26-L29 VanDerWaalsContact CG-CB 3.47Å; D26-L29 PolarHBondContact O-N 3.11Å; D26-L29 PolarHBondContact OD1-N 3.29Å; L29-T33 WeakPolarHBondContact O-CB 3.49Å; L29-T33 PolarHBondContact O-N 3.3Å; L29-T33 PolarHBondContact O-OG1 2.81Å
30L92Very high90Very high47 Ų4770.8 Ų70.825%0.24639%0.391CS..Hα-helixtrans-63.1-49.2179.6-176.663.6000111.8M1 V15 L19 V25 D26 T27 E28 T33M1-L30 HydrophobicContact CE-CD1 3.58Å; M1-L30 HydrophobicContact CE-CG 4.01Å; V15-L30 HydrophobicContact CG1-CD2 3.79Å; V15-L30 HydrophobicContact CG1-CG 4.4Å; V15-L30 HydrophobicContact CG2-CD2 4.21Å; V15-L30 HydrophobicContact CG2-CG 4.11Å; L19-L30 HydrophobicContact CD1-CD2 4.19Å; L19-L30 HydrophobicContact CD2-CD2 4.16Å; V25-L30 HydrophobicContact CG1-CD2 4.38Å; D26-L30 WeakPolarHBondContact O-CB 3.32Å; D26-L30 PolarHBondContact O-N 2.94Å; T27-L30 PolarHBondContact O-N 3.24Å; E28-L30 VanDerWaalsContact C-N 3.32Å; E28-L30 PolarHBondContact O-N 3.36Å; L30-T33 WeakPolarHBondContact O-CB 3.47Å; L30-T33 PolarHBondContact O-N 3.47Å
31I93.1Very high90.4Very high13 Ų1364 Ų647%0.06736%0.355CS..Hα-helixtrans-61-48.8177.7-69.1167.6000110.1V15 L17 T27 T33 I34 L43 T44V15-I31 HydrophobicContact CB-CG1 4.45Å; V15-I31 HydrophobicContact CG1-CG1 4.47Å; L17-I31 HydrophobicContact CD1-CD1 4.02Å; T27-I31 HydrophobicContact CG2-CD1 3.89Å; T27-I31 HydrophobicContact CG2-CG1 4.48Å; T27-I31 VanDerWaalsContact O-CG1 3.3Å; T27-I31 WeakPolarHBondContact O-CG1 3.18Å; T27-I31 PolarHBondContact O-N 3.29Å; I31-T33 PolarHBondContact O-N 2.73Å; I31-T33 VanDerWaalsContact O-N 3.15Å; I31-I34 WeakPolarHBondContact O-CB 3.36Å; I31-I34 WeakPolarHBondContact O-CG1 3.34Å; I31-I34 PolarHBondContact O-N 3.31Å; I31-L43 HydrophobicContact CD1-CD1 4.48Å; I31-L43 HydrophobicContact CG2-CB 3.74Å; I31-L43 WeakPolarHBondContact CG2-O 3.31Å; I31-T44 HydrophobicContact CG2-CG2 4.46Å; I31-T44 WeakPolarHBondContact O-CG2 3.47Å
32N93.7Very high90.9Very high44 Ų4460.6 Ų60.624%0.23534%0.335CS..THydrogen-bonded Turntrans-74.1-2.1-179.1-70-71.2000114.4E28 M45E28-N32 WeakPolarHBondContact O-CB 3.48Å; E28-N32 PolarHBondContact O-N 2.78Å; E28-N32 PolarHBondContact O-ND2 3.5Å; E28-N32 PolarHBondContact OE1-ND2 2.95Å; N32-M45 HydrophobicContact CB-CE 4.06Å; N32-M45 VanDerWaalsContact OD1-CB 3.27Å; N32-M45 WeakPolarHBondContact OD1-CB 3.24Å; N32-M45 WeakPolarHBondContact OD1-CE 3.47Å; N32-M45 VanDerWaalsContact OD1-CG 3.23Å; N32-M45 WeakPolarHBondContact OD1-CG 3.27Å; N32-M45 PolarHBondContact OD1-N 3.17Å
33T94.1Very high91.3Very high40 Ų4055 Ų5525%0.24530%0.295CS..THydrogen-bonded Turntrans-83.5-19.4168.5-59.70000111.8M1 K2 N5 L29 L30 I31M1-T33 HydrophobicContact CB-CG2 3.86Å; M1-T33 HydrophobicContact CG-CG2 3.68Å; K2-T33 HydrophobicContact CG-CG2 4.18Å; N5-T33 PolarHBondContact ND2-O 3.33Å; L29-T33 WeakPolarHBondContact O-CB 3.49Å; L29-T33 PolarHBondContact O-N 3.3Å; L29-T33 PolarHBondContact O-OG1 2.81Å; L30-T33 WeakPolarHBondContact O-CB 3.47Å; L30-T33 PolarHBondContact O-N 3.47Å; I31-T33 PolarHBondContact O-N 2.73Å; I31-T33 VanDerWaalsContact O-N 3.15Å
34I94.4Very high91.7Very high6 Ų645.4 Ų45.43%0.03126%0.259CS..SBendtrans-66.8133.6175.7-54.2170.6000108.4M1 I13 V15 I31 K38 D39 T44M1-I34 HydrophobicContact CE-CD1 4.37Å; M1-I34 HydrophobicContact CE-CG1 3.9Å; M1-I34 HydrophobicContact CG-CG1 4.36Å; M1-I34 HydrophobicContact SD-CG1 3.85Å; I13-I34 HydrophobicContact CB-CG2 3.98Å; I13-I34 HydrophobicContact CD1-CG2 4.35Å; I13-I34 HydrophobicContact CG2-CD1 4.13Å; I13-I34 HydrophobicContact CG2-CG1 4.14Å; I13-I34 HydrophobicContact CG2-CG2 4.37Å; V15-I34 HydrophobicContact CG2-CD1 3.73Å; I31-I34 WeakPolarHBondContact O-CB 3.36Å; I31-I34 WeakPolarHBondContact O-CG1 3.34Å; I31-I34 PolarHBondContact O-N 3.31Å; I34-K38 HydrophobicContact CG2-CB 4.34Å; I34-D39 HydrophobicContact CG2-CB 3.94Å; I34-T44 HydrophobicContact CB-CG2 4.25Å
35E90.3Very high92.2Very high91 Ų9144.6 Ų44.643%0.42525%0.245SC..  trans-62.2129.5172.1-177.4167.4-155.600109.6N5 A37 K38 D39N5-E35 HydrophobicContact CB-CB 4.37Å; N5-E35 PolarHBondContact ND2-N 2.81Å; N5-E35 PolarHBondContact OD1-N 3.48Å; E35-A37 PolarHBondContact O-N 2.82Å; E35-K38 HydrophobicContact CB-CG 4.47Å; E35-K38 WeakPolarHBondContact O-CA 3.47Å; E35-K38 PolarHBondContact O-N 3.4Å; E35-D39 PolarHBondContact O-N 2.97Å; E35-D39 VanDerWaalsContact O-N 3.16Å
36P90.1Very high92.4Very high40 Ų4045.4 Ų45.426%0.2625%0.246SC..THydrogen-bonded Turntrans-55.9-25.9-172-29.836000115.6L46 N47P36-L46 HydrophobicContact CB-CB 4.36Å; P36-L46 HydrophobicContact CB-CD2 3.74Å; P36-L46 HydrophobicContact CB-CG 4.49Å; P36-L46 HydrophobicContact CG-CB 4.1Å; P36-L46 HydrophobicContact CG-CD2 3.56Å; P36-L46 HydrophobicContact CG-CG 4.43Å; P36-N47 PolarHBondContact O-ND2 2.96Å
37A87.8Confident92.6Very high54 Ų5440.6 Ų40.645%0.44622%0.22SC..THydrogen-bonded Turntrans-74-26.7174.900000113.4E35 A202E35-A37 PolarHBondContact O-N 2.82Å; A37-A202 WeakPolarHBondContact O-CB 3.22Å
38K91.9Very high92.8Very high21 Ų2140.2 Ų40.29%0.09122%0.223CC..THydrogen-bonded Turntrans-95.3-4.4177-57.8-168-174.6-159.30113.1L4 N5 D7 V10 I13 I34 E35 V40L4-K38 PolarHBondContact O-NZ 3.13Å; L4-K38 VanDerWaalsContact O-NZ 3.1Å; N5-K38 VanDerWaalsContact O-CE 3.26Å; N5-K38 WeakPolarHBondContact O-CE 3.27Å; N5-K38 PolarHBondContact O-NZ 2.57Å; D7-K38 PolarHBondContact O-NZ 2.76Å; V10-K38 WeakPolarHBondContact O-CD 3.36Å; V10-K38 VanDerWaalsContact O-CE 3.22Å; V10-K38 WeakPolarHBondContact O-CE 3.32Å; V10-K38 PolarHBondContact O-NZ 2.98Å; I13-K38 HydrophobicContact CD1-CB 4.28Å; I13-K38 HydrophobicContact CD1-CD 4.19Å; I13-K38 HydrophobicContact CG1-CB 4.29Å; I13-K38 PolarHBondContact N-O 2.89Å; I34-K38 HydrophobicContact CG2-CB 4.34Å; E35-K38 HydrophobicContact CB-CG 4.47Å; E35-K38 WeakPolarHBondContact O-CA 3.47Å; E35-K38 PolarHBondContact O-N 3.4Å; K38-V40 PolarHBondContact O-N 3.01Å
39D93.7Very high93Very high2 Ų238.6 Ų38.61%0.01122%0.223CC..BIsolated β-bridgetrans-76.272.3176.5171.633.3000110.7I34 E35 D41 G42 L43 T44 N47 V60I34-D39 HydrophobicContact CG2-CB 3.94Å; E35-D39 PolarHBondContact O-N 2.97Å; E35-D39 VanDerWaalsContact O-N 3.16Å; D39-D41 PolarHBondContact O-N 2.81Å; D39-D41 VanDerWaalsContact O-N 3.14Å; D39-G42 PolarHBondContact O-N 3.12Å; D39-G42 PolarHBondContact OD1-N 2.96Å; D39-G42 VanDerWaalsContact OD1-N 3.13Å; D39-G42 VanDerWaalsContact OD2-C 3.26Å; D39-G42 WeakPolarHBondContact OD2-CA 3.41Å; D39-L43 PolarHBondContact OD1-N 3.31Å; D39-L43 PolarHBondContact OD2-N 2.99Å; D39-T44 HydrophobicContact CB-CG2 3.72Å; D39-T44 VanDerWaalsContact OD2-CB 3.27Å; D39-T44 WeakPolarHBondContact OD2-CB 3.31Å; D39-T44 VanDerWaalsContact OD2-CG2 3.25Å; D39-T44 WeakPolarHBondContact OD2-CG2 3.39Å; D39-T44 PolarHBondContact OD2-N 3.25Å; D39-T44 PolarHBondContact OD2-OG1 3.49Å; D39-N47 PolarHBondContact OD2-ND2 2.82Å; D39-V60 VanDerWaalsContact O-CG1 3.27Å; D39-V60 WeakPolarHBondContact O-CG1 3.47Å
40V94.6Very high93.1Very high5 Ų536.8 Ų36.83%0.0321%0.209CC..THydrogen-bonded Turntrans-65.8-13.9-176.6-68.40000113.5G12 K38 C63 L195 N198 A202G12-V40 VanDerWaalsContact CA-CG1 3.47Å; K38-V40 PolarHBondContact O-N 3.01Å; V40-C63 PolarHBondContact O-SG 2.91Å; V40-L195 HydrophobicContact CB-CD1 4.06Å; V40-L195 HydrophobicContact CG2-CD1 3.54Å; V40-N198 HydrophobicContact CB-CB 4.09Å; V40-N198 HydrophobicContact CG1-CB 4.45Å; V40-N198 VanDerWaalsContact O-CB 3.26Å; V40-N198 WeakPolarHBondContact O-CB 3.44Å; V40-N198 PolarHBondContact O-ND2 3.38Å; V40-A202 HydrophobicContact CG1-CB 4.06Å
41D93.9Very high93.3Very high25 Ų2534.7 Ų34.713%0.13420%0.198CC..THydrogen-bonded Turntrans-93.6-8.3175.6-152.619.8000113.1D39 L43 P62 C63D39-D41 PolarHBondContact O-N 2.81Å; D39-D41 VanDerWaalsContact O-N 3.14Å; D41-L43 VanDerWaalsContact C-N 3.34Å; D41-L43 HydrophobicContact CB-CD1 4.28Å; D41-L43 HydrophobicContact CB-CG 4.06Å; D41-L43 PolarHBondContact O-N 2.93Å; D41-L43 VanDerWaalsContact OD2-CD1 3.29Å; D41-L43 WeakPolarHBondContact OD2-CD1 3.39Å; D41-P62 VanDerWaalsContact O-CA 3.3Å; D41-P62 WeakPolarHBondContact O-CA 3.28Å; D41-C63 PolarHBondContact OD1-SG 3.26Å
42G93.5Very high93.3Very high1 Ų136.3 Ų36.31%0.0121%0.213CC..  trans68.924.6176.300000114.8D39 V60D39-G42 PolarHBondContact O-N 3.12Å; D39-G42 PolarHBondContact OD1-N 2.96Å; D39-G42 VanDerWaalsContact OD1-N 3.13Å; D39-G42 VanDerWaalsContact OD2-C 3.26Å; D39-G42 WeakPolarHBondContact OD2-CA 3.41Å; G42-V60 WeakPolarHBondContact CA-O 3.43Å
43L93.5Very high93.4Very high28 Ų2844.2 Ų44.215%0.14724%0.239CC..  trans-94-13.7-170.5-62.8-175.6000114.8L17 I31 D39 D41L17-L43 HydrophobicContact CD1-CD1 4.03Å; I31-L43 HydrophobicContact CD1-CD1 4.48Å; I31-L43 HydrophobicContact CG2-CB 3.74Å; I31-L43 WeakPolarHBondContact CG2-O 3.31Å; D39-L43 PolarHBondContact OD1-N 3.31Å; D39-L43 PolarHBondContact OD2-N 2.99Å; D41-L43 VanDerWaalsContact C-N 3.34Å; D41-L43 HydrophobicContact CB-CD1 4.28Å; D41-L43 HydrophobicContact CB-CG 4.06Å; D41-L43 PolarHBondContact O-N 2.93Å; D41-L43 VanDerWaalsContact OD2-CD1 3.29Å; D41-L43 WeakPolarHBondContact OD2-CD1 3.39Å
44T94.5Very high93.2Very high3 Ų343.6 Ų43.62%0.01824%0.241CC..SBendtrans-60.9148.9176.957.10000111.2I31 I34 D39 L46 N47 A48I31-T44 HydrophobicContact CG2-CG2 4.46Å; I31-T44 WeakPolarHBondContact O-CG2 3.47Å; I34-T44 HydrophobicContact CB-CG2 4.25Å; D39-T44 HydrophobicContact CB-CG2 3.72Å; D39-T44 VanDerWaalsContact OD2-CB 3.27Å; D39-T44 WeakPolarHBondContact OD2-CB 3.31Å; D39-T44 VanDerWaalsContact OD2-CG2 3.25Å; D39-T44 WeakPolarHBondContact OD2-CG2 3.39Å; D39-T44 PolarHBondContact OD2-N 3.25Å; D39-T44 PolarHBondContact OD2-OG1 3.49Å; T44-L46 PolarHBondContact O-N 2.88Å; T44-L46 VanDerWaalsContact O-N 3.11Å; T44-N47 PolarHBondContact O-N 2.98Å; T44-N47 VanDerWaalsContact O-N 3.13Å; T44-N47 PolarHBondContact OG1-N 3.04Å; T44-N47 PolarHBondContact OG1-ND2 3.18Å; T44-A48 WeakPolarHBondContact O-CB 3.42Å; T44-A48 PolarHBondContact O-N 3.1Å
45M94.6Very high93Very high122 Ų12246.1 Ų46.160%0.60126%0.255SS*.Hα-helixtrans-55-32.2176.3-77.1-172.9-77.200112.5N32 G49N32-M45 HydrophobicContact CB-CE 4.06Å; N32-M45 VanDerWaalsContact OD1-CB 3.27Å; N32-M45 WeakPolarHBondContact OD1-CB 3.24Å; N32-M45 WeakPolarHBondContact OD1-CE 3.47Å; N32-M45 VanDerWaalsContact OD1-CG 3.23Å; N32-M45 WeakPolarHBondContact OD1-CG 3.27Å; N32-M45 PolarHBondContact OD1-N 3.17Å; M45-G49 PolarHBondContact O-N 3.16Å
46L93.6Very high92.9Very high83 Ų8344.1 Ų44.144%0.43525%0.247SC..Hα-helixtrans-69.2-49177.4-172.265000111.7P36 T44 G49 R50P36-L46 HydrophobicContact CB-CB 4.36Å; P36-L46 HydrophobicContact CB-CD2 3.74Å; P36-L46 HydrophobicContact CB-CG 4.49Å; P36-L46 HydrophobicContact CG-CB 4.1Å; P36-L46 HydrophobicContact CG-CD2 3.56Å; P36-L46 HydrophobicContact CG-CG 4.43Å; T44-L46 PolarHBondContact O-N 2.88Å; T44-L46 VanDerWaalsContact O-N 3.11Å; L46-G49 PolarHBondContact O-N 3.37Å; L46-R50 WeakPolarHBondContact O-CG 3.21Å; L46-R50 PolarHBondContact O-N 2.98Å
47N94.4Very high92.6Very high0 Ų050.2 Ų50.20%028%0.276CS..Hα-helixtrans-66.5-41.7178.5-78.2-33.9000111.7P36 D39 T44 G49 R50 L51 V60P36-N47 PolarHBondContact O-ND2 2.96Å; D39-N47 PolarHBondContact OD2-ND2 2.82Å; T44-N47 PolarHBondContact O-N 2.98Å; T44-N47 VanDerWaalsContact O-N 3.13Å; T44-N47 PolarHBondContact OG1-N 3.04Å; T44-N47 PolarHBondContact OG1-ND2 3.18Å; N47-G49 VanDerWaalsContact C-N 3.3Å; N47-G49 PolarHBondContact O-N 3.31Å; N47-R50 PolarHBondContact O-N 2.87Å; N47-L51 PolarHBondContact O-N 3.2Å; N47-V60 PolarHBondContact OD1-N 3.07Å
48A93.5Very high92.3Very high44 Ų4452.1 Ų52.136%0.36428%0.279SS..Hα-helixtrans-59.3-41.517200000111.8T44 A52T44-A48 WeakPolarHBondContact O-CB 3.42Å; T44-A48 PolarHBondContact O-N 3.1Å; A48-A52 WeakPolarHBondContact O-CB 3.22Å; A48-A52 PolarHBondContact O-N 2.78Å
49G94.4Very high92.1Very high30 Ų3051.8 Ų51.831%0.30928%0.28SS..Hα-helixtrans-65.5-40.4176.100000113.4M45 L46 N47 A52 R53M45-G49 PolarHBondContact O-N 3.16Å; L46-G49 PolarHBondContact O-N 3.37Å; N47-G49 VanDerWaalsContact C-N 3.3Å; N47-G49 PolarHBondContact O-N 3.31Å; G49-A52 PolarHBondContact O-N 3.22Å; G49-R53 WeakPolarHBondContact O-CB 3.38Å; G49-R53 VanDerWaalsContact O-CG 3.28Å; G49-R53 WeakPolarHBondContact O-CG 3.46Å; G49-R53 PolarHBondContact O-N 3.21Å; G49-R53 VanDerWaalsContact O-N 3.08Å
50R93.7Very high92.1Very high74 Ų7453 Ų5328%0.27929%0.288SS..Hα-helixtrans-63.3-47175-72.9176174162.50.8111.3L46 N47 A52 R53 G54 D55 N58 A59L46-R50 WeakPolarHBondContact O-CG 3.21Å; L46-R50 PolarHBondContact O-N 2.98Å; N47-R50 PolarHBondContact O-N 2.87Å; R50-A52 PolarHBondContact O-N 2.87Å; R50-R53 PolarHBondContact O-N 3.09Å; R50-G54 PolarHBondContact O-N 2.79Å; R50-G54 VanDerWaalsContact O-N 3.13Å; R50-D55 HydrophobicContact CB-CB 4.12Å; R50-D55 HydrophobicContact CG-CB 4.46Å; R50-D55 PolarHBondContact O-N 2.81Å; R50-N58 VanDerWaalsContact CD-O 3.26Å; R50-N58 WeakPolarHBondContact CD-O 3.47Å; R50-N58 PolarHBondContact NH1-O 3.45Å; R50-A59 HydrophobicContact CB-CB 3.66Å
51L95.1Very high92.1Very high2 Ų254.1 Ų54.11%0.0129%0.293CS..Hα-helixtrans-58.1-49.7175175.762.2000111.4N47 R53 G54 L56 P62 P96 D99 L100 W103N47-L51 PolarHBondContact O-N 3.2Å; L51-R53 PolarHBondContact O-N 3.39Å; L51-G54 PolarHBondContact O-N 3.04Å; L51-L56 HydrophobicContact CD1-CD2 3.53Å; L51-P62 HydrophobicContact CD2-CG 4.19Å; L51-P96 HydrophobicContact CD2-CB 3.93Å; L51-D99 HydrophobicContact CG-CB 4.29Å; L51-L100 HydrophobicContact CD1-CB 4.13Å; L51-L100 HydrophobicContact CD1-CD1 4.06Å; L51-W103 PolarHBondContact O-NE1 3.5Å
52A94.5Very high92.2Very high47 Ų4753.1 Ų53.139%0.38829%0.288SS..Hα-helixtrans-61.3-29.1-18000000113A48 G49 R50A48-A52 WeakPolarHBondContact O-CB 3.22Å; A48-A52 PolarHBondContact O-N 2.78Å; G49-A52 PolarHBondContact O-N 3.22Å; R50-A52 PolarHBondContact O-N 2.87Å
53R94.6Very high92.3Very high210 Ų21053.1 Ų53.179%0.79229%0.288SS*.Hα-helixtrans-87.3-5.2177.1-70.4-178.267.684.84.8114.5G49 R50 L51 D55 W103G49-R53 WeakPolarHBondContact O-CB 3.38Å; G49-R53 VanDerWaalsContact O-CG 3.28Å; G49-R53 WeakPolarHBondContact O-CG 3.46Å; G49-R53 PolarHBondContact O-N 3.21Å; G49-R53 VanDerWaalsContact O-N 3.08Å; R50-R53 PolarHBondContact O-N 3.09Å; L51-R53 PolarHBondContact O-N 3.39Å; R53-D55 VanDerWaalsContact C-N 3.33Å; R53-W103 VanDerWaalsContact C-CZ2 3.45Å
54G90.1Very high92.3Very high27 Ų2752.8 Ų52.828%0.27829%0.287SS..THydrogen-bonded Turntrans8013.8-177.300000114.3R50 L51 L56 W103R50-G54 PolarHBondContact O-N 2.79Å; R50-G54 VanDerWaalsContact O-N 3.13Å; L51-G54 PolarHBondContact O-N 3.04Å; G54-L56 PolarHBondContact O-N 3.15Å; G54-W103 VanDerWaalsContact CA-CZ2 3.43Å; G54-W103 VanDerWaalsContact N-CE2 3.31Å; G54-W103 VanDerWaalsContact N-CZ2 3.29Å
55D90.1Very high92.4Very high59 Ų5952.7 Ų52.732%0.31629%0.286SS..  trans-80.758.6175.2-173.514.4000110.7R50 R53 L57 N58 A59R50-D55 HydrophobicContact CB-CB 4.12Å; R50-D55 HydrophobicContact CG-CB 4.46Å; R50-D55 PolarHBondContact O-N 2.81Å; R53-D55 VanDerWaalsContact C-N 3.33Å; D55-L57 PolarHBondContact O-N 2.88Å; D55-N58 PolarHBondContact O-N 2.92Å; D55-N58 PolarHBondContact OD1-ND2 3.02Å; D55-N58 PolarHBondContact OD2-ND2 3.3Å; D55-A59 VanDerWaalsContact O-CB 3.3Å; D55-A59 WeakPolarHBondContact O-CB 3.43Å; D55-A59 PolarHBondContact O-N 3.46Å
56L88.3Confident92.5Very high50 Ų5047.2 Ų47.226%0.26226%0.259SS..THydrogen-bonded Turntrans-65.9-23.1-173.8-59.8-175000113.2L51 G54 L100 W103L51-L56 HydrophobicContact CD1-CD2 3.53Å; G54-L56 PolarHBondContact O-N 3.15Å; L56-L100 HydrophobicContact CD2-CD1 4.34Å; L56-W103 HydrophobicContact CD1-CB 3.87Å; L56-W103 HydrophobicContact CG-CB 4.47Å
57L83.6Confident92.6Very high168 Ų16843.3 Ų43.388%0.8824%0.239SC*.THydrogen-bonded Turntrans-71-33.3178.8-70171.5000112.1D55D55-L57 PolarHBondContact O-N 2.88Å
58N82.7Confident92.7Very high94 Ų9443.3 Ų43.350%0.50324%0.239SC..THydrogen-bonded Turntrans-105.3-8.4-179.3-59.2-68.5000113R50 D55R50-N58 VanDerWaalsContact CD-O 3.26Å; R50-N58 WeakPolarHBondContact CD-O 3.47Å; R50-N58 PolarHBondContact NH1-O 3.45Å; D55-N58 PolarHBondContact O-N 2.92Å; D55-N58 PolarHBondContact OD1-ND2 3.02Å; D55-N58 PolarHBondContact OD2-ND2 3.3Å
59A87Confident92.8Very high13 Ų1341.4 Ų41.411%0.10722%0.222CC..SBendtrans-81.5135.3177.500000111.1R50 D55 I61R50-A59 HydrophobicContact CB-CB 3.66Å; D55-A59 VanDerWaalsContact O-CB 3.3Å; D55-A59 WeakPolarHBondContact O-CB 3.43Å; D55-A59 PolarHBondContact O-N 3.46Å; A59-I61 PolarHBondContact O-N 3.46Å
60V93.3Very high92.9Very high29 Ų2942.6 Ų42.618%0.17622%0.22CC..  trans-75.1108.9155.9-174.30000107.4D39 G42 N47 N198D39-V60 VanDerWaalsContact O-CG1 3.27Å; D39-V60 WeakPolarHBondContact O-CG1 3.47Å; G42-V60 WeakPolarHBondContact CA-O 3.43Å; N47-V60 PolarHBondContact OD1-N 3.07Å; V60-N198 HydrophobicContact CG1-CB 4.16Å; V60-N198 WeakPolarHBondContact CG1-ND2 3.32Å
61I94.8Very high93Very high28 Ų2840.8 Ų40.814%0.14422%0.216CC..  trans-70128.1-179.6-53.7178.4000108.4A59 N66 L100 N198A59-I61 PolarHBondContact O-N 3.46Å; I61-N66 HydrophobicContact CB-CB 4.38Å; I61-N66 HydrophobicContact CG2-CB 3.79Å; I61-L100 HydrophobicContact CD1-CD1 4.17Å; I61-L100 HydrophobicContact CG2-CD1 3.87Å; I61-L100 HydrophobicContact CG2-CD2 3.76Å; I61-L100 HydrophobicContact CG2-CG 4.42Å; I61-N198 PolarHBondContact O-ND2 3.36Å
62P95.7Very high93.1Very high4 Ų440.8 Ų40.83%0.02622%0.216CC..  trans-59.8139.6-177.3-24.333.9000112.8D41 L51 T64 P65 N66 P96D41-P62 VanDerWaalsContact O-CA 3.3Å; D41-P62 WeakPolarHBondContact O-CA 3.28Å; L51-P62 HydrophobicContact CD2-CG 4.19Å; P62-T64 PolarHBondContact O-N 3.01Å; P62-P65 HydrophobicContact CB-CG 4.04Å; P62-P65 WeakPolarHBondContact O-CD 3.35Å; P62-N66 WeakPolarHBondContact O-CB 3.41Å; P62-N66 PolarHBondContact O-N 3.36Å; P62-P96 HydrophobicContact CG-CB 4.1Å
63C95.7Very high93.1Very high1 Ų143.4 Ų43.41%0.00722%0.218CC..Hα-helixtrans-58.4-46.2-165-61.80000113.4V40 D41 N66 G67 T191 M194 L195V40-C63 PolarHBondContact O-SG 2.91Å; D41-C63 PolarHBondContact OD1-SG 3.26Å; C63-N66 PolarHBondContact O-N 2.95Å; C63-G67 PolarHBondContact O-N 3.05Å; C63-T191 HydrophobicContact CB-CG2 3.71Å; C63-M194 HydrophobicContact CB-CB 4.14Å; C63-L195 VanDerWaalsContact SG-CA 3.53Å
64T94.8Very high93.1Very high21 Ų2137.7 Ų37.713%0.12921%0.211CC..Hα-helixtrans-69.6-50.8-176.2-57.90000112.8P62 N66 G67 C68 V93 V187 T191P62-T64 PolarHBondContact O-N 3.01Å; T64-N66 VanDerWaalsContact C-N 3.29Å; T64-N66 PolarHBondContact O-N 3.23Å; T64-G67 PolarHBondContact O-N 2.87Å; T64-G67 VanDerWaalsContact O-N 3.15Å; T64-C68 PolarHBondContact O-N 2.63Å; T64-C68 PolarHBondContact O-SG 2.79Å; T64-V93 HydrophobicContact CG2-CB 4.44Å; T64-V93 HydrophobicContact CG2-CG1 4.01Å; T64-V93 HydrophobicContact CG2-CG2 3.62Å; T64-V187 HydrophobicContact CG2-CG1 3.67Å; T64-T191 WeakPolarHBondContact OG1-CG2 3.38Å; T64-T191 PolarHBondContact OG1-OG1 3.3Å
65P96Very high93.3Very high0 Ų039.1 Ų39.10%021%0.211CC..Hα-helixtrans-53-43.7169.9-27.632.4000113.9P62 G67 C68 L69 P96 A97 L100P62-P65 HydrophobicContact CB-CG 4.04Å; P62-P65 WeakPolarHBondContact O-CD 3.35Å; P65-G67 VanDerWaalsContact C-N 3.33Å; P65-C68 WeakPolarHBondContact O-CB 3.3Å; P65-C68 PolarHBondContact O-N 3.15Å; P65-L69 PolarHBondContact O-N 2.97Å; P65-P96 HydrophobicContact CB-CB 4.36Å; P65-P96 HydrophobicContact CG-CB 3.54Å; P65-A97 HydrophobicContact CB-CB 4.21Å; P65-A97 HydrophobicContact CG-CB 4.44Å; P65-L100 HydrophobicContact CB-CD2 3.88Å
66N96.1Very high93.5Very high8 Ų839.7 Ų39.74%0.04323%0.231CC..Hα-helixtrans-66.3-38.9178.3-161.226.3000111.2I61 P62 C63 T64 C68 L69 E70 M194I61-N66 HydrophobicContact CB-CB 4.38Å; I61-N66 HydrophobicContact CG2-CB 3.79Å; P62-N66 WeakPolarHBondContact O-CB 3.41Å; P62-N66 PolarHBondContact O-N 3.36Å; C63-N66 PolarHBondContact O-N 2.95Å; T64-N66 VanDerWaalsContact C-N 3.29Å; T64-N66 PolarHBondContact O-N 3.23Å; N66-C68 VanDerWaalsContact C-N 3.29Å; N66-C68 PolarHBondContact O-N 3.27Å; N66-L69 WeakPolarHBondContact O-CB 3.13Å; N66-L69 PolarHBondContact O-N 3.27Å; N66-L69 VanDerWaalsContact O-N 3.14Å; N66-E70 WeakPolarHBondContact O-CG 3.31Å; N66-E70 PolarHBondContact O-N 2.84Å; N66-M194 HydrophobicContact CB-CB 4.46Å; N66-M194 HydrophobicContact CB-CG 4.01Å; N66-M194 HydrophobicContact CB-SD 4.3Å; N66-M194 PolarHBondContact ND2-SD 3.27Å
67G96.5Very high93.7Very high0 Ų038.3 Ų38.30%022%0.224CC..Hα-helixtrans-60.4-38.3173.600000112.4C63 T64 P65 E70 L71C63-G67 PolarHBondContact O-N 3.05Å; T64-G67 PolarHBondContact O-N 2.87Å; T64-G67 VanDerWaalsContact O-N 3.15Å; P65-G67 VanDerWaalsContact C-N 3.33Å; G67-E70 PolarHBondContact O-N 3.07Å; G67-L71 VanDerWaalsContact O-CG 3.31Å; G67-L71 WeakPolarHBondContact O-CG 3.5Å; G67-L71 PolarHBondContact O-N 2.98Å
68C96.7Very high94.1Very high0 Ų035.8 Ų35.80%021%0.212CC..Hα-helixtrans-64.4-43.4173.7-590000111.7T64 P65 N66 L71 L72 F101 I150T64-C68 PolarHBondContact O-N 2.63Å; T64-C68 PolarHBondContact O-SG 2.79Å; P65-C68 WeakPolarHBondContact O-CB 3.3Å; P65-C68 PolarHBondContact O-N 3.15Å; N66-C68 VanDerWaalsContact C-N 3.29Å; N66-C68 PolarHBondContact O-N 3.27Å; C68-L71 PolarHBondContact O-N 3.46Å; C68-L72 WeakPolarHBondContact O-CG 3.41Å; C68-L72 PolarHBondContact O-N 3.37Å; C68-L72 VanDerWaalsContact O-N 3.12Å; C68-F101 HydrophobicContact CB-CE1 4.44Å; C68-F101 HydrophobicContact CB-CZ 3.84Å; C68-I150 HydrophobicContact CB-CD1 4.1Å; C68-I150 HydrophobicContact CB-CG2 4.22Å
69L96.1Very high94.6Very high4 Ų431.7 Ų31.72%0.02119%0.19CC..Hα-helixtrans-61.4-46.1176.2177.364.6000112P65 N66 L71 L72 K73 M79 L100 F101 H104P65-L69 PolarHBondContact O-N 2.97Å; N66-L69 WeakPolarHBondContact O-CB 3.13Å; N66-L69 PolarHBondContact O-N 3.27Å; N66-L69 VanDerWaalsContact O-N 3.14Å; L69-L71 VanDerWaalsContact C-N 3.35Å; L69-L72 PolarHBondContact O-N 2.98Å; L69-K73 WeakPolarHBondContact O-CG 3.19Å; L69-K73 PolarHBondContact O-N 2.73Å; L69-M79 HydrophobicContact CD1-CE 3.28Å; L69-M79 HydrophobicContact CD1-SD 4.1Å; L69-L100 HydrophobicContact CB-CD2 4.21Å; L69-L100 HydrophobicContact CD2-CD1 4.38Å; L69-L100 HydrophobicContact CD2-CD2 4.12Å; L69-L100 HydrophobicContact CD2-CG 4.33Å; L69-F101 HydrophobicContact CB-CE1 4.11Å; L69-H104 VanDerWaalsContact CD2-CE1 3.47Å; L69-H104 WeakPolarHBondContact CD2-CE1 3.47Å; L69-H104 WeakPolarHBondContact CD2-NE2 3.45Å
70E96.1Very high94.9Very high56 Ų5633.3 Ų33.326%0.26220%0.203SC..Hα-helixtrans-66.7-35178.4-69.7-53.1132.200112.4N66 G67 K73 S74 M190 M194N66-E70 WeakPolarHBondContact O-CG 3.31Å; N66-E70 PolarHBondContact O-N 2.84Å; G67-E70 PolarHBondContact O-N 3.07Å; E70-K73 PolarHBondContact O-N 2.99Å; E70-K73 WeakPolarHBondContact OE1-CD 3.38Å; E70-K73 IonicContact OE1-NZ 3.64Å; E70-K73 PolarHBondContact OE1-NZ 3.36Å; E70-S74 WeakPolarHBondContact O-CB 3.03Å; E70-S74 PolarHBondContact O-N 3.05Å; E70-M190 HydrophobicContact CB-CE 3.68Å; E70-M194 HydrophobicContact CG-CE 4.16Å; E70-M194 HydrophobicContact CG-SD 3.75Å
71L96Very high94.9Very high36 Ų3634.9 Ų34.919%0.18823%0.225CC..Hα-helixtrans-58.8-48.6170.7-77.5169000111.2G67 C68 L69 K73 S74 I75 T181 V187 M190G67-L71 VanDerWaalsContact O-CG 3.31Å; G67-L71 WeakPolarHBondContact O-CG 3.5Å; G67-L71 PolarHBondContact O-N 2.98Å; C68-L71 PolarHBondContact O-N 3.46Å; L69-L71 VanDerWaalsContact C-N 3.35Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 3.36Å; L71-S74 PolarHBondContact O-N 2.87Å; L71-S74 VanDerWaalsContact O-N 3.17Å; L71-S74 PolarHBondContact O-OG 3.24Å; L71-I75 WeakPolarHBondContact O-CG1 3.5Å; L71-I75 PolarHBondContact O-N 3.33Å; L71-T181 HydrophobicContact CD1-CG2 3.95Å; L71-V187 HydrophobicContact CD1-CG2 4.37Å; L71-M190 HydrophobicContact CD1-CG 4.02Å; L71-M190 HydrophobicContact CD2-CG 3.76Å; L71-M190 HydrophobicContact CD2-SD 4.25Å; L71-M190 HydrophobicContact CG-CE 4.48Å; L71-M190 HydrophobicContact CG-CG 3.74Å
72L96.4Very high95Very high1 Ų136.8 Ų36.81%0.00523%0.232CC..Hα-helixtrans-59.6-42.8178-67.5168.5000112.2C68 L69 I75 G76 V77 M79 F101 I127 V148 I150C68-L72 WeakPolarHBondContact O-CG 3.41Å; C68-L72 PolarHBondContact O-N 3.37Å; C68-L72 VanDerWaalsContact O-N 3.12Å; L69-L72 PolarHBondContact O-N 2.98Å; L72-I75 VanDerWaalsContact O-CG1 3.23Å; L72-I75 WeakPolarHBondContact O-CG1 3.3Å; L72-I75 PolarHBondContact O-N 2.92Å; L72-G76 PolarHBondContact O-N 2.79Å; L72-V77 HydrophobicContact CB-CB 4.45Å; L72-V77 HydrophobicContact CD2-CB 4.35Å; L72-V77 HydrophobicContact CD2-CG1 4.23Å; L72-V77 PolarHBondContact O-N 3.12Å; L72-M79 HydrophobicContact CD1-CG 4.18Å; L72-M79 HydrophobicContact CD1-SD 3.45Å; L72-M79 WeakPolarHBondContact CD1-SD 3.47Å; L72-F101 HydrophobicContact CD1-CE2 4.13Å; L72-F101 HydrophobicContact CD1-CZ 3.98Å; L72-I127 HydrophobicContact CD1-CD1 4.22Å; L72-I127 HydrophobicContact CD1-CG2 4.1Å; L72-I127 HydrophobicContact CD2-CD1 4.22Å; L72-I127 HydrophobicContact CD2-CG1 4.34Å; L72-I127 HydrophobicContact CD2-CG2 4Å; L72-V148 HydrophobicContact CD2-CB 4.47Å; L72-V148 HydrophobicContact CD2-CG1 3.7Å; L72-I150 HydrophobicContact CD1-CD1 4.12Å; L72-I150 HydrophobicContact CD2-CD1 3.86Å; L72-I150 HydrophobicContact CG-CD1 3.76Å
73K94.8Very high95.1Very high103 Ų10338.7 Ų38.745%0.44824%0.241SC..Hα-helixtrans-61.7-43.7174.7-70.2174.5-174.61680111.8L69 E70 L71 I75 G76L69-K73 WeakPolarHBondContact O-CG 3.19Å; L69-K73 PolarHBondContact O-N 2.73Å; E70-K73 PolarHBondContact O-N 2.99Å; E70-K73 WeakPolarHBondContact OE1-CD 3.38Å; E70-K73 IonicContact OE1-NZ 3.64Å; E70-K73 PolarHBondContact OE1-NZ 3.36Å; L71-K73 VanDerWaalsContact C-N 3.34Å; L71-K73 PolarHBondContact O-N 3.36Å; K73-I75 PolarHBondContact O-N 3.36Å; K73-G76 PolarHBondContact O-N 3.15Å
74S94.1Very high95.2Very high90 Ų9038.7 Ų38.763%0.62924%0.24SC*.Hα-helixtrans-62.4-28.9-177.576.90000113.8E70 L71E70-S74 WeakPolarHBondContact O-CB 3.03Å; E70-S74 PolarHBondContact O-N 3.05Å; L71-S74 PolarHBondContact O-N 2.87Å; L71-S74 VanDerWaalsContact O-N 3.17Å; L71-S74 PolarHBondContact O-OG 3.24Å
75I94.5Very high95.4Very high57 Ų5737.7 Ų37.729%0.29223%0.234SC..THydrogen-bonded Turntrans-957.5176.163.6171.3000113.3L71 L72 K73 V77 V148 F179L71-I75 WeakPolarHBondContact O-CG1 3.5Å; L71-I75 PolarHBondContact O-N 3.33Å; L72-I75 VanDerWaalsContact O-CG1 3.23Å; L72-I75 WeakPolarHBondContact O-CG1 3.3Å; L72-I75 PolarHBondContact O-N 2.92Å; K73-I75 PolarHBondContact O-N 3.36Å; I75-V77 HydrophobicContact CD1-CG2 3.7Å; I75-V77 HydrophobicContact CG1-CB 4.32Å; I75-V77 HydrophobicContact CG1-CG2 3.75Å; I75-V148 HydrophobicContact CD1-CG1 3.95Å; I75-V148 HydrophobicContact CD1-CG2 4.3Å; I75-F179 HydrophobicContact CB-CD1 4.47Å; I75-F179 HydrophobicContact CB-CE1 4.19Å; I75-F179 HydrophobicContact CB-CE2 4.39Å; I75-F179 HydrophobicContact CB-CZ 4.15Å; I75-F179 HydrophobicContact CD1-CB 4.07Å; I75-F179 HydrophobicContact CD1-CD1 4.28Å; I75-F179 HydrophobicContact CD1-CD2 3.78Å; I75-F179 HydrophobicContact CD1-CE2 4.27Å; I75-F179 HydrophobicContact CD1-CG 3.78Å; I75-F179 HydrophobicContact CG2-CD1 4Å; I75-F179 HydrophobicContact CG2-CE1 3.88Å; I75-F179 HydrophobicContact CG2-CZ 4.35Å
76G93.7Very high95.5Very high70 Ų7037.7 Ų37.772%0.72223%0.234SC*.THydrogen-bonded Turntrans72.625.2176.800000115L72 K73L72-G76 PolarHBondContact O-N 2.79Å; K73-G76 PolarHBondContact O-N 3.15Å
77V93.1Very high95.5Very high22 Ų2237.3 Ų37.313%0.13323%0.232CC..  trans-87.2111177.3173.10000110.1L72 I75 K82 I127 V148L72-V77 HydrophobicContact CB-CB 4.45Å; L72-V77 HydrophobicContact CD2-CB 4.35Å; L72-V77 HydrophobicContact CD2-CG1 4.23Å; L72-V77 PolarHBondContact O-N 3.12Å; I75-V77 HydrophobicContact CD1-CG2 3.7Å; I75-V77 HydrophobicContact CG1-CB 4.32Å; I75-V77 HydrophobicContact CG1-CG2 3.75Å; V77-K82 HydrophobicContact CG1-CD 4.11Å; V77-I127 HydrophobicContact CG1-CD1 3.86Å; V77-I127 HydrophobicContact CG1-CG1 4.33Å; V77-V148 HydrophobicContact CG2-CG2 4.09Å
78D91.8Very high95.4Very high114 Ų11437.4 Ų37.461%0.6123%0.233SC*.  trans-75.7126.1165.7-176.16.9000110A80 K82D78-A80 WeakPolarHBondContact OD1-CB 3.28Å; D78-A80 PolarHBondContact OD1-N 3.25Å; D78-K82 WeakPolarHBondContact O-CD 3.34Å; D78-K82 WeakPolarHBondContact O-CE 3.48Å; D78-K82 WeakPolarHBondContact O-CG 3.18Å
79M92.8Very high95.1Very high9 Ų944.7 Ų44.74%0.04426%0.261CS..  trans-84.9-16-178.8-63.7-160.7-55.300113.4L69 L72 G81 K82 F101 H104 A106 I127L69-M79 HydrophobicContact CD1-CE 3.28Å; L69-M79 HydrophobicContact CD1-SD 4.1Å; L72-M79 HydrophobicContact CD1-CG 4.18Å; L72-M79 HydrophobicContact CD1-SD 3.45Å; L72-M79 WeakPolarHBondContact CD1-SD 3.47Å; M79-G81 PolarHBondContact O-N 3.26Å; M79-G81 VanDerWaalsContact O-N 3.13Å; M79-K82 WeakPolarHBondContact O-CB 3.29Å; M79-K82 PolarHBondContact O-N 3.43Å; M79-F101 HydrophobicContact CE-CB 4.41Å; M79-F101 HydrophobicContact CE-CD1 4.09Å; M79-F101 HydrophobicContact CE-CG 4.27Å; M79-F101 HydrophobicContact SD-CD1 4.18Å; M79-F101 HydrophobicContact SD-CD2 4.25Å; M79-F101 HydrophobicContact SD-CE1 4.46Å; M79-F101 HydrophobicContact SD-CE2 4.47Å; M79-F101 HydrophobicContact SD-CG 4.08Å; M79-H104 HydrophobicContact CE-CB 3.12Å; M79-A106 HydrophobicContact CB-CB 4.33Å; M79-A106 WeakPolarHBondContact O-CA 3.48Å; M79-I127 HydrophobicContact CG-CD1 3.9Å; M79-I127 HydrophobicContact SD-CD1 4.38Å
80A95Very high94.9Very high47 Ų4746.8 Ų46.839%0.38828%0.275SS..THydrogen-bonded Turntrans-56.5120.1-175.500000111.5D78 K82 N105D78-A80 WeakPolarHBondContact OD1-CB 3.28Å; D78-A80 PolarHBondContact OD1-N 3.25Å; A80-K82 PolarHBondContact O-N 3.01Å; A80-N105 HydrophobicContact CB-CB 4.06Å
81G93.5Very high94.5Very high61 Ų6153.1 Ų53.163%0.62930%0.297SS*.THydrogen-bonded Turntrans74.5-6.9-179.300000115.7M79 N105M79-G81 PolarHBondContact O-N 3.26Å; M79-G81 VanDerWaalsContact O-N 3.13Å; G81-N105 PolarHBondContact N-O 3.39Å
82K96.6Very high94Very high69 Ų6954.8 Ų54.830%0.331%0.305SS..  trans-70.4145.1177.3-69.4-161.9177-140.70111.3V77 D78 M79 A80 C84 T107 D126 I127V77-K82 HydrophobicContact CG1-CD 4.11Å; D78-K82 WeakPolarHBondContact O-CD 3.34Å; D78-K82 WeakPolarHBondContact O-CE 3.48Å; D78-K82 WeakPolarHBondContact O-CG 3.18Å; M79-K82 WeakPolarHBondContact O-CB 3.29Å; M79-K82 PolarHBondContact O-N 3.43Å; A80-K82 PolarHBondContact O-N 3.01Å; K82-C84 PolarHBondContact O-N 2.98Å; K82-T107 PolarHBondContact O-N 3.16Å; K82-D126 HydrophobicContact CB-CB 3.98Å; K82-D126 HydrophobicContact CD-CB 4.05Å; K82-D126 HydrophobicContact CG-CB 4.28Å; K82-I127 HydrophobicContact CB-CD1 4.35Å; K82-I127 HydrophobicContact CD-CD1 4.07Å; K82-I127 HydrophobicContact CD-CG1 4.42Å
83H98Very high93.8Very high44 Ų4455.4 Ų55.420%0.20431%0.309CS..EExtended strand (participates in β ladder)trans-82.8104.3173.6-169-163.2000109.5T107 T109 T124 A125 D126 I127H83-T107 CarbonylContact C-O 3.52Å; H83-T107 WeakPolarHBondContact CA-O 3.43Å; H83-T107 PolarHBondContact CD2-O 2.77Å; H83-T109 PolarHBondContact NE2-OG1 2.91Å; H83-T124 PolarHBondContact CE1-OG1 3.15Å; H83-T124 PolarHBondContact ND1-OG1 3.05Å; H83-A125 CarbonylContact O-C 3.46Å; H83-A125 WeakPolarHBondContact O-CA 3.38Å; H83-D126 PolarHBondContact N-OD2 2.84Å; H83-D126 PolarHBondContact O-N 3.24Å; H83-I127 PolarHBondContact O-N 3.43Å
84C97.7Very high93.8Very high0 Ų050.5 Ų50.50%029%0.288CS..EExtended strand (participates in β ladder)trans-95.1125.3173.5-172.40000110.7K82 F101 A106 T107 V108 T109 I127K82-C84 PolarHBondContact O-N 2.98Å; C84-F101 HydrophobicContact CB-CD2 4.39Å; C84-F101 VanDerWaalsContact SG-CD2 3.52Å; C84-A106 HydrophobicContact CB-CB 4.24Å; C84-T107 PolarHBondContact N-O 3.13Å; C84-V108 HydrophobicContact CB-CG2 4.48Å; C84-V108 CarbonylContact O-C 3.47Å; C84-V108 WeakPolarHBondContact O-CA 3.35Å; C84-T109 PolarHBondContact O-N 2.95Å; C84-I127 CarbonylContact C-O 3.57Å; C84-I127 VanDerWaalsContact CA-O 3.27Å; C84-I127 WeakPolarHBondContact CA-O 3.47Å; C84-I127 HydrophobicContact CB-CB 4.28Å; C84-I127 PolarHBondContact SG-O 2.81Å
85V98.1Very high93.8Very high0 Ų052.6 Ų52.60%028%0.282CS..EExtended strand (participates in β ladder)trans-104.7124.2171.9176.80000108.4I87 T109 I121 A125 I127 L128 V129V85-I87 HydrophobicContact CG1-CG1 4.22Å; V85-T109 WeakPolarHBondContact CA-O 3.3Å; V85-I121 HydrophobicContact CG1-CG2 4.08Å; V85-I121 HydrophobicContact CG2-CG2 4Å; V85-A125 HydrophobicContact CB-CB 3.76Å; V85-A125 HydrophobicContact CG2-CB 3.56Å; V85-I127 PolarHBondContact N-O 3.36Å; V85-L128 HydrophobicContact CB-CD1 3.72Å; V85-L128 HydrophobicContact CG1-CD1 3.71Å; V85-L128 CarbonylContact O-C 3.57Å; V85-L128 WeakPolarHBondContact O-CA 3.34Å; V85-V129 PolarHBondContact O-N 2.63Å
86V97.8Very high93.8Very high0 Ų050.5 Ų50.50%027%0.272CS..EExtended strand (participates in β ladder)trans-112.8111.7177.2-177.60000108.4G94 A97 S98 V108 T109 T110 C111 V129V86-G94 WeakPolarHBondContact CG1-O 3.35Å; V86-A97 HydrophobicContact CG1-CB 4.45Å; V86-S98 WeakPolarHBondContact CB-OG 3.27Å; V86-V108 HydrophobicContact CG2-CG1 4.12Å; V86-T109 PolarHBondContact N-O 2.81Å; V86-T110 CarbonylContact O-C 3.41Å; V86-T110 WeakPolarHBondContact O-CA 3.14Å; V86-C111 PolarHBondContact O-N 3.14Å; V86-V129 CarbonylContact C-O 3.59Å; V86-V129 WeakPolarHBondContact CA-O 3.36Å; V86-V129 HydrophobicContact CG1-CB 4.33Å; V86-V129 HydrophobicContact CG2-CB 4.23Å; V86-V129 HydrophobicContact CG2-CG2 4.5Å
87I97.4Very high93.9Very high0 Ų047.1 Ų47.10%024%0.238CC..EExtended strand (participates in β ladder)trans-95.2101.3177.1-46.4179.1000108.6V85 C111 L118 C122 L128 V129 V130 A131 V132 V138V85-I87 HydrophobicContact CG1-CG1 4.22Å; I87-C111 HydrophobicContact CG1-CB 4.33Å; I87-C111 HydrophobicContact CG2-CB 4.49Å; I87-L118 HydrophobicContact CD1-CD1 4.15Å; I87-L118 HydrophobicContact CD1-CD2 4.37Å; I87-L118 HydrophobicContact CD1-CG 4.38Å; I87-L118 HydrophobicContact CG1-CD1 4.29Å; I87-L118 HydrophobicContact CG2-CD2 4.16Å; I87-C122 VanDerWaalsContact CD1-SG 3.53Å; I87-L128 HydrophobicContact CD1-CD1 4.04Å; I87-L128 HydrophobicContact CG1-CD1 4.1Å; I87-V129 PolarHBondContact N-O 3.24Å; I87-V130 HydrophobicContact CB-CG1 4.32Å; I87-V130 HydrophobicContact CD1-CG1 4.42Å; I87-V130 HydrophobicContact CD1-CG2 4.25Å; I87-A131 CarbonylContact O-C 3.42Å; I87-A131 VanDerWaalsContact O-C 3.27Å; I87-A131 WeakPolarHBondContact O-CA 3.23Å; I87-A131 PolarHBondContact O-N 3.25Å; I87-V132 HydrophobicContact CG2-CB 4.09Å; I87-V132 HydrophobicContact CG2-CG2 4.25Å; I87-V132 PolarHBondContact O-N 2.86Å; I87-V138 HydrophobicContact CD1-CG2 3.72Å
88G94Very high94.1Very high2 Ų246.3 Ų46.32%0.02123%0.233CC..  trans153.4137-178.200000110.5G94 C111 A131G88-G94 WeakPolarHBondContact O-CA 3.4Å; G88-C111 PolarHBondContact N-O 3.4Å; G88-A131 WeakPolarHBondContact CA-O 3.27Å
89R90.2Very high94.3Very high154 Ų15441.7 Ų41.758%0.58121%0.208SC*.  trans-118.417.5177.465.8-179.6177.1-161.20.1113H112R89-H112 HydrophobicContact CG-CB 4.34Å
90S90.6Very high94.5Very high47 Ų4741.2 Ų41.233%0.32921%0.206SC..  trans-67.7152.8178.468.10000110.7I92 V93 G94 R95S90-I92 PolarHBondContact O-N 3.31Å; S90-V93 PolarHBondContact OG-N 2.85Å; S90-G94 PolarHBondContact OG-N 2.92Å; S90-R95 PolarHBondContact O-N 3.3Å
91R87.7Confident94.6Very high189 Ų18939 Ų3971%0.71319%0.187SC*.THydrogen-bonded Turntrans-73.8-12.4174.8-62179.7-175.6168.81.9113E28 P96E28-R91 IonicContact OE2-NH1 3.63Å; E28-R91 PolarHBondContact OE2-NH1 3.23Å; R91-P96 WeakPolarHBondContact O-CG 3.37Å
92I87.4Confident94.8Very high71 Ų7140.4 Ų40.436%0.36418%0.18SC..THydrogen-bonded Turntrans-93.3-49.6-174.2-57174.5000110.8L17 S90L17-I92 HydrophobicContact CD1-CD1 4.06Å; S90-I92 PolarHBondContact O-N 3.31Å
93V92.3Very high94.7Very high15 Ų1542.4 Ų42.49%0.09119%0.186CC..THydrogen-bonded Turntrans-118.5-59.4-173.9-173.80000111.3T64 S90 R95 A97 A131 C152T64-V93 HydrophobicContact CG2-CB 4.44Å; T64-V93 HydrophobicContact CG2-CG1 4.01Å; T64-V93 HydrophobicContact CG2-CG2 3.62Å; S90-V93 PolarHBondContact OG-N 2.85Å; V93-R95 PolarHBondContact O-N 2.96Å; V93-A97 WeakPolarHBondContact O-CB 3.33Å; V93-A97 PolarHBondContact O-N 2.79Å; V93-A131 HydrophobicContact CB-CB 3.89Å; V93-A131 HydrophobicContact CG1-CB 3.73Å; V93-C152 HydrophobicContact CG1-CB 3.94Å
94G93.7Very high94.5Very high0 Ų042.8 Ų42.80%019%0.188CC..Hα-helixtrans-57.8-58.4-16700000113.4V86 G88 S90 S98V86-G94 WeakPolarHBondContact CG1-O 3.35Å; G88-G94 WeakPolarHBondContact O-CA 3.4Å; S90-G94 PolarHBondContact OG-N 2.92Å; G94-S98 PolarHBondContact O-N 2.87Å; G94-S98 VanDerWaalsContact O-N 3.16Å; G94-S98 PolarHBondContact O-OG 3.27Å
95R93.9Very high94.5Very high134 Ų13448.4 Ų48.451%0.50622%0.218SC..Hα-helixtrans-67.1-48.4-178.9-179.468-164.2-165.47.4112.7S90 V93 A97 S98 D99S90-R95 PolarHBondContact O-N 3.3Å; V93-R95 PolarHBondContact O-N 2.96Å; R95-A97 PolarHBondContact O-N 3.4Å; R95-S98 WeakPolarHBondContact O-CB 3.48Å; R95-S98 PolarHBondContact O-N 2.88Å; R95-D99 IonicContact CZ-OD1 2.86Å; R95-D99 VanDerWaalsContact CZ-OD1 3.25Å; R95-D99 IonicContact CZ-OD2 3.66Å; R95-D99 IonicContact NE-OD1 3.86Å; R95-D99 PolarHBondContact NE-OD1 2.82Å; R95-D99 IonicContact NE-OD2 2.85Å; R95-D99 PolarHBondContact NE-OD2 3.23Å; R95-D99 IonicContact NH2-OD1 3.4Å; R95-D99 PolarHBondContact NH2-OD1 2.97Å; R95-D99 IonicContact NH2-OD2 3.15Å; R95-D99 PolarHBondContact O-N 3.03Å
96P95Very high94.4Very high12 Ų1248.6 Ų48.68%0.07822%0.219CC..Hα-helixtrans-58.9-39176.5-31.139.9000115L51 P62 P65 R91 D99 L100L51-P96 HydrophobicContact CD2-CB 3.93Å; P62-P96 HydrophobicContact CG-CB 4.1Å; P65-P96 HydrophobicContact CB-CB 4.36Å; P65-P96 HydrophobicContact CG-CB 3.54Å; R91-P96 WeakPolarHBondContact O-CG 3.37Å; P96-D99 PolarHBondContact O-N 2.78Å; P96-L100 WeakPolarHBondContact O-CB 3.38Å; P96-L100 PolarHBondContact O-N 3.42Å
97A96.5Very high94.4Very high0 Ų052.6 Ų52.60%024%0.243CC..Hα-helixtrans-64.3-41.8175.700000111.4P65 V86 V93 R95 L100 F101P65-A97 HydrophobicContact CB-CB 4.21Å; P65-A97 HydrophobicContact CG-CB 4.44Å; V86-A97 HydrophobicContact CG1-CB 4.45Å; V93-A97 WeakPolarHBondContact O-CB 3.33Å; V93-A97 PolarHBondContact O-N 2.79Å; R95-A97 PolarHBondContact O-N 3.4Å; A97-L100 PolarHBondContact O-N 3.37Å; A97-F101 VanDerWaalsContact O-CB 3.31Å; A97-F101 WeakPolarHBondContact O-CB 3.47Å; A97-F101 WeakPolarHBondContact O-CD1 3.4Å; A97-F101 WeakPolarHBondContact O-CG 3.4Å; A97-F101 PolarHBondContact O-N 2.91Å
98S96.7Very high94.4Very high4 Ų454.1 Ų54.13%0.02825%0.253CS..Hα-helixtrans-60.1-47.1175.4-67.10000112.8V86 G94 R95 L102 T110V86-S98 WeakPolarHBondContact CB-OG 3.27Å; G94-S98 PolarHBondContact O-N 2.87Å; G94-S98 VanDerWaalsContact O-N 3.16Å; G94-S98 PolarHBondContact O-OG 3.27Å; R95-S98 WeakPolarHBondContact O-CB 3.48Å; R95-S98 PolarHBondContact O-N 2.88Å; S98-L102 WeakPolarHBondContact O-CB 3.33Å; S98-L102 PolarHBondContact O-N 3.15Å; S98-L102 VanDerWaalsContact O-N 3.15Å; S98-T110 WeakPolarHBondContact CB-OG1 3.41Å; S98-T110 PolarHBondContact OG-OG1 2.98Å
99D96.1Very high94.6Very high17 Ų1756.3 Ų56.39%0.09127%0.266CS..Hα-helixtrans-66.9-45.5179.9-67.1-33.5000110.6L51 R95 P96 F101 L102 W103L51-D99 HydrophobicContact CG-CB 4.29Å; R95-D99 IonicContact CZ-OD1 2.86Å; R95-D99 VanDerWaalsContact CZ-OD1 3.25Å; R95-D99 IonicContact CZ-OD2 3.66Å; R95-D99 IonicContact NE-OD1 3.86Å; R95-D99 PolarHBondContact NE-OD1 2.82Å; R95-D99 IonicContact NE-OD2 2.85Å; R95-D99 PolarHBondContact NE-OD2 3.23Å; R95-D99 IonicContact NH2-OD1 3.4Å; R95-D99 PolarHBondContact NH2-OD1 2.97Å; R95-D99 IonicContact NH2-OD2 3.15Å; R95-D99 PolarHBondContact O-N 3.03Å; P96-D99 PolarHBondContact O-N 2.78Å; D99-F101 PolarHBondContact O-N 2.82Å; D99-L102 PolarHBondContact O-N 3.32Å; D99-W103 PolarHBondContact O-N 3.48Å
100L96.6Very high94.9Very high0 Ų052 Ų520%026%0.257CS..Hα-helixtrans-58.7-45.3178.5-178.661.8000112.2L51 L56 I61 P65 L69 P96 A97 W103 H104L51-L100 HydrophobicContact CD1-CB 4.13Å; L51-L100 HydrophobicContact CD1-CD1 4.06Å; L56-L100 HydrophobicContact CD2-CD1 4.34Å; I61-L100 HydrophobicContact CD1-CD1 4.17Å; I61-L100 HydrophobicContact CG2-CD1 3.87Å; I61-L100 HydrophobicContact CG2-CD2 3.76Å; I61-L100 HydrophobicContact CG2-CG 4.42Å; P65-L100 HydrophobicContact CB-CD2 3.88Å; L69-L100 HydrophobicContact CB-CD2 4.21Å; L69-L100 HydrophobicContact CD2-CD1 4.38Å; L69-L100 HydrophobicContact CD2-CD2 4.12Å; L69-L100 HydrophobicContact CD2-CG 4.33Å; P96-L100 WeakPolarHBondContact O-CB 3.38Å; P96-L100 PolarHBondContact O-N 3.42Å; A97-L100 PolarHBondContact O-N 3.37Å; L100-W103 PolarHBondContact O-N 3.37Å; L100-H104 PolarHBondContact O-N 2.79Å; L100-H104 PolarHBondContact O-ND1 3.4Å
101F97.1Very high95.2Very high0 Ų049.9 Ų49.90%024%0.242CC..Hα-helixtrans-73.5-31.2-175.9-69.15.9000112C68 L69 L72 M79 C84 A97 D99 W103 H104 N105 A106 V108 V129C68-F101 HydrophobicContact CB-CE1 4.44Å; C68-F101 HydrophobicContact CB-CZ 3.84Å; L69-F101 HydrophobicContact CB-CE1 4.11Å; L72-F101 HydrophobicContact CD1-CE2 4.13Å; L72-F101 HydrophobicContact CD1-CZ 3.98Å; M79-F101 HydrophobicContact CE-CB 4.41Å; M79-F101 HydrophobicContact CE-CD1 4.09Å; M79-F101 HydrophobicContact CE-CG 4.27Å; M79-F101 HydrophobicContact SD-CD1 4.18Å; M79-F101 HydrophobicContact SD-CD2 4.25Å; M79-F101 HydrophobicContact SD-CE1 4.46Å; M79-F101 HydrophobicContact SD-CE2 4.47Å; M79-F101 HydrophobicContact SD-CG 4.08Å; C84-F101 HydrophobicContact CB-CD2 4.39Å; C84-F101 VanDerWaalsContact SG-CD2 3.52Å; A97-F101 VanDerWaalsContact O-CB 3.31Å; A97-F101 WeakPolarHBondContact O-CB 3.47Å; A97-F101 WeakPolarHBondContact O-CD1 3.4Å; A97-F101 WeakPolarHBondContact O-CG 3.4Å; A97-F101 PolarHBondContact O-N 2.91Å; D99-F101 PolarHBondContact O-N 2.82Å; F101-W103 VanDerWaalsContact C-N 3.32Å; F101-W103 PolarHBondContact O-N 3.17Å; F101-H104 CarbonylContact O-C 3.6Å; F101-H104 WeakPolarHBondContact O-CA 2.98Å; F101-H104 PolarHBondContact O-N 3.42Å; F101-H104 VanDerWaalsContact O-N 3.08Å; F101-N105 PolarHBondContact O-N 3.38Å; F101-A106 HydrophobicContact CB-CB 4.23Å; F101-A106 WeakPolarHBondContact O-CB 3.37Å; F101-A106 PolarHBondContact O-N 3.3Å; F101-A106 VanDerWaalsContact O-N 3.11Å; F101-V108 HydrophobicContact CB-CG2 3.93Å; F101-V129 HydrophobicContact CE2-CG2 3.55Å; F101-V129 HydrophobicContact CZ-CG2 4.2Å
102L96.6Very high95.5Very high90 Ų9043.7 Ų43.747%0.47122%0.221SC..Hα-helixtrans-60.4-43.4170.9-175.966.5000111S98 D99 H104 N105 V108S98-L102 WeakPolarHBondContact O-CB 3.33Å; S98-L102 PolarHBondContact O-N 3.15Å; S98-L102 VanDerWaalsContact O-N 3.15Å; D99-L102 PolarHBondContact O-N 3.32Å; L102-H104 PolarHBondContact O-N 3.34Å; L102-N105 PolarHBondContact O-N 2.81Å; L102-V108 HydrophobicContact CB-CG2 4.19Å
103W95.7Very high95.7Very high111 Ų11142.4 Ų42.442%0.4222%0.218SC..THydrogen-bonded Turntrans-69.7-9.7175.4-63.4122000114.4L51 R53 G54 L56 D99 L100 F101L51-W103 PolarHBondContact O-NE1 3.5Å; R53-W103 VanDerWaalsContact C-CZ2 3.45Å; G54-W103 VanDerWaalsContact CA-CZ2 3.43Å; G54-W103 VanDerWaalsContact N-CE2 3.31Å; G54-W103 VanDerWaalsContact N-CZ2 3.29Å; L56-W103 HydrophobicContact CD1-CB 3.87Å; L56-W103 HydrophobicContact CG-CB 4.47Å; D99-W103 PolarHBondContact O-N 3.48Å; L100-W103 PolarHBondContact O-N 3.37Å; F101-W103 VanDerWaalsContact C-N 3.32Å; F101-W103 PolarHBondContact O-N 3.17Å
104H94.4Very high95.7Very high53 Ų5348.6 Ų48.625%0.24525%0.246CC..THydrogen-bonded Turntrans-105.328.5170.9-70.779.9000111.9L69 M79 L100 F101 L102 A106L69-H104 VanDerWaalsContact CD2-CE1 3.47Å; L69-H104 WeakPolarHBondContact CD2-CE1 3.47Å; L69-H104 WeakPolarHBondContact CD2-NE2 3.45Å; M79-H104 HydrophobicContact CE-CB 3.12Å; L100-H104 PolarHBondContact O-N 2.79Å; L100-H104 PolarHBondContact O-ND1 3.4Å; F101-H104 CarbonylContact O-C 3.6Å; F101-H104 WeakPolarHBondContact O-CA 2.98Å; F101-H104 PolarHBondContact O-N 3.42Å; F101-H104 VanDerWaalsContact O-N 3.08Å; L102-H104 PolarHBondContact O-N 3.34Å; H104-A106 PolarHBondContact O-N 3.15Å
105N96Very high95.8Very high118 Ų11850.1 Ų50.163%0.63126%0.256SS*.THydrogen-bonded Turntrans64.316.8172.6-56.2-48.7000115.8A80 G81 F101 L102A80-N105 HydrophobicContact CB-CB 4.06Å; G81-N105 PolarHBondContact N-O 3.39Å; F101-N105 PolarHBondContact O-N 3.38Å; L102-N105 PolarHBondContact O-N 2.81Å
106A97Very high95.9Very high4 Ų452.3 Ų52.33%0.03327%0.269CS..  trans-74.3147.4169.800000110.7M79 C84 F101 H104 V108M79-A106 HydrophobicContact CB-CB 4.33Å; M79-A106 WeakPolarHBondContact O-CA 3.48Å; C84-A106 HydrophobicContact CB-CB 4.24Å; F101-A106 HydrophobicContact CB-CB 4.23Å; F101-A106 WeakPolarHBondContact O-CB 3.37Å; F101-A106 PolarHBondContact O-N 3.3Å; F101-A106 VanDerWaalsContact O-N 3.11Å; H104-A106 PolarHBondContact O-N 3.15Å; A106-V108 HydrophobicContact CB-CG2 3.95Å; A106-V108 PolarHBondContact O-N 2.94Å
107T97.6Very high95.9Very high83 Ų8356.3 Ų56.351%0.50929%0.289SS..EExtended strand (participates in β ladder)trans-81.9112161.1-63.20000107.4K82 H83 C84K82-T107 PolarHBondContact O-N 3.16Å; H83-T107 CarbonylContact C-O 3.52Å; H83-T107 WeakPolarHBondContact CA-O 3.43Å; H83-T107 PolarHBondContact CD2-O 2.77Å; C84-T107 PolarHBondContact N-O 3.13Å
108V97.5Very high95.9Very high33 Ų3356.7 Ų56.720%0.229%0.291CS..EExtended strand (participates in β ladder)trans-104.5128.6-172.5-175.20000111.6C84 V86 F101 L102 A106C84-V108 HydrophobicContact CB-CG2 4.48Å; C84-V108 CarbonylContact O-C 3.47Å; C84-V108 WeakPolarHBondContact O-CA 3.35Å; V86-V108 HydrophobicContact CG2-CG1 4.12Å; F101-V108 HydrophobicContact CB-CG2 3.93Å; L102-V108 HydrophobicContact CB-CG2 4.19Å; A106-V108 HydrophobicContact CB-CG2 3.95Å; A106-V108 PolarHBondContact O-N 2.94Å
109T97.3Very high95.9Very high47 Ų4758.4 Ų58.429%0.28830%0.301SS..EExtended strand (participates in β ladder)trans-112.5114.5167.7-640000109.6H83 C84 V85 V86 I121H83-T109 PolarHBondContact NE2-OG1 2.91Å; C84-T109 PolarHBondContact O-N 2.95Å; V85-T109 WeakPolarHBondContact CA-O 3.3Å; V86-T109 PolarHBondContact N-O 2.81Å; T109-I121 HydrophobicContact CG2-CG2 3.97Å
110T96.3Very high95.9Very high64 Ų6463.5 Ų63.539%0.39332%0.322SS..EExtended strand (participates in β ladder)trans-89.8126.3176.5-52.70000110V86 S98V86-T110 CarbonylContact O-C 3.41Å; V86-T110 WeakPolarHBondContact O-CA 3.14Å; S98-T110 WeakPolarHBondContact CB-OG1 3.41Å; S98-T110 PolarHBondContact OG-OG1 2.98Å
111C96.8Very high95.9Very high3 Ų365.6 Ų65.62%0.0233%0.333CS..EExtended strand (participates in β ladder)trans-119.9167.6177.5-67.40000110.9V86 I87 G88 T115 L118V86-C111 PolarHBondContact O-N 3.14Å; I87-C111 HydrophobicContact CG1-CB 4.33Å; I87-C111 HydrophobicContact CG2-CB 4.49Å; G88-C111 PolarHBondContact N-O 3.4Å; C111-T115 HydrophobicContact CB-CG2 4.27Å; C111-L118 HydrophobicContact CB-CD1 3.49Å; C111-L118 VanDerWaalsContact CB-CD1 3.49Å
112H94.3Very high95.9Very high58 Ų5865.6 Ų65.627%0.26933%0.333SS..  trans-145.3172.4174.656.154000110R89 Q114 T115R89-H112 HydrophobicContact CG-CB 4.34Å; H112-Q114 PolarHBondContact ND1-N 3.14Å; H112-Q114 VanDerWaalsContact ND1-N 3.18Å; H112-Q114 PolarHBondContact O-N 2.88Å; H112-T115 PolarHBondContact N-OG1 2.67Å; H112-T115 PolarHBondContact ND1-N 2.97Å; H112-T115 PolarHBondContact ND1-OG1 3.36Å; H112-T115 VanDerWaalsContact O-CB 3.31Å; H112-T115 WeakPolarHBondContact O-CB 3.48Å; H112-T115 PolarHBondContact O-N 3.25Å; H112-T115 PolarHBondContact O-OG1 3.5Å; H112-T115 VanDerWaalsContact O-OG1 3.1Å
113S92.1Very high95.9Very high45 Ų4566.2 Ų66.232%0.31533%0.329SS..THydrogen-bonded Turntrans-54-26.1-176.4530000115.1
114Q93.2Very high96Very high145 Ų14564 Ų6468%0.67833%0.327SS*.THydrogen-bonded Turntrans-96.38177.5-57-177.717.400114.8H112 K116H112-Q114 PolarHBondContact ND1-N 3.14Å; H112-Q114 VanDerWaalsContact ND1-N 3.18Å; H112-Q114 PolarHBondContact O-N 2.88Å; Q114-K116 PolarHBondContact O-N 3.12Å
115T95.5Very high96.1Very high32 Ų3261.5 Ų61.520%0.19632%0.316CS..  trans-68.2126.3179.3-63.90000109.6C111 H112 L118 I121C111-T115 HydrophobicContact CB-CG2 4.27Å; H112-T115 PolarHBondContact N-OG1 2.67Å; H112-T115 PolarHBondContact ND1-N 2.97Å; H112-T115 PolarHBondContact ND1-OG1 3.36Å; H112-T115 VanDerWaalsContact O-CB 3.31Å; H112-T115 WeakPolarHBondContact O-CB 3.48Å; H112-T115 PolarHBondContact O-N 3.25Å; H112-T115 PolarHBondContact O-OG1 3.5Å; H112-T115 VanDerWaalsContact O-OG1 3.1Å; T115-L118 HydrophobicContact CG2-CD1 4.35Å; T115-I121 HydrophobicContact CG2-CD1 3.59Å
116K96Very high96.2Very high180 Ų18058.3 Ų58.378%0.78330%0.299SS*.THydrogen-bonded Turntrans-68.9142.4177.9-65.4-176.3179.7179.90110.6Q114 L118Q114-K116 PolarHBondContact O-N 3.12Å; K116-L118 PolarHBondContact O-N 2.88Å
117N95.4Very high96.3Very high95 Ų9558.1 Ų58.151%0.50830%0.297SS..THydrogen-bonded Turntrans56.335.5-178.8-50.1-66.6000113.3D119 K120 I121N117-D119 PolarHBondContact O-N 2.98Å; N117-K120 HydrophobicContact CB-CB 4.24Å; N117-K120 HydrophobicContact CB-CD 4.17Å; N117-K120 HydrophobicContact CB-CG 4.34Å; N117-K120 PolarHBondContact O-N 3.44Å; N117-I121 PolarHBondContact O-N 3.26Å; N117-I121 VanDerWaalsContact O-N 3.13Å
118L95.5Very high96.3Very high8 Ų854.1 Ų54.14%0.04227%0.273CS..Hα-helixtrans-55.4-38.3-177-174.956.6000112I87 C111 T115 K116 K120 I121 C122 M137 W142I87-L118 HydrophobicContact CD1-CD1 4.15Å; I87-L118 HydrophobicContact CD1-CD2 4.37Å; I87-L118 HydrophobicContact CD1-CG 4.38Å; I87-L118 HydrophobicContact CG1-CD1 4.29Å; I87-L118 HydrophobicContact CG2-CD2 4.16Å; C111-L118 HydrophobicContact CB-CD1 3.49Å; C111-L118 VanDerWaalsContact CB-CD1 3.49Å; T115-L118 HydrophobicContact CG2-CD1 4.35Å; K116-L118 PolarHBondContact O-N 2.88Å; L118-K120 VanDerWaalsContact C-N 3.32Å; L118-K120 PolarHBondContact O-N 3.25Å; L118-I121 PolarHBondContact O-N 2.67Å; L118-C122 PolarHBondContact O-N 3.17Å; L118-C122 PolarHBondContact O-SG 3.38Å; L118-M137 HydrophobicContact CD2-CE 3.62Å; L118-W142 HydrophobicContact CB-CZ3 4.18Å; L118-W142 HydrophobicContact CD2-CZ3 4.01Å; L118-W142 HydrophobicContact CG-CZ3 3.91Å
119D96Very high96.3Very high41 Ų4152.6 Ų52.622%0.21926%0.263CS..Hα-helixtrans-56-44174.270-59.5000112.5N117 C122 R123 W142N117-D119 PolarHBondContact O-N 2.98Å; D119-C122 PolarHBondContact O-N 3.42Å; D119-R123 WeakPolarHBondContact O-CG 3.28Å; D119-R123 PolarHBondContact O-N 2.67Å; D119-R123 VanDerWaalsContact O-N 3.15Å; D119-R123 IonicContact OD2-CZ 2.92Å; D119-R123 IonicContact OD2-NH1 2.58Å; D119-R123 PolarHBondContact OD2-NH1 3.02Å; D119-R123 IonicContact OD2-NH2 3.86Å; D119-W142 HydrophobicContact CB-CB 4.49Å; D119-W142 HydrophobicContact CB-CD2 3.54Å; D119-W142 HydrophobicContact CB-CE3 4.08Å; D119-W142 HydrophobicContact CB-CG 3.73Å; D119-W142 HydrophobicContact CB-CZ2 4.1Å
120K97Very high96.3Very high124 Ų12450.3 Ų50.354%0.53925%0.25SC..Hα-helixtrans-69.5-36.4179.1-62.1-175.7-176.2169.80111.9N117 L118 R123N117-K120 HydrophobicContact CB-CB 4.24Å; N117-K120 HydrophobicContact CB-CD 4.17Å; N117-K120 HydrophobicContact CB-CG 4.34Å; N117-K120 PolarHBondContact O-N 3.44Å; L118-K120 VanDerWaalsContact C-N 3.32Å; L118-K120 PolarHBondContact O-N 3.25Å; K120-R123 PolarHBondContact O-N 2.98Å
121I97.2Very high96.2Very high44 Ų4448 Ų4823%0.22624%0.237CC..Hα-helixtrans-68.8-42.5176.5-59.8168.9000110.1V85 T109 T115 N117 L118 R123 T124V85-I121 HydrophobicContact CG1-CG2 4.08Å; V85-I121 HydrophobicContact CG2-CG2 4Å; T109-I121 HydrophobicContact CG2-CG2 3.97Å; T115-I121 HydrophobicContact CG2-CD1 3.59Å; N117-I121 PolarHBondContact O-N 3.26Å; N117-I121 VanDerWaalsContact O-N 3.13Å; L118-I121 PolarHBondContact O-N 2.67Å; I121-R123 PolarHBondContact O-N 3.38Å; I121-T124 PolarHBondContact O-N 2.79Å; I121-T124 PolarHBondContact O-OG1 2.81Å
122C96.9Very high96Very high0 Ų049.2 Ų49.20%024%0.244CC..Hα-helixtrans-58.2-37175.4-64.70000111.6I87 L118 D119 T124 A125 L128 W142I87-C122 VanDerWaalsContact CD1-SG 3.53Å; L118-C122 PolarHBondContact O-N 3.17Å; L118-C122 PolarHBondContact O-SG 3.38Å; D119-C122 PolarHBondContact O-N 3.42Å; C122-T124 PolarHBondContact O-N 3.49Å; C122-T124 VanDerWaalsContact O-N 3.16Å; C122-A125 WeakPolarHBondContact O-CB 3.46Å; C122-A125 PolarHBondContact O-N 2.84Å; C122-A125 VanDerWaalsContact O-N 3.15Å; C122-L128 HydrophobicContact CB-CD2 4.45Å; C122-W142 CarbonylContact C-O 3.55Å; C122-W142 HydrophobicContact CB-CB 4Å; C122-W142 WeakPolarHBondContact CB-O 3.47Å
123R96.9Very high95.8Very high103 Ų10348.8 Ų48.839%0.38926%0.255SS..THydrogen-bonded Turntrans-66.8-11177.5-72.1-176.9-164.9112.94.3114.2D119 K120 I121 S141 W142 K144D119-R123 WeakPolarHBondContact O-CG 3.28Å; D119-R123 PolarHBondContact O-N 2.67Å; D119-R123 VanDerWaalsContact O-N 3.15Å; D119-R123 IonicContact OD2-CZ 2.92Å; D119-R123 IonicContact OD2-NH1 2.58Å; D119-R123 PolarHBondContact OD2-NH1 3.02Å; D119-R123 IonicContact OD2-NH2 3.86Å; K120-R123 PolarHBondContact O-N 2.98Å; I121-R123 PolarHBondContact O-N 3.38Å; R123-S141 PolarHBondContact NE-O 3.37Å; R123-S141 PolarHBondContact NH2-O 3.26Å; R123-W142 WeakPolarHBondContact CA-O 3.46Å; R123-W142 WeakPolarHBondContact CG-O 3.46Å; R123-W142 PolarHBondContact N-O 3.11Å; R123-K144 WeakPolarHBondContact O-CB 3.39Å
124T96.9Very high95.8Very high64 Ų6450.8 Ų50.839%0.39326%0.259SS..THydrogen-bonded Turntrans-92.7-19.7174.5700000112.7H83 I121 C122 D126 K144H83-T124 PolarHBondContact CE1-OG1 3.15Å; H83-T124 PolarHBondContact ND1-OG1 3.05Å; I121-T124 PolarHBondContact O-N 2.79Å; I121-T124 PolarHBondContact O-OG1 2.81Å; C122-T124 PolarHBondContact O-N 3.49Å; C122-T124 VanDerWaalsContact O-N 3.16Å; T124-D126 PolarHBondContact O-N 3.42Å; T124-K144 PolarHBondContact O-NZ 2.75Å
125A97.5Very high95.7Very high0 Ų044.8 Ų44.80%024%0.235CC..  trans-64.2125.6-171.800000112.5H83 V85 C122 L128 K144 T147H83-A125 CarbonylContact O-C 3.46Å; H83-A125 WeakPolarHBondContact O-CA 3.38Å; V85-A125 HydrophobicContact CB-CB 3.76Å; V85-A125 HydrophobicContact CG2-CB 3.56Å; C122-A125 WeakPolarHBondContact O-CB 3.46Å; C122-A125 PolarHBondContact O-N 2.84Å; C122-A125 VanDerWaalsContact O-N 3.15Å; A125-L128 HydrophobicContact CB-CB 4.2Å; A125-L128 HydrophobicContact CB-CD1 4.32Å; A125-K144 WeakPolarHBondContact O-CD 3.41Å; A125-K144 WeakPolarHBondContact O-CE 3.39Å; A125-K144 PolarHBondContact O-NZ 3.44Å; A125-T147 HydrophobicContact CB-CG2 4.45Å; A125-T147 WeakPolarHBondContact O-CG2 3.22Å; A125-T147 PolarHBondContact O-OG1 3.29Å
126D97.6Very high95.6Very high51 Ų5145.9 Ų45.927%0.27324%0.239SC..SBendtrans-72.6-35.9160.9-64.2-61000110.9K82 H83 T124 K144 V148K82-D126 HydrophobicContact CB-CB 3.98Å; K82-D126 HydrophobicContact CD-CB 4.05Å; K82-D126 HydrophobicContact CG-CB 4.28Å; H83-D126 PolarHBondContact N-OD2 2.84Å; H83-D126 PolarHBondContact O-N 3.24Å; T124-D126 PolarHBondContact O-N 3.42Å; D126-K144 WeakPolarHBondContact OD1-CE 3.41Å; D126-K144 IonicContact OD1-NZ 3.57Å; D126-K144 PolarHBondContact OD1-NZ 2.76Å; D126-K144 IonicContact OD2-NZ 2.87Å; D126-V148 PolarHBondContact O-N 3.06Å
127I97.9Very high95.5Very high0 Ų039.1 Ų39.10%021%0.211CC..EExtended strand (participates in β ladder)trans-130.9123.8179.7-58166.1000107.4L72 V77 M79 K82 H83 C84 V85 V129 V148L72-I127 HydrophobicContact CD1-CD1 4.22Å; L72-I127 HydrophobicContact CD1-CG2 4.1Å; L72-I127 HydrophobicContact CD2-CD1 4.22Å; L72-I127 HydrophobicContact CD2-CG1 4.34Å; L72-I127 HydrophobicContact CD2-CG2 4Å; V77-I127 HydrophobicContact CG1-CD1 3.86Å; V77-I127 HydrophobicContact CG1-CG1 4.33Å; M79-I127 HydrophobicContact CG-CD1 3.9Å; M79-I127 HydrophobicContact SD-CD1 4.38Å; K82-I127 HydrophobicContact CB-CD1 4.35Å; K82-I127 HydrophobicContact CD-CD1 4.07Å; K82-I127 HydrophobicContact CD-CG1 4.42Å; H83-I127 PolarHBondContact O-N 3.43Å; C84-I127 CarbonylContact C-O 3.57Å; C84-I127 VanDerWaalsContact CA-O 3.27Å; C84-I127 WeakPolarHBondContact CA-O 3.47Å; C84-I127 HydrophobicContact CB-CB 4.28Å; C84-I127 PolarHBondContact SG-O 2.81Å; V85-I127 PolarHBondContact N-O 3.36Å; I127-V129 HydrophobicContact CG2-CG2 4.49Å; I127-V148 CarbonylContact C-O 3.46Å; I127-V148 WeakPolarHBondContact CA-O 3.23Å
128L98Very high95.5Very high0 Ų034.6 Ų34.60%019%0.187CC..EExtended strand (participates in β ladder)trans-116.2113.7179.4-17666.9000109.9V85 I87 C122 A125 V130 V138 L143 T147 V148 V149 I150V85-L128 HydrophobicContact CB-CD1 3.72Å; V85-L128 HydrophobicContact CG1-CD1 3.71Å; V85-L128 CarbonylContact O-C 3.57Å; V85-L128 WeakPolarHBondContact O-CA 3.34Å; I87-L128 HydrophobicContact CD1-CD1 4.04Å; I87-L128 HydrophobicContact CG1-CD1 4.1Å; C122-L128 HydrophobicContact CB-CD2 4.45Å; A125-L128 HydrophobicContact CB-CB 4.2Å; A125-L128 HydrophobicContact CB-CD1 4.32Å; L128-V130 HydrophobicContact CD1-CG2 4.46Å; L128-V130 HydrophobicContact CD2-CG2 4.02Å; L128-V130 HydrophobicContact CG-CG2 3.79Å; L128-V138 HydrophobicContact CD2-CG1 4.03Å; L128-L143 HydrophobicContact CD2-CD2 3.35Å; L128-T147 HydrophobicContact CB-CG2 4.01Å; L128-V148 PolarHBondContact N-O 3.1Å; L128-V149 HydrophobicContact CB-CG2 4.42Å; L128-V149 CarbonylContact O-C 3.57Å; L128-V149 WeakPolarHBondContact O-CA 3.27Å; L128-I150 PolarHBondContact O-N 3.47Å
129V97.6Very high95.5Very high0 Ų037.4 Ų37.40%020%0.199CC..EExtended strand (participates in β ladder)trans-102.5125.4172-175.90000109V85 V86 I87 F101 I127 I150V85-V129 PolarHBondContact O-N 2.63Å; V86-V129 CarbonylContact C-O 3.59Å; V86-V129 WeakPolarHBondContact CA-O 3.36Å; V86-V129 HydrophobicContact CG1-CB 4.33Å; V86-V129 HydrophobicContact CG2-CB 4.23Å; V86-V129 HydrophobicContact CG2-CG2 4.5Å; I87-V129 PolarHBondContact N-O 3.24Å; F101-V129 HydrophobicContact CE2-CG2 3.55Å; F101-V129 HydrophobicContact CZ-CG2 4.2Å; I127-V129 HydrophobicContact CG2-CG2 4.49Å; V129-I150 CarbonylContact C-O 3.56Å; V129-I150 WeakPolarHBondContact CA-O 3.45Å; V129-I150 HydrophobicContact CG2-CB 4.32Å
130V97.1Very high95.5Very high0 Ų035.5 Ų35.50%019%0.189CC..EExtended strand (participates in β ladder)trans-119.7120.9-176.2-166.20000109.9I87 L128 V132 V138 I150 C152 G153 D167 V168I87-V130 HydrophobicContact CB-CG1 4.32Å; I87-V130 HydrophobicContact CD1-CG1 4.42Å; I87-V130 HydrophobicContact CD1-CG2 4.25Å; L128-V130 HydrophobicContact CD1-CG2 4.46Å; L128-V130 HydrophobicContact CD2-CG2 4.02Å; L128-V130 HydrophobicContact CG-CG2 3.79Å; V130-V132 HydrophobicContact CG1-CG1 4.23Å; V130-V138 HydrophobicContact CG1-CG2 3.81Å; V130-V138 HydrophobicContact CG2-CG2 4.16Å; V130-I150 PolarHBondContact N-O 2.81Å; V130-C152 WeakPolarHBondContact O-CA 3.26Å; V130-C152 WeakPolarHBondContact O-CB 3.37Å; V130-C152 PolarHBondContact O-N 2.95Å; V130-G153 PolarHBondContact O-N 2.88Å; V130-D167 HydrophobicContact CB-CB 4.29Å; V130-D167 HydrophobicContact CG1-CB 3.41Å; V130-D167 VanDerWaalsContact CG1-CB 3.41Å; V130-V168 HydrophobicContact CB-CG2 3.88Å; V130-V168 HydrophobicContact CG1-CG2 4.23Å; V130-V168 HydrophobicContact CG2-CG2 3.62Å
131A94.6Very high95.4Very high15 Ų1532.6 Ų32.612%0.12418%0.184CC..  trans-15053.8-177.600000109.7I87 G88 V93 C152 D167I87-A131 CarbonylContact O-C 3.42Å; I87-A131 VanDerWaalsContact O-C 3.27Å; I87-A131 WeakPolarHBondContact O-CA 3.23Å; I87-A131 PolarHBondContact O-N 3.25Å; G88-A131 WeakPolarHBondContact CA-O 3.27Å; V93-A131 HydrophobicContact CB-CB 3.89Å; V93-A131 HydrophobicContact CG1-CB 3.73Å; A131-C152 HydrophobicContact CB-CB 4.02Å; A131-D167 WeakPolarHBondContact CA-OD2 3.24Å
132V93.2Very high95.4Very high29 Ų2933 Ų3318%0.17618%0.183CC..SBendtrans-97.9-21-174.772.80000112.6I87 V130 Q134 M137 D167I87-V132 HydrophobicContact CG2-CB 4.09Å; I87-V132 HydrophobicContact CG2-CG2 4.25Å; I87-V132 PolarHBondContact O-N 2.86Å; V130-V132 HydrophobicContact CG1-CG1 4.23Å; V132-Q134 HydrophobicContact CG1-CB 4.07Å; V132-Q134 HydrophobicContact CG1-CG 4.41Å; V132-M137 HydrophobicContact CB-SD 4.49Å; V132-M137 HydrophobicContact CG1-SD 3.76Å; V132-M137 HydrophobicContact CG2-SD 4.05Å; V132-D167 HydrophobicContact CG1-CB 3.95Å; V132-D167 PolarHBondContact N-OD2 2.88Å
133G90.7Very high95.4Very high48 Ų4833.5 Ų33.550%0.49519%0.186SC..  trans7142.7-179.800000112.8N155 D167G133-N155 PolarHBondContact O-OD1 3.13Å; G133-D167 WeakPolarHBondContact CA-OD1 3.44Å; G133-D167 PolarHBondContact N-OD1 2.68Å; G133-D167 VanDerWaalsContact N-OD1 3.17Å; G133-D167 PolarHBondContact N-OD2 2.98Å
134Q91.3Very high95.4Very high87 Ų8731.3 Ų31.341%0.40718%0.179SC..  trans-138.6112.8177.2-62.8-171.910.400109.5V132 N136 M137 N155 D167V132-Q134 HydrophobicContact CG1-CB 4.07Å; V132-Q134 HydrophobicContact CG1-CG 4.41Å; Q134-N136 PolarHBondContact O-N 3.02Å; Q134-M137 HydrophobicContact CB-CB 3.97Å; Q134-M137 HydrophobicContact CB-SD 4.31Å; Q134-M137 WeakPolarHBondContact O-CB 3.41Å; Q134-M137 PolarHBondContact O-N 3.2Å; Q134-M137 PolarHBondContact OE1-SD 3.45Å; Q134-N155 PolarHBondContact N-OD1 2.87Å; Q134-D167 PolarHBondContact N-OD1 2.91Å; Q134-D167 WeakPolarHBondContact O-CA 3.34Å
135A92Very high95.3Very high20 Ų2033.7 Ų33.717%0.16520%0.196CC..THydrogen-bonded Turntrans-52126.4-176.700000112.4M137 N155A135-M137 PolarHBondContact O-N 3.05Å; A135-N155 HydrophobicContact CB-CB 3.8Å; A135-N155 PolarHBondContact N-ND2 2.84Å
136N92.6Very high95.1Very high54 Ų5435.9 Ų35.929%0.28922%0.218SC..THydrogen-bonded Turntrans52.526.4173.9-54-60.6000115.4Q134 K139 G166 D167 D169Q134-N136 PolarHBondContact O-N 3.02Å; N136-K139 VanDerWaalsContact O-CE 3.22Å; N136-K139 WeakPolarHBondContact O-CE 3.36Å; N136-K139 PolarHBondContact O-NZ 3.48Å; N136-G166 PolarHBondContact N-O 2.81Å; N136-G166 VanDerWaalsContact N-O 3.08Å; N136-D167 CarbonylContact C-O 3.23Å; N136-D169 HydrophobicContact CB-CB 4.39Å
137M93.7Very high95.1Very high39 Ų3933.4 Ų33.419%0.19221%0.205CC..  trans-62.6-44.8-179.5-177.9-169.9175.600112L118 V132 Q134 A135 D167L118-M137 HydrophobicContact CD2-CE 3.62Å; V132-M137 HydrophobicContact CB-SD 4.49Å; V132-M137 HydrophobicContact CG1-SD 3.76Å; V132-M137 HydrophobicContact CG2-SD 4.05Å; Q134-M137 HydrophobicContact CB-CB 3.97Å; Q134-M137 HydrophobicContact CB-SD 4.31Å; Q134-M137 WeakPolarHBondContact O-CB 3.41Å; Q134-M137 PolarHBondContact O-N 3.2Å; Q134-M137 PolarHBondContact OE1-SD 3.45Å; A135-M137 PolarHBondContact O-N 3.05Å; M137-D167 PolarHBondContact N-O 3.4Å
138V96Very high95.1Very high0 Ų033.8 Ų33.80%021%0.207CC..BIsolated β-bridgetrans-85.9119.4-178.5178.70000109.3I87 L128 V130 W142 L143 D167 V168 D169I87-V138 HydrophobicContact CD1-CG2 3.72Å; L128-V138 HydrophobicContact CD2-CG1 4.03Å; V130-V138 HydrophobicContact CG1-CG2 3.81Å; V130-V138 HydrophobicContact CG2-CG2 4.16Å; V138-W142 HydrophobicContact CG1-CE3 4.38Å; V138-L143 HydrophobicContact CG1-CD2 4.27Å; V138-D167 PolarHBondContact N-O 2.88Å; V138-V168 HydrophobicContact CB-CB 4.45Å; V138-V168 HydrophobicContact CB-CG1 4.35Å; V138-V168 HydrophobicContact CB-CG2 4.1Å; V138-V168 HydrophobicContact CG1-CG1 4.34Å; V138-V168 HydrophobicContact CG1-CG2 4.45Å; V138-D169 PolarHBondContact O-N 3.02Å
139K95.8Very high95.1Very high66 Ų6633.9 Ų33.929%0.28721%0.207SC..  trans-93.1152.2-179.5-61.8-47.6-169.6-1740111.8N136 S141 W142 D169 E172N136-K139 VanDerWaalsContact O-CE 3.22Å; N136-K139 WeakPolarHBondContact O-CE 3.36Å; N136-K139 PolarHBondContact O-NZ 3.48Å; K139-S141 PolarHBondContact O-N 3.19Å; K139-W142 HydrophobicContact CB-CG 4.34Å; K139-W142 VanDerWaalsContact O-CB 3.24Å; K139-W142 WeakPolarHBondContact O-CB 3.4Å; K139-W142 PolarHBondContact O-N 3.09Å; K139-D169 HydrophobicContact CD-CB 3.88Å; K139-D169 IonicContact NZ-OD2 3.37Å; K139-D169 PolarHBondContact NZ-OD2 2.99Å; K139-E172 WeakPolarHBondContact CA-OE2 3.26Å; K139-E172 VanDerWaalsContact CB-OE2 3.27Å; K139-E172 WeakPolarHBondContact CB-OE2 3.25Å
140G94.6Very high95.1Very high1 Ų134 Ų341%0.0121%0.208CC..G310 helixtrans-58.8-32.6176.700000113.2W142 L143 E172G140-W142 PolarHBondContact O-N 2.87Å; G140-W142 VanDerWaalsContact O-N 3.12Å; G140-L143 WeakPolarHBondContact O-CB 3.27Å; G140-L143 PolarHBondContact O-N 3.16Å; G140-E172 PolarHBondContact N-OE1 2.8Å; G140-E172 PolarHBondContact N-OE2 2.93Å
141S96Very high95.1Very high64 Ų6434.1 Ų34.145%0.44821%0.209SC..G310 helixtrans-63.4-9.5171.7570000115.2R123 K139 E172R123-S141 PolarHBondContact NE-O 3.37Å; R123-S141 PolarHBondContact NH2-O 3.26Å; K139-S141 PolarHBondContact O-N 3.19Å; S141-E172 WeakPolarHBondContact CB-OE1 3.39Å; S141-E172 PolarHBondContact N-OE1 3.28Å; S141-E172 PolarHBondContact OG-OE1 2.78Å
142W96.9Very high95.1Very high53 Ų5334.8 Ų34.820%0.20121%0.212CC..G310 helixtrans-92.8-6174.4-62.420.1000112.2L118 D119 C122 R123 V138 K139 G140L118-W142 HydrophobicContact CB-CZ3 4.18Å; L118-W142 HydrophobicContact CD2-CZ3 4.01Å; L118-W142 HydrophobicContact CG-CZ3 3.91Å; D119-W142 HydrophobicContact CB-CB 4.49Å; D119-W142 HydrophobicContact CB-CD2 3.54Å; D119-W142 HydrophobicContact CB-CE3 4.08Å; D119-W142 HydrophobicContact CB-CG 3.73Å; D119-W142 HydrophobicContact CB-CZ2 4.1Å; C122-W142 CarbonylContact C-O 3.55Å; C122-W142 HydrophobicContact CB-CB 4Å; C122-W142 WeakPolarHBondContact CB-O 3.47Å; R123-W142 WeakPolarHBondContact CA-O 3.46Å; R123-W142 WeakPolarHBondContact CG-O 3.46Å; R123-W142 PolarHBondContact N-O 3.11Å; V138-W142 HydrophobicContact CG1-CE3 4.38Å; K139-W142 HydrophobicContact CB-CG 4.34Å; K139-W142 VanDerWaalsContact O-CB 3.24Å; K139-W142 WeakPolarHBondContact O-CB 3.4Å; K139-W142 PolarHBondContact O-N 3.09Å; G140-W142 PolarHBondContact O-N 2.87Å; G140-W142 VanDerWaalsContact O-N 3.12Å
143L97.4Very high94.9Very high10 Ų1033.7 Ų33.75%0.05221%0.207CC..SBendtrans-97.2145.3-177.1-51.1-180000110.4L128 V138 G140 V149 A173 V176 A177L128-L143 HydrophobicContact CD2-CD2 3.35Å; V138-L143 HydrophobicContact CG1-CD2 4.27Å; G140-L143 WeakPolarHBondContact O-CB 3.27Å; G140-L143 PolarHBondContact O-N 3.16Å; L143-V149 HydrophobicContact CD1-CG2 3.8Å; L143-V149 HydrophobicContact CD2-CG2 4.01Å; L143-A173 HydrophobicContact CD1-CB 3.57Å; L143-V176 HydrophobicContact CB-CB 4.34Å; L143-V176 HydrophobicContact CB-CG1 3.88Å; L143-A177 HydrophobicContact CD1-CB 4.35Å
144K95.5Very high94.8Very high56 Ų5637.6 Ų37.624%0.24321%0.214CC..PPolyproline II helixtrans-80.6147.6163.364.8-179.2-162.3-156.50110.3R123 T124 A125 D126 G146 T147R123-K144 WeakPolarHBondContact O-CB 3.39Å; T124-K144 PolarHBondContact O-NZ 2.75Å; A125-K144 WeakPolarHBondContact O-CD 3.41Å; A125-K144 WeakPolarHBondContact O-CE 3.39Å; A125-K144 PolarHBondContact O-NZ 3.44Å; D126-K144 WeakPolarHBondContact OD1-CE 3.41Å; D126-K144 IonicContact OD1-NZ 3.57Å; D126-K144 PolarHBondContact OD1-NZ 2.76Å; D126-K144 IonicContact OD2-NZ 2.87Å; K144-G146 PolarHBondContact O-N 2.78Å; K144-T147 WeakPolarHBondContact CG-OG1 3.37Å; K144-T147 PolarHBondContact N-OG1 3.31Å; K144-T147 WeakPolarHBondContact O-CB 3.47Å; K144-T147 PolarHBondContact O-N 2.91Å; K144-T147 VanDerWaalsContact O-N 3.15Å; K144-T147 PolarHBondContact O-OG1 3.02Å
145P96Very high94.7Very high115 Ų11534.8 Ų34.875%0.74720%0.201SC*.THydrogen-bonded Turntrans-52.1129.4172.1-27.135.7000111.4
146G93.6Very high94.4Very high45 Ų4536.7 Ų36.746%0.46422%0.218SC..THydrogen-bonded Turntrans87.9-0.3178.900000116K144 V176 S178K144-G146 PolarHBondContact O-N 2.78Å; G146-V176 PolarHBondContact N-O 3.13Å; G146-V176 VanDerWaalsContact N-O 3.07Å; G146-S178 WeakPolarHBondContact O-CB 3.46Å; G146-S178 PolarHBondContact O-OG 2.88Å
147T97.1Very high93.8Very high0 Ų035 Ų350%021%0.211CC..  trans-57.1141.5173.6-51.90000111.3A125 L128 K144 V149 A177 S178A125-T147 HydrophobicContact CB-CG2 4.45Å; A125-T147 WeakPolarHBondContact O-CG2 3.22Å; A125-T147 PolarHBondContact O-OG1 3.29Å; L128-T147 HydrophobicContact CB-CG2 4.01Å; K144-T147 WeakPolarHBondContact CG-OG1 3.37Å; K144-T147 PolarHBondContact N-OG1 3.31Å; K144-T147 WeakPolarHBondContact O-CB 3.47Å; K144-T147 PolarHBondContact O-N 2.91Å; K144-T147 VanDerWaalsContact O-N 3.15Å; K144-T147 PolarHBondContact O-OG1 3.02Å; T147-V149 HydrophobicContact CG2-CG2 4.12Å; T147-A177 CarbonylContact O-C 3.58Å; T147-A177 WeakPolarHBondContact O-CA 3.11Å; T147-A177 VanDerWaalsContact O-CB 3.3Å; T147-A177 WeakPolarHBondContact O-CB 3.49Å; T147-S178 PolarHBondContact O-N 3.01Å; T147-S178 PolarHBondContact O-OG 2.87Å
148V97.8Very high92.9Very high8 Ų840.2 Ų40.25%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-92123.8166.8176.60000109L72 I75 V77 D126 I127 L128 S178 F179L72-V148 HydrophobicContact CD2-CB 4.47Å; L72-V148 HydrophobicContact CD2-CG1 3.7Å; I75-V148 HydrophobicContact CD1-CG1 3.95Å; I75-V148 HydrophobicContact CD1-CG2 4.3Å; V77-V148 HydrophobicContact CG2-CG2 4.09Å; D126-V148 PolarHBondContact O-N 3.06Å; I127-V148 CarbonylContact C-O 3.46Å; I127-V148 WeakPolarHBondContact CA-O 3.23Å; L128-V148 PolarHBondContact N-O 3.1Å; V148-S178 WeakPolarHBondContact CG2-OG 3.24Å; V148-F179 HydrophobicContact CG1-CB 4.17Å; V148-F179 HydrophobicContact CG2-CB 4.47Å; V148-F179 HydrophobicContact CG2-CD2 4.3Å
149V97.8Very high92.1Very high1 Ų145.9 Ų45.91%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-112.8124.8-176.7-176.40000110.6L128 L143 T147 V168 A177 F179 I180 T181L128-V149 HydrophobicContact CB-CG2 4.42Å; L128-V149 CarbonylContact O-C 3.57Å; L128-V149 WeakPolarHBondContact O-CA 3.27Å; L143-V149 HydrophobicContact CD1-CG2 3.8Å; L143-V149 HydrophobicContact CD2-CG2 4.01Å; T147-V149 HydrophobicContact CG2-CG2 4.12Å; V149-V168 HydrophobicContact CG1-CG1 4.27Å; V149-V168 HydrophobicContact CG1-CG2 3.92Å; V149-A177 HydrophobicContact CB-CB 4.49Å; V149-A177 HydrophobicContact CG2-CB 3.81Å; V149-F179 PolarHBondContact N-O 2.97Å; V149-I180 HydrophobicContact CB-CB 4.26Å; V149-I180 HydrophobicContact CB-CD1 4.29Å; V149-I180 HydrophobicContact CB-CG1 4.05Å; V149-I180 HydrophobicContact CG1-CD1 4.16Å; V149-I180 HydrophobicContact CG1-CG1 4.18Å; V149-I180 VanDerWaalsContact O-CA 3.28Å; V149-I180 WeakPolarHBondContact O-CA 3.01Å; V149-T181 PolarHBondContact O-N 3.48Å; V149-T181 VanDerWaalsContact O-N 3.16Å
150I97.6Very high91.1Very high3 Ų346.2 Ų46.22%0.01529%0.292CS..EExtended strand (participates in β ladder)trans-117.2101.7175.3-57.9178.6000108.1C68 L72 L128 V129 V130 T181 V187C68-I150 HydrophobicContact CB-CD1 4.1Å; C68-I150 HydrophobicContact CB-CG2 4.22Å; L72-I150 HydrophobicContact CD1-CD1 4.12Å; L72-I150 HydrophobicContact CD2-CD1 3.86Å; L72-I150 HydrophobicContact CG-CD1 3.76Å; L128-I150 PolarHBondContact O-N 3.47Å; V129-I150 CarbonylContact C-O 3.56Å; V129-I150 WeakPolarHBondContact CA-O 3.45Å; V129-I150 HydrophobicContact CG2-CB 4.32Å; V130-I150 PolarHBondContact N-O 2.81Å; I150-T181 HydrophobicContact CB-CG2 4.45Å; I150-T181 HydrophobicContact CG1-CG2 4.38Å; I150-T181 HydrophobicContact CG2-CG2 4.13Å; I150-V187 HydrophobicContact CG2-CG2 3.57Å
151D96.8Very high90.4Very high3 Ų349.6 Ų49.62%0.01632%0.315CS..EExtended strand (participates in β ladder)trans-88.5106.8176-165.4-11.4000110G153 G166 D167 V168 T181 V183 V187D151-G153 PolarHBondContact OD1-N 3.43Å; D151-G166 WeakPolarHBondContact OD2-CA 3.48Å; D151-D167 PolarHBondContact OD1-N 3.31Å; D151-D167 PolarHBondContact OD2-N 2.83Å; D151-V168 HydrophobicContact CB-CB 4.39Å; D151-V168 HydrophobicContact CB-CG2 3.96Å; D151-V168 VanDerWaalsContact OD2-CB 3.32Å; D151-V168 WeakPolarHBondContact OD2-CB 3.36Å; D151-V168 WeakPolarHBondContact OD2-CG2 3.38Å; D151-V168 PolarHBondContact OD2-N 3.32Å; D151-T181 PolarHBondContact N-OG1 3.49Å; D151-T181 PolarHBondContact O-OG1 2.95Å; D151-V183 HydrophobicContact CB-CG2 3.94Å; D151-V187 WeakPolarHBondContact O-CG2 3.39Å
152C94.5Very high89.7Confident28 Ų2849 Ų4919%0.18932%0.32CS..  trans-95.5-5.6175.7-54.60000111.9V93 V130 A131V93-C152 HydrophobicContact CG1-CB 3.94Å; V130-C152 WeakPolarHBondContact O-CA 3.26Å; V130-C152 WeakPolarHBondContact O-CB 3.37Å; V130-C152 PolarHBondContact O-N 2.95Å; A131-C152 HydrophobicContact CB-CB 4.02Å
153G90Very high89.2Confident7 Ų753.8 Ų53.87%0.07234%0.342CS..  trans-70.7148.4178.600000111.5V130 D151 D167 V183V130-G153 PolarHBondContact O-N 2.88Å; D151-G153 PolarHBondContact OD1-N 3.43Å; G153-D167 WeakPolarHBondContact CA-OD2 3.43Å; G153-V183 VanDerWaalsContact O-CG1 3.31Å; G153-V183 WeakPolarHBondContact O-CG1 3.44Å
154M89Confident88.9Confident130 Ų13057 Ų5764%0.6436%0.358SS*.  trans-144.2113.2170.7-173.1169.160.500108.4L164 V183M154-L164 HydrophobicContact CG-CD1 4.48Å; M154-L164 HydrophobicContact CG-CD2 4.29Å; M154-L164 HydrophobicContact SD-CD1 4.13Å; M154-V183 HydrophobicContact CB-CG1 4.45Å; M154-V183 HydrophobicContact CG-CG1 4.4Å
155N88.7Confident88.7Confident27 Ų2755.1 Ų55.114%0.14435%0.353CS..EExtended strand (participates in β ladder)trans-127.9151.8-175.1-53.8-78.4000109.1G133 Q134 A135 L164 C165 D167G133-N155 PolarHBondContact O-OD1 3.13Å; Q134-N155 PolarHBondContact N-OD1 2.87Å; A135-N155 HydrophobicContact CB-CB 3.8Å; A135-N155 PolarHBondContact N-ND2 2.84Å; N155-L164 CarbonylContact O-C 3.34Å; N155-L164 VanDerWaalsContact O-CA 3.31Å; N155-L164 WeakPolarHBondContact O-CA 3.32Å; N155-C165 PolarHBondContact N-O 3.04Å; N155-C165 PolarHBondContact O-N 3.29Å; N155-D167 PolarHBondContact ND2-OD1 2.81Å
156A85Confident88.5Confident61 Ų6149.9 Ų49.950%0.50432%0.32SS..EExtended strand (participates in β ladder)trans-76.9136.3162.100000108.4D158A156-D158 PolarHBondContact O-N 2.99Å
157A79.1Confident88.6Confident18 Ų1847.8 Ų47.815%0.14930%0.297CS..  trans-59.6136.9176.800000111D159 G160 K163A157-D159 VanDerWaalsContact CB-OD1 3.27Å; A157-D159 WeakPolarHBondContact CB-OD1 3.22Å; A157-D159 PolarHBondContact O-N 3.4Å; A157-D159 VanDerWaalsContact O-N 3.08Å; A157-G160 PolarHBondContact O-N 3.5Å; A157-K163 HydrophobicContact CB-CB 4.41Å; A157-K163 VanDerWaalsContact CB-O 3.23Å; A157-K163 WeakPolarHBondContact CB-O 3.31Å; A157-K163 PolarHBondContact N-O 2.96Å
158D76.4Confident88.6Confident149 Ų14947.8 Ų47.880%0.79730%0.298SS*.THydrogen-bonded Turntrans-66.1-9.7-178.8-63.1-34.9000113.4A156 G160A156-D158 PolarHBondContact O-N 2.99Å; D158-G160 PolarHBondContact O-N 3.15Å
159D77.7Confident88.4Confident119 Ų11949.3 Ų49.364%0.63631%0.306SS*.THydrogen-bonded Turntrans-77.80.2-179.567.8-0000113.9A157 S161A157-D159 VanDerWaalsContact CB-OD1 3.27Å; A157-D159 WeakPolarHBondContact CB-OD1 3.22Å; A157-D159 PolarHBondContact O-N 3.4Å; A157-D159 VanDerWaalsContact O-N 3.08Å; D159-S161 VanDerWaalsContact CG-OG 3.31Å; D159-S161 PolarHBondContact O-N 3Å; D159-S161 WeakPolarHBondContact OD1-CB 3.4Å; D159-S161 PolarHBondContact OD1-N 3.39Å; D159-S161 PolarHBondContact OD1-OG 3.36Å; D159-S161 PolarHBondContact OD2-OG 3.21Å
160G75.4Confident88.3Confident72 Ų7252.1 Ų52.174%0.74232%0.318SS*.THydrogen-bonded Turntrans73.33.8-178.500000114.3A157 D158 G162A157-G160 PolarHBondContact O-N 3.5Å; D158-G160 PolarHBondContact O-N 3.15Å; G160-G162 PolarHBondContact O-N 3.44Å
161S81Confident88.1Confident72 Ų7257.2 Ų57.250%0.50335%0.345SS..THydrogen-bonded Turntrans-68.4-16.2176.867.50000113.1D159 K163D159-S161 VanDerWaalsContact CG-OG 3.31Å; D159-S161 PolarHBondContact O-N 3Å; D159-S161 WeakPolarHBondContact OD1-CB 3.4Å; D159-S161 PolarHBondContact OD1-N 3.39Å; D159-S161 PolarHBondContact OD1-OG 3.36Å; D159-S161 PolarHBondContact OD2-OG 3.21Å; S161-K163 PolarHBondContact O-N 2.81Å; S161-K163 WeakPolarHBondContact OG-CB 3.19Å; S161-K163 PolarHBondContact OG-N 3.5Å; S161-K163 VanDerWaalsContact OG-N 3.13Å
162G80Confident88.1Confident53 Ų5359.7 Ų59.755%0.54636%0.356SS..  trans68.14.9-170.800000113.3G160 L164G160-G162 PolarHBondContact O-N 3.44Å; G162-L164 PolarHBondContact O-N 3.47Å
163K86.8Confident88.1Confident152 Ų15258.3 Ų58.366%0.66135%0.347SS*.  trans-65.5130.8177.2-171.6178.6178.2-174.50109.3A157 S161A157-K163 HydrophobicContact CB-CB 4.41Å; A157-K163 VanDerWaalsContact CB-O 3.23Å; A157-K163 WeakPolarHBondContact CB-O 3.31Å; A157-K163 PolarHBondContact N-O 2.96Å; S161-K163 PolarHBondContact O-N 2.81Å; S161-K163 WeakPolarHBondContact OG-CB 3.19Å; S161-K163 PolarHBondContact OG-N 3.5Å; S161-K163 VanDerWaalsContact OG-N 3.13Å
164L90Very high88.4Confident77 Ų7766.2 Ų66.240%0.40338%0.375SS..EExtended strand (participates in β ladder)trans-76.1135.8176.7-63.5174.7000110.5M154 N155 G162M154-L164 HydrophobicContact CG-CD1 4.48Å; M154-L164 HydrophobicContact CG-CD2 4.29Å; M154-L164 HydrophobicContact SD-CD1 4.13Å; N155-L164 CarbonylContact O-C 3.34Å; N155-L164 VanDerWaalsContact O-CA 3.31Å; N155-L164 WeakPolarHBondContact O-CA 3.32Å; G162-L164 PolarHBondContact O-N 3.47Å
165C91.4Very high88.8Confident18 Ų1869.6 Ų69.612%0.12238%0.381CS..EExtended strand (participates in β ladder)trans-137.1161.9173.560.90000110.9N155N155-C165 PolarHBondContact N-O 3.04Å; N155-C165 PolarHBondContact O-N 3.29Å
166G93.6Very high89.1Confident5 Ų570.4 Ų70.45%0.05239%0.387CS..  trans-85.7-175.2177.700000113.4N136 D151 V168N136-G166 PolarHBondContact N-O 2.81Å; N136-G166 VanDerWaalsContact N-O 3.08Å; D151-G166 WeakPolarHBondContact OD2-CA 3.48Å; G166-V168 VanDerWaalsContact C-N 3.26Å
167D95.2Very high89.7Confident0 Ų068.2 Ų68.20%037%0.369CS..SBendtrans-78.1-15.2172.8-69-24.9000112.4V130 A131 V132 G133 Q134 N136 M137 V138 D151 G153 N155V130-D167 HydrophobicContact CB-CB 4.29Å; V130-D167 HydrophobicContact CG1-CB 3.41Å; V130-D167 VanDerWaalsContact CG1-CB 3.41Å; A131-D167 WeakPolarHBondContact CA-OD2 3.24Å; V132-D167 HydrophobicContact CG1-CB 3.95Å; V132-D167 PolarHBondContact N-OD2 2.88Å; G133-D167 WeakPolarHBondContact CA-OD1 3.44Å; G133-D167 PolarHBondContact N-OD1 2.68Å; G133-D167 VanDerWaalsContact N-OD1 3.17Å; G133-D167 PolarHBondContact N-OD2 2.98Å; Q134-D167 PolarHBondContact N-OD1 2.91Å; Q134-D167 WeakPolarHBondContact O-CA 3.34Å; N136-D167 CarbonylContact C-O 3.23Å; M137-D167 PolarHBondContact N-O 3.4Å; V138-D167 PolarHBondContact N-O 2.88Å; D151-D167 PolarHBondContact OD1-N 3.31Å; D151-D167 PolarHBondContact OD2-N 2.83Å; G153-D167 WeakPolarHBondContact CA-OD2 3.43Å; N155-D167 PolarHBondContact ND2-OD1 2.81Å
168V96.1Very high90.5Very high1 Ų170.2 Ų70.21%0.00638%0.381CS..BIsolated β-bridgetrans-104.4136.5179.7-172.70000109.9V130 V138 V149 D151 G166 F170 A173 I180V130-V168 HydrophobicContact CB-CG2 3.88Å; V130-V168 HydrophobicContact CG1-CG2 4.23Å; V130-V168 HydrophobicContact CG2-CG2 3.62Å; V138-V168 HydrophobicContact CB-CB 4.45Å; V138-V168 HydrophobicContact CB-CG1 4.35Å; V138-V168 HydrophobicContact CB-CG2 4.1Å; V138-V168 HydrophobicContact CG1-CG1 4.34Å; V138-V168 HydrophobicContact CG1-CG2 4.45Å; V149-V168 HydrophobicContact CG1-CG1 4.27Å; V149-V168 HydrophobicContact CG1-CG2 3.92Å; D151-V168 HydrophobicContact CB-CB 4.39Å; D151-V168 HydrophobicContact CB-CG2 3.96Å; D151-V168 VanDerWaalsContact OD2-CB 3.32Å; D151-V168 WeakPolarHBondContact OD2-CB 3.36Å; D151-V168 WeakPolarHBondContact OD2-CG2 3.38Å; D151-V168 PolarHBondContact OD2-N 3.32Å; G166-V168 VanDerWaalsContact C-N 3.26Å; V168-F170 VanDerWaalsContact C-N 3.33Å; V168-F170 PolarHBondContact O-N 2.72Å; V168-A173 HydrophobicContact CG1-CB 3.5Å; V168-I180 HydrophobicContact CG1-CD1 4.11Å
169D94.9Very high91.5Very high40 Ų4068.1 Ų68.121%0.21437%0.365CS..  trans-66.591.7169.1-165.4-43.9000109.7N136 V138 K139 D171 E172 A173N136-D169 HydrophobicContact CB-CB 4.39Å; V138-D169 PolarHBondContact O-N 3.02Å; K139-D169 HydrophobicContact CD-CB 3.88Å; K139-D169 IonicContact NZ-OD2 3.37Å; K139-D169 PolarHBondContact NZ-OD2 2.99Å; D169-D171 VanDerWaalsContact C-N 3.3Å; D169-D171 PolarHBondContact O-N 2.88Å; D169-E172 HydrophobicContact CB-CB 4.3Å; D169-E172 PolarHBondContact O-N 2.97Å; D169-E172 PolarHBondContact OD1-N 3.16Å; D169-A173 WeakPolarHBondContact O-CB 3.5Å; D169-A173 PolarHBondContact O-N 3.38Å
170F94.9Very high92.4Very high59 Ų5963.9 Ų63.926%0.25934%0.342SS..Hα-helixtrans-58.8-39.9-168.8-176-95.6000112.8V168 R174 I180 P182V168-F170 VanDerWaalsContact C-N 3.33Å; V168-F170 PolarHBondContact O-N 2.72Å; F170-R174 WeakPolarHBondContact O-CB 3.45Å; F170-R174 PolarHBondContact O-N 3.11Å; F170-I180 HydrophobicContact CD2-CD1 3.78Å; F170-I180 HydrophobicContact CD2-CG1 3.91Å; F170-I180 HydrophobicContact CD2-CG2 4.29Å; F170-I180 HydrophobicContact CE2-CB 4.4Å; F170-I180 HydrophobicContact CE2-CD1 4.26Å; F170-I180 HydrophobicContact CE2-CG1 3.95Å; F170-I180 HydrophobicContact CE2-CG2 3.71Å; F170-I180 HydrophobicContact CZ-CG2 4.21Å; F170-P182 HydrophobicContact CE2-CB 4.03Å; F170-P182 HydrophobicContact CZ-CB 4.2Å
171D94.1Very high93.4Very high110 Ų11061.1 Ų61.159%0.58831%0.311SS*.Hα-helixtrans-71-35.4-176.6-73.6-33.2000112.5D169 R175D169-D171 VanDerWaalsContact C-N 3.3Å; D169-D171 PolarHBondContact O-N 2.88Å; D171-R175 PolarHBondContact O-NE 2.98Å
172E95.4Very high94Very high55 Ų5560.4 Ų60.426%0.25731%0.305SS..Hα-helixtrans-75.5-45.6173.8-159.7-165.8159.100110.9K139 G140 S141 D169 R175K139-E172 WeakPolarHBondContact CA-OE2 3.26Å; K139-E172 VanDerWaalsContact CB-OE2 3.27Å; K139-E172 WeakPolarHBondContact CB-OE2 3.25Å; G140-E172 PolarHBondContact N-OE1 2.8Å; G140-E172 PolarHBondContact N-OE2 2.93Å; S141-E172 WeakPolarHBondContact CB-OE1 3.39Å; S141-E172 PolarHBondContact N-OE1 3.28Å; S141-E172 PolarHBondContact OG-OE1 2.78Å; D169-E172 HydrophobicContact CB-CB 4.3Å; D169-E172 PolarHBondContact O-N 2.97Å; D169-E172 PolarHBondContact OD1-N 3.16Å; E172-R175 PolarHBondContact O-N 2.9Å
173A96.2Very high94.5Very high0 Ų059.3 Ų59.30%029%0.287CS..Hα-helixtrans-67.4-38.7-174.800000113.1L143 V168 D169 R175 V176 A177 I180L143-A173 HydrophobicContact CD1-CB 3.57Å; V168-A173 HydrophobicContact CG1-CB 3.5Å; D169-A173 WeakPolarHBondContact O-CB 3.5Å; D169-A173 PolarHBondContact O-N 3.38Å; A173-R175 PolarHBondContact O-N 3.26Å; A173-R175 VanDerWaalsContact O-N 3.11Å; A173-V176 PolarHBondContact O-N 3.4Å; A173-A177 WeakPolarHBondContact O-CB 3.44Å; A173-A177 PolarHBondContact O-N 3.25Å; A173-I180 HydrophobicContact CB-CD1 3.49Å; A173-I180 VanDerWaalsContact CB-CD1 3.49Å
174R95.9Very high94.6Very high172 Ų17256 Ų5665%0.64928%0.282SS*.THydrogen-bonded Turntrans-59.8-22.2177.5-175.8177.4177.1-174.71.8113.3F170 V176 I180F170-R174 WeakPolarHBondContact O-CB 3.45Å; F170-R174 PolarHBondContact O-N 3.11Å; R174-V176 VanDerWaalsContact C-N 3.31Å; R174-I180 HydrophobicContact CB-CG2 3.95Å; R174-I180 HydrophobicContact CG-CG2 4.13Å
175R96.2Very high94.5Very high201 Ų20155 Ų5576%0.75829%0.289SS*.THydrogen-bonded Turntrans-78.7-14.8176.9-59177.5-160.5143.48.3113.3D171 E172 A173D171-R175 PolarHBondContact O-NE 2.98Å; E172-R175 PolarHBondContact O-N 2.9Å; A173-R175 PolarHBondContact O-N 3.26Å; A173-R175 VanDerWaalsContact O-N 3.11Å
176V96.4Very high94.4Very high45 Ų4554.6 Ų54.627%0.27329%0.289SS..THydrogen-bonded Turntrans-118-40.3-173.8-174.30000112.1L143 G146 A173 R174L143-V176 HydrophobicContact CB-CB 4.34Å; L143-V176 HydrophobicContact CB-CG1 3.88Å; G146-V176 PolarHBondContact N-O 3.13Å; G146-V176 VanDerWaalsContact N-O 3.07Å; A173-V176 PolarHBondContact O-N 3.4Å; R174-V176 VanDerWaalsContact C-N 3.31Å
177A96.9Very high94.4Very high15 Ų1554.9 Ų54.912%0.12429%0.289CS..  trans-70.1145.1-17900000111.9L143 T147 V149 A173 I180L143-A177 HydrophobicContact CD1-CB 4.35Å; T147-A177 CarbonylContact O-C 3.58Å; T147-A177 WeakPolarHBondContact O-CA 3.11Å; T147-A177 VanDerWaalsContact O-CB 3.3Å; T147-A177 WeakPolarHBondContact O-CB 3.49Å; V149-A177 HydrophobicContact CB-CB 4.49Å; V149-A177 HydrophobicContact CG2-CB 3.81Å; A173-A177 WeakPolarHBondContact O-CB 3.44Å; A173-A177 PolarHBondContact O-N 3.25Å; A177-I180 HydrophobicContact CB-CB 4.38Å
178S96.5Very high94.2Very high59 Ų5956.9 Ų56.941%0.41331%0.31SS..SBendtrans-71.9-37170.753.50000111.4G146 T147 V148G146-S178 WeakPolarHBondContact O-CB 3.46Å; G146-S178 PolarHBondContact O-OG 2.88Å; T147-S178 PolarHBondContact O-N 3.01Å; T147-S178 PolarHBondContact O-OG 2.87Å; V148-S178 WeakPolarHBondContact CG2-OG 3.24Å
179F96.8Very high94.1Very high105 Ų10560.4 Ų60.446%0.46133%0.333SS..EExtended strand (participates in β ladder)trans-141142.8174.5-68.7-89000109.3I75 V148 V149I75-F179 HydrophobicContact CB-CD1 4.47Å; I75-F179 HydrophobicContact CB-CE1 4.19Å; I75-F179 HydrophobicContact CB-CE2 4.39Å; I75-F179 HydrophobicContact CB-CZ 4.15Å; I75-F179 HydrophobicContact CD1-CB 4.07Å; I75-F179 HydrophobicContact CD1-CD1 4.28Å; I75-F179 HydrophobicContact CD1-CD2 3.78Å; I75-F179 HydrophobicContact CD1-CE2 4.27Å; I75-F179 HydrophobicContact CD1-CG 3.78Å; I75-F179 HydrophobicContact CG2-CD1 4Å; I75-F179 HydrophobicContact CG2-CE1 3.88Å; I75-F179 HydrophobicContact CG2-CZ 4.35Å; V148-F179 HydrophobicContact CG1-CB 4.17Å; V148-F179 HydrophobicContact CG2-CB 4.47Å; V148-F179 HydrophobicContact CG2-CD2 4.3Å; V149-F179 PolarHBondContact N-O 2.97Å
180I96.3Very high94.2Very high30 Ų3060.8 Ų60.815%0.15433%0.334CS..EExtended strand (participates in β ladder)trans-143134.9173.4-177.2164.8000110.6V149 V168 F170 A173 R174 A177V149-I180 HydrophobicContact CB-CB 4.26Å; V149-I180 HydrophobicContact CB-CD1 4.29Å; V149-I180 HydrophobicContact CB-CG1 4.05Å; V149-I180 HydrophobicContact CG1-CD1 4.16Å; V149-I180 HydrophobicContact CG1-CG1 4.18Å; V149-I180 VanDerWaalsContact O-CA 3.28Å; V149-I180 WeakPolarHBondContact O-CA 3.01Å; V168-I180 HydrophobicContact CG1-CD1 4.11Å; F170-I180 HydrophobicContact CD2-CD1 3.78Å; F170-I180 HydrophobicContact CD2-CG1 3.91Å; F170-I180 HydrophobicContact CD2-CG2 4.29Å; F170-I180 HydrophobicContact CE2-CB 4.4Å; F170-I180 HydrophobicContact CE2-CD1 4.26Å; F170-I180 HydrophobicContact CE2-CG1 3.95Å; F170-I180 HydrophobicContact CE2-CG2 3.71Å; F170-I180 HydrophobicContact CZ-CG2 4.21Å; A173-I180 HydrophobicContact CB-CD1 3.49Å; A173-I180 VanDerWaalsContact CB-CD1 3.49Å; R174-I180 HydrophobicContact CB-CG2 3.95Å; R174-I180 HydrophobicContact CG-CG2 4.13Å; A177-I180 HydrophobicContact CB-CB 4.38Å
181T96.4Very high94.1Very high14 Ų1459.3 Ų59.39%0.08633%0.33CS..  trans-77.2131.9174.355.90000111.2L71 V149 I150 D151 V187L71-T181 HydrophobicContact CD1-CG2 3.95Å; V149-T181 PolarHBondContact O-N 3.48Å; V149-T181 VanDerWaalsContact O-N 3.16Å; I150-T181 HydrophobicContact CB-CG2 4.45Å; I150-T181 HydrophobicContact CG1-CG2 4.38Å; I150-T181 HydrophobicContact CG2-CG2 4.13Å; D151-T181 PolarHBondContact N-OG1 3.49Å; D151-T181 PolarHBondContact O-OG1 2.95Å; T181-V187 HydrophobicContact CG2-CG2 4.13Å
182P93.9Very high94.2Very high57 Ų5758.1 Ų58.137%0.3733%0.326SS..  trans-73.3151.3173.330.8-34.3000111.4F170 P184 G186F170-P182 HydrophobicContact CE2-CB 4.03Å; F170-P182 HydrophobicContact CZ-CB 4.2Å; P182-P184 CarbonylContact C-O 3.54Å; P182-P184 CarbonylContact O-C 3.37Å; P182-G186 WeakPolarHBondContact O-CA 3.37Å; P182-G186 PolarHBondContact O-N 2.75Å
183V91.5Very high94.2Very high30 Ų3057.5 Ų57.518%0.18233%0.33CS..THydrogen-bonded Turntrans-127.2119.6170.5-178.90000108.9D151 G153 M154D151-V183 HydrophobicContact CB-CG2 3.94Å; G153-V183 VanDerWaalsContact O-CG1 3.31Å; G153-V183 WeakPolarHBondContact O-CG1 3.44Å; M154-V183 HydrophobicContact CB-CG1 4.45Å; M154-V183 HydrophobicContact CG-CG1 4.4Å
184P87.6Confident94.2Very high84 Ų8458.1 Ų58.155%0.54533%0.334SS..THydrogen-bonded Turncis-73.3171.2-4.632.6-36000113P182P182-P184 CarbonylContact C-O 3.54Å; P182-P184 CarbonylContact O-C 3.37Å
185G87.5Confident94.2Very high54 Ų5451.6 Ų51.656%0.55731%0.311SS*.THydrogen-bonded Turntrans102.6-5.6168.800000116.5
186G89.2Confident94.2Very high11 Ų1147.2 Ų47.211%0.11330%0.302CS..SBendtrans-86.4-89176.400000113.2P182 G188 P189P182-G186 WeakPolarHBondContact O-CA 3.37Å; P182-G186 PolarHBondContact O-N 2.75Å; G186-G188 PolarHBondContact O-N 3.3Å; G186-P189 WeakPolarHBondContact O-CD 3.47Å
187V94.1Very high94.2Very high10 Ų1048.7 Ų48.76%0.06131%0.306CS..Hα-helixtrans-73.7-27.8-171.8-177.70000113.3T64 L71 I150 D151 T181 M190 T191T64-V187 HydrophobicContact CG2-CG1 3.67Å; L71-V187 HydrophobicContact CD1-CG2 4.37Å; I150-V187 HydrophobicContact CG2-CG2 3.57Å; D151-V187 WeakPolarHBondContact O-CG2 3.39Å; T181-V187 HydrophobicContact CG2-CG2 4.13Å; V187-M190 PolarHBondContact O-N 3.19Å; V187-T191 PolarHBondContact O-N 3.19Å; V187-T191 PolarHBondContact O-OG1 3.46Å
188G92.1Very high94Very high42 Ų4248.5 Ų48.543%0.43330%0.303SS..Hα-helixtrans-56.2-55.4-178.300000114G186 M190 T191 V192G186-G188 PolarHBondContact O-N 3.3Å; G188-M190 PolarHBondContact O-N 3.27Å; G188-T191 WeakPolarHBondContact O-CB 3.41Å; G188-T191 PolarHBondContact O-N 3.4Å; G188-V192 PolarHBondContact O-N 3.43Å
189P94.4Very high93.9Very high76 Ų7647.9 Ų47.949%0.49430%0.297SS..Hα-helixtrans-54.6-38.3175.5-29.335.8000113.9G186 V192 A193G186-P189 WeakPolarHBondContact O-CD 3.47Å; P189-V192 PolarHBondContact O-N 3.37Å; P189-A193 PolarHBondContact O-N 3.37Å
190M95.5Very high93.6Very high47 Ų4746.7 Ų46.723%0.23230%0.298CS..Hα-helixtrans-69.2-37.5176.7-65.1-60.5-59.200112.1E70 L71 V187 G188 V192 A193 M194E70-M190 HydrophobicContact CB-CE 3.68Å; L71-M190 HydrophobicContact CD1-CG 4.02Å; L71-M190 HydrophobicContact CD2-CG 3.76Å; L71-M190 HydrophobicContact CD2-SD 4.25Å; L71-M190 HydrophobicContact CG-CE 4.48Å; L71-M190 HydrophobicContact CG-CG 3.74Å; V187-M190 PolarHBondContact O-N 3.19Å; G188-M190 PolarHBondContact O-N 3.27Å; M190-V192 VanDerWaalsContact C-N 3.32Å; M190-V192 PolarHBondContact O-N 2.81Å; M190-A193 PolarHBondContact O-N 2.8Å; M190-M194 VanDerWaalsContact O-CG 3.28Å; M190-M194 WeakPolarHBondContact O-CG 3.28Å; M190-M194 PolarHBondContact O-N 3.29Å
191T94.3Very high93.1Very high29 Ų2950.2 Ų50.218%0.17831%0.312CS..Hα-helixtrans-59-45.2173.3-57.90000110.6C63 T64 V187 G188 M194 L195C63-T191 HydrophobicContact CB-CG2 3.71Å; T64-T191 WeakPolarHBondContact OG1-CG2 3.38Å; T64-T191 PolarHBondContact OG1-OG1 3.3Å; V187-T191 PolarHBondContact O-N 3.19Å; V187-T191 PolarHBondContact O-OG1 3.46Å; G188-T191 WeakPolarHBondContact O-CB 3.41Å; G188-T191 PolarHBondContact O-N 3.4Å; T191-M194 PolarHBondContact O-N 3.34Å; T191-L195 WeakPolarHBondContact O-CB 3.37Å; T191-L195 PolarHBondContact O-N 3.15Å
192V94.8Very high92.5Very high85 Ų8550.1 Ų50.152%0.51531%0.313SS..Hα-helixtrans-64.3-42.5176.7177.80000111.5G188 P189 M190 M194 L195 L196G188-V192 PolarHBondContact O-N 3.43Å; P189-V192 PolarHBondContact O-N 3.37Å; M190-V192 VanDerWaalsContact C-N 3.32Å; M190-V192 PolarHBondContact O-N 2.81Å; V192-M194 VanDerWaalsContact C-N 3.34Å; V192-M194 PolarHBondContact O-N 3.22Å; V192-L195 WeakPolarHBondContact O-CB 3.38Å; V192-L195 PolarHBondContact O-N 3.1Å; V192-L196 HydrophobicContact CG1-CD1 4.4Å; V192-L196 WeakPolarHBondContact O-CG 3.47Å; V192-L196 PolarHBondContact O-N 2.85Å
193A96.4Very high91.9Very high41 Ų4149.1 Ų49.134%0.33931%0.309SS..Hα-helixtrans-61.4-42.2176.900000112.1P189 M190 L196 Q197P189-A193 PolarHBondContact O-N 3.37Å; M190-A193 PolarHBondContact O-N 2.8Å; A193-L196 PolarHBondContact O-N 3.11Å; A193-Q197 WeakPolarHBondContact O-CB 3.3Å; A193-Q197 PolarHBondContact O-N 2.84Å
194M96.4Very high91Very high14 Ų1454.7 Ų54.77%0.06933%0.334CS..Hα-helixtrans-68.9-35.5177.4-65-5595.500112.2C63 N66 E70 M190 T191 V192 Q197 N198C63-M194 HydrophobicContact CB-CB 4.14Å; N66-M194 HydrophobicContact CB-CB 4.46Å; N66-M194 HydrophobicContact CB-CG 4.01Å; N66-M194 HydrophobicContact CB-SD 4.3Å; N66-M194 PolarHBondContact ND2-SD 3.27Å; E70-M194 HydrophobicContact CG-CE 4.16Å; E70-M194 HydrophobicContact CG-SD 3.75Å; M190-M194 VanDerWaalsContact O-CG 3.28Å; M190-M194 WeakPolarHBondContact O-CG 3.28Å; M190-M194 PolarHBondContact O-N 3.29Å; T191-M194 PolarHBondContact O-N 3.34Å; V192-M194 VanDerWaalsContact C-N 3.34Å; V192-M194 PolarHBondContact O-N 3.22Å; M194-Q197 PolarHBondContact O-N 3.21Å; M194-N198 WeakPolarHBondContact O-CB 3.43Å; M194-N198 PolarHBondContact O-N 3.08Å
195L95.9Very high89.7Confident35 Ų3553.2 Ų53.218%0.18333%0.325CS..Hα-helixtrans-60.8-46.8173-18071000111.6I14 V40 C63 T191 V192 N198 T199I14-L195 HydrophobicContact CD1-CD1 3.99Å; I14-L195 HydrophobicContact CD1-CD2 3.74Å; V40-L195 HydrophobicContact CB-CD1 4.06Å; V40-L195 HydrophobicContact CG2-CD1 3.54Å; C63-L195 VanDerWaalsContact SG-CA 3.53Å; T191-L195 WeakPolarHBondContact O-CB 3.37Å; T191-L195 PolarHBondContact O-N 3.15Å; V192-L195 WeakPolarHBondContact O-CB 3.38Å; V192-L195 PolarHBondContact O-N 3.1Å; L195-N198 PolarHBondContact O-N 3.3Å; L195-T199 WeakPolarHBondContact O-CB 3.48Å; L195-T199 PolarHBondContact O-N 3.5Å; L195-T199 PolarHBondContact O-OG1 2.99Å
196L96.1Very high88Confident108 Ų10855.1 Ų55.157%0.56532%0.32SS*.Hα-helixtrans-63.3-42.7176.1-68.1174.7000111.1V192 A193 N198 T199 V200V192-L196 HydrophobicContact CG1-CD1 4.4Å; V192-L196 WeakPolarHBondContact O-CG 3.47Å; V192-L196 PolarHBondContact O-N 2.85Å; A193-L196 PolarHBondContact O-N 3.11Å; L196-N198 PolarHBondContact O-N 3.47Å; L196-T199 WeakPolarHBondContact O-CB 3.32Å; L196-T199 PolarHBondContact O-N 3.46Å; L196-V200 WeakPolarHBondContact O-CG2 3.13Å; L196-V200 PolarHBondContact O-N 3.2Å
197Q94.8Very high86.4Confident77 Ų7758.3 Ų58.336%0.3634%0.34SS..Hα-helixtrans-61-45175.5-174.4-175.486.600111.9A193 M194 T199 V200 K201A193-Q197 WeakPolarHBondContact O-CB 3.3Å; A193-Q197 PolarHBondContact O-N 2.84Å; M194-Q197 PolarHBondContact O-N 3.21Å; Q197-T199 VanDerWaalsContact C-N 3.28Å; Q197-T199 PolarHBondContact O-N 3Å; Q197-V200 PolarHBondContact O-N 3.13Å; Q197-K201 HydrophobicContact CG-CD 4.33Å; Q197-K201 WeakPolarHBondContact O-CG 3.47Å; Q197-K201 PolarHBondContact O-N 3.12Å
198N94.2Very high85Confident10 Ų1063.4 Ų63.45%0.05337%0.373CS..Hα-helixtrans-64.4-35176.7-76.1-10.3000111.4V40 V60 I61 M194 L195 L196 K201 A202V40-N198 HydrophobicContact CB-CB 4.09Å; V40-N198 HydrophobicContact CG1-CB 4.45Å; V40-N198 VanDerWaalsContact O-CB 3.26Å; V40-N198 WeakPolarHBondContact O-CB 3.44Å; V40-N198 PolarHBondContact O-ND2 3.38Å; V60-N198 HydrophobicContact CG1-CB 4.16Å; V60-N198 WeakPolarHBondContact CG1-ND2 3.32Å; I61-N198 PolarHBondContact O-ND2 3.36Å; M194-N198 WeakPolarHBondContact O-CB 3.43Å; M194-N198 PolarHBondContact O-N 3.08Å; L195-N198 PolarHBondContact O-N 3.3Å; L196-N198 PolarHBondContact O-N 3.47Å; N198-K201 PolarHBondContact O-N 2.89Å; N198-A202 VanDerWaalsContact O-CB 3.24Å; N198-A202 WeakPolarHBondContact O-CB 3.4Å; N198-A202 PolarHBondContact O-N 3.21Å
199T93.4Very high84.2Confident47 Ų4762.2 Ų62.229%0.28836%0.358SS..Hα-helixtrans-66.4-42.5175.4-54.50000111.9L195 L196 Q197 A202 A203L195-T199 WeakPolarHBondContact O-CB 3.48Å; L195-T199 PolarHBondContact O-N 3.5Å; L195-T199 PolarHBondContact O-OG1 2.99Å; L196-T199 WeakPolarHBondContact O-CB 3.32Å; L196-T199 PolarHBondContact O-N 3.46Å; Q197-T199 VanDerWaalsContact C-N 3.28Å; Q197-T199 PolarHBondContact O-N 3Å; T199-A202 PolarHBondContact O-N 3.2Å; T199-A203 PolarHBondContact O-N 3.38Å
200V90.3Very high83.5Confident79 Ų7961.2 Ų61.248%0.47935%0.351SS..Hα-helixtrans-63.3-48.2174.3172.60000110.4L196 Q197 A202 A203 E204L196-V200 WeakPolarHBondContact O-CG2 3.13Å; L196-V200 PolarHBondContact O-N 3.2Å; Q197-V200 PolarHBondContact O-N 3.13Å; V200-A202 VanDerWaalsContact C-N 3.3Å; V200-A202 PolarHBondContact O-N 3.38Å; V200-A203 WeakPolarHBondContact O-CB 3.46Å; V200-A203 PolarHBondContact O-N 2.79Å; V200-A203 VanDerWaalsContact O-N 3.15Å; V200-E204 HydrophobicContact CG1-CG 4.33Å; V200-E204 WeakPolarHBondContact O-CG 3.46Å; V200-E204 PolarHBondContact O-N 3.19Å
201K86.7Confident83.1Confident104 Ų10462.5 Ų62.545%0.45237%0.365SS..Hα-helixtrans-58.4-42.1175.8-74.2174.8178169.10112Q197 N198 A203 E204 S205Q197-K201 HydrophobicContact CG-CD 4.33Å; Q197-K201 WeakPolarHBondContact O-CG 3.47Å; Q197-K201 PolarHBondContact O-N 3.12Å; N198-K201 PolarHBondContact O-N 2.89Å; K201-A203 VanDerWaalsContact C-N 3.34Å; K201-A203 PolarHBondContact O-N 3.01Å; K201-E204 PolarHBondContact O-N 3.08Å; K201-S205 WeakPolarHBondContact O-CB 3.39Å; K201-S205 PolarHBondContact O-N 3.27Å; K201-S205 PolarHBondContact O-OG 2.93Å; K201-S205 VanDerWaalsContact O-OG 3.1Å
202A83.5Confident82.8Confident12 Ų1263.3 Ų63.310%0.09937%0.368CS..Hα-helixtrans-61.6-43.2177.500000111.2H11 A37 V40 N198 T199 V200 S205H11-A202 VanDerWaalsContact O-CB 3.24Å; H11-A202 WeakPolarHBondContact O-CB 3.23Å; A37-A202 WeakPolarHBondContact O-CB 3.22Å; V40-A202 HydrophobicContact CG1-CB 4.06Å; N198-A202 VanDerWaalsContact O-CB 3.24Å; N198-A202 WeakPolarHBondContact O-CB 3.4Å; N198-A202 PolarHBondContact O-N 3.21Å; T199-A202 PolarHBondContact O-N 3.2Å; V200-A202 VanDerWaalsContact C-N 3.3Å; V200-A202 PolarHBondContact O-N 3.38Å; A202-S205 VanDerWaalsContact CA-OG 3.28Å; A202-S205 WeakPolarHBondContact CA-OG 3.48Å; A202-S205 CarbonylContact O-C 3.55Å; A202-S205 PolarHBondContact O-N 2.98Å; A202-S205 PolarHBondContact O-OG 3.18Å
203A82.3Confident82.4Confident36 Ų3663.1 Ų63.130%0.29836%0.363SS..Hα-helixtrans-65.4-42.6175.800000113.1H11 T199 V200 K201 S205H11-A203 HydrophobicContact CB-CB 3.67Å; H11-A203 VanDerWaalsContact CG-CB 3.48Å; T199-A203 PolarHBondContact O-N 3.38Å; V200-A203 WeakPolarHBondContact O-CB 3.46Å; V200-A203 PolarHBondContact O-N 2.79Å; V200-A203 VanDerWaalsContact O-N 3.15Å; K201-A203 VanDerWaalsContact C-N 3.34Å; K201-A203 PolarHBondContact O-N 3.01Å; A203-S205 PolarHBondContact O-N 3.28Å
204E72.3Confident81.9Confident148 Ų14863.2 Ų63.269%0.69236%0.364SS*.Hα-helixtrans-66-27.6174.2-69172165.700111.8V200 K201 E206V200-E204 HydrophobicContact CG1-CG 4.33Å; V200-E204 WeakPolarHBondContact O-CG 3.46Å; V200-E204 PolarHBondContact O-N 3.19Å; K201-E204 PolarHBondContact O-N 3.08Å; E204-E206 PolarHBondContact O-N 2.92Å
205S59.3Low81.4Confident53 Ų5363 Ų6337%0.37136%0.363SS..THydrogen-bonded Turntrans-87.121-179.276.20000115.1K201 A202 A203 S207K201-S205 WeakPolarHBondContact O-CB 3.39Å; K201-S205 PolarHBondContact O-N 3.27Å; K201-S205 PolarHBondContact O-OG 2.93Å; K201-S205 VanDerWaalsContact O-OG 3.1Å; A202-S205 VanDerWaalsContact CA-OG 3.28Å; A202-S205 WeakPolarHBondContact CA-OG 3.48Å; A202-S205 CarbonylContact O-C 3.55Å; A202-S205 PolarHBondContact O-N 2.98Å; A202-S205 PolarHBondContact O-OG 3.18Å; A203-S205 PolarHBondContact O-N 3.28Å; S205-S207 CarbonylContact O-C 3.21Å; S205-S207 WeakPolarHBondContact O-CA 3.26Å; S205-S207 PolarHBondContact O-N 3.13Å
206E52.4Low80.9Confident94 Ų9461.9 Ų61.944%0.43936%0.358SS..  trans-59.210.7163.6-77-152.1146.100113.6E204 P208 V209E204-E206 PolarHBondContact O-N 2.92Å; E206-P208 CarbonylContact O-C 3.27Å; E206-P208 VanDerWaalsContact O-C 3.23Å; E206-V209 PolarHBondContact O-N 3.05Å
207S54.7Low80.5Confident77 Ų7763.5 Ų63.554%0.53836%0.361SS..  trans-66.8121.3147.8-80.60000113.5S205S205-S207 CarbonylContact O-C 3.21Å; S205-S207 WeakPolarHBondContact O-CA 3.26Å; S205-S207 PolarHBondContact O-N 3.13Å
208P64.8Low80.1Confident118 Ų11863.5 Ų63.577%0.76637%0.374SS*.SBendcis-87.3127.322.530.4-32.5000111.5E206E206-P208 CarbonylContact O-C 3.27Å; E206-P208 VanDerWaalsContact O-C 3.23Å
209V75.5Confident79.5Confident17 Ų1767.5 Ų67.510%0.10339%0.392CS..  trans-42.8126.3165.2171.80000107.4E206 I215 Y322 W638 A639E206-V209 PolarHBondContact O-N 3.05Å; V209-I215 HydrophobicContact CG1-CD1 3.71Å; V209-Y322 HydrophobicContact CG1-CD2 4.31Å; V209-Y322 HydrophobicContact CG1-CE2 4.05Å; V209-W638 HydrophobicContact CB-CE3 4.24Å; V209-W638 HydrophobicContact CB-CH2 3.44Å; V209-W638 VanDerWaalsContact CB-CH2 3.44Å; V209-W638 HydrophobicContact CB-CZ2 4.16Å; V209-W638 HydrophobicContact CB-CZ3 3.48Å; V209-W638 VanDerWaalsContact CB-CZ3 3.48Å; V209-W638 HydrophobicContact CG1-CD2 4.5Å; V209-W638 HydrophobicContact CG1-CE3 4.26Å; V209-W638 HydrophobicContact CG1-CH2 3.76Å; V209-W638 HydrophobicContact CG1-CZ2 3.97Å; V209-W638 HydrophobicContact CG1-CZ3 3.91Å; V209-W638 HydrophobicContact CG2-CE3 3.97Å; V209-W638 HydrophobicContact CG2-CH2 3.98Å; V209-W638 HydrophobicContact CG2-CZ3 3.43Å; V209-W638 VanDerWaalsContact CG2-CZ3 3.43Å; V209-A639 HydrophobicContact CG2-CB 3.81Å
210P81.1Confident79.1Confident55 Ų5571.8 Ų71.836%0.35742%0.418SS..  trans-57.8157.9-175.4-22.431000111.1D212 A214 I215P210-D212 PolarHBondContact O-N 2.87Å; P210-A214 HydrophobicContact CB-CB 4.16Å; P210-I215 HydrophobicContact CB-CG1 3.94Å; P210-I215 HydrophobicContact CG-CG1 4.32Å; P210-I215 VanDerWaalsContact O-CD1 3.3Å; P210-I215 WeakPolarHBondContact O-CD1 3.33Å
211S85.1Confident78.8Confident73 Ų7369.1 Ų69.151%0.5140%0.402SS..  trans-54.7145.9176.565.90000111.2I213 A214 I215S211-I213 PolarHBondContact O-N 3.44Å; S211-A214 WeakPolarHBondContact O-CA 3.28Å; S211-A214 WeakPolarHBondContact O-CB 3.43Å; S211-A214 PolarHBondContact O-N 3.02Å; S211-A214 WeakPolarHBondContact OG-CB 3.43Å; S211-A214 PolarHBondContact OG-N 3.16Å; S211-I215 PolarHBondContact O-N 3.43Å; S211-I215 VanDerWaalsContact O-N 3.07Å
212D88.7Confident78.8Confident46 Ų4667.2 Ų67.225%0.24640%0.402CS..Hα-helixtrans-48.9-42.3-176.3-62.6-22.2000113.3P210 I215 S216 A317 G321 Q324P210-D212 PolarHBondContact O-N 2.87Å; D212-I215 PolarHBondContact O-N 2.84Å; D212-S216 PolarHBondContact O-N 3.16Å; D212-A317 HydrophobicContact CB-CB 3.79Å; D212-G321 PolarHBondContact OD1-N 2.89Å; D212-Q324 PolarHBondContact O-NE2 3.46Å; D212-Q324 PolarHBondContact O-OE1 2.72Å
213I85.7Confident79.2Confident82 Ų8268.6 Ų68.642%0.42141%0.41SS..Hα-helixtrans-67.8-34178.3-167.3167.5000113.2S211 S216 K217S211-I213 PolarHBondContact O-N 3.44Å; I213-S216 PolarHBondContact O-N 3.06Å; I213-K217 HydrophobicContact CG1-CD 4.3Å; I213-K217 HydrophobicContact CG1-CG 4.45Å; I213-K217 WeakPolarHBondContact O-CB 3.39Å; I213-K217 WeakPolarHBondContact O-CG 3.43Å; I213-K217 PolarHBondContact O-N 2.88Å
214A86Confident79.7Confident43 Ų4366.9 Ų66.936%0.35540%0.396SS..Hα-helixtrans-67.7-42.8175.500000110.2P210 S211 K217 A218P210-A214 HydrophobicContact CB-CB 4.16Å; S211-A214 WeakPolarHBondContact O-CA 3.28Å; S211-A214 WeakPolarHBondContact O-CB 3.43Å; S211-A214 PolarHBondContact O-N 3.02Å; S211-A214 WeakPolarHBondContact OG-CB 3.43Å; S211-A214 PolarHBondContact OG-N 3.16Å; A214-K217 PolarHBondContact O-N 2.86Å; A214-A218 WeakPolarHBondContact O-CB 3.44Å; A214-A218 PolarHBondContact O-N 3.45Å
215I86.3Confident80.7Confident8 Ų862.5 Ų62.54%0.04138%0.379CS..Hα-helixtrans-59.9-50.9172.8-61.8173.4000109.7V209 P210 S211 D212 K217 A218 Q219 Y322V209-I215 HydrophobicContact CG1-CD1 3.71Å; P210-I215 HydrophobicContact CB-CG1 3.94Å; P210-I215 HydrophobicContact CG-CG1 4.32Å; P210-I215 VanDerWaalsContact O-CD1 3.3Å; P210-I215 WeakPolarHBondContact O-CD1 3.33Å; S211-I215 PolarHBondContact O-N 3.43Å; S211-I215 VanDerWaalsContact O-N 3.07Å; D212-I215 PolarHBondContact O-N 2.84Å; I215-K217 VanDerWaalsContact C-N 3.3Å; I215-K217 PolarHBondContact O-N 3.07Å; I215-A218 PolarHBondContact O-N 3.39Å; I215-Q219 WeakPolarHBondContact O-CG 3.29Å; I215-Q219 PolarHBondContact O-N 2.96Å; I215-Y322 HydrophobicContact CD1-CD1 4.46Å; I215-Y322 HydrophobicContact CD1-CD2 4.29Å; I215-Y322 HydrophobicContact CD1-CE1 4.33Å; I215-Y322 HydrophobicContact CD1-CE2 4.2Å; I215-Y322 HydrophobicContact CD1-CG 4.46Å; I215-Y322 HydrophobicContact CG1-CE1 4.39Å; I215-Y322 HydrophobicContact CG2-CD1 3.86Å; I215-Y322 HydrophobicContact CG2-CE1 4Å
216S86.2Confident82.2Confident13 Ų1365.7 Ų65.79%0.09139%0.389CS..Hα-helixtrans-59.4-37.4-179.9176.30000113.1D212 I213 I326 M328D212-S216 PolarHBondContact O-N 3.16Å; I213-S216 PolarHBondContact O-N 3.06Å; S216-I326 WeakPolarHBondContact OG-CG2 3.42Å; S216-M328 PolarHBondContact OG-N 3.17Å
217K86.5Confident84Confident142 Ų14263.1 Ų63.162%0.61738%0.377SS*.Hα-helixtrans-78.8-24.2179.5-76.1-175.8174.8-173.60113.8I213 A214 I215 Q219I213-K217 HydrophobicContact CG1-CD 4.3Å; I213-K217 HydrophobicContact CG1-CG 4.45Å; I213-K217 WeakPolarHBondContact O-CB 3.39Å; I213-K217 WeakPolarHBondContact O-CG 3.43Å; I213-K217 PolarHBondContact O-N 2.88Å; A214-K217 PolarHBondContact O-N 2.86Å; I215-K217 VanDerWaalsContact C-N 3.3Å; I215-K217 PolarHBondContact O-N 3.07Å; K217-Q219 VanDerWaalsContact C-N 3.28Å
218A86.2Confident85.9Confident76 Ų7659.5 Ų59.563%0.62835%0.352SS*.Hα-helixtrans-75.1-19.7176.100000112.5A214 I215A214-A218 WeakPolarHBondContact O-CB 3.44Å; A214-A218 PolarHBondContact O-N 3.45Å; I215-A218 PolarHBondContact O-N 3.39Å
219Q82.4Confident87.2Confident95 Ų9558.9 Ų58.944%0.44434%0.342SS..SBendtrans-80.7149178.4-60.6-50.5-53.400112.4I215 K217 P221 I326I215-Q219 WeakPolarHBondContact O-CG 3.29Å; I215-Q219 PolarHBondContact O-N 2.96Å; K217-Q219 VanDerWaalsContact C-N 3.28Å; Q219-P221 WeakPolarHBondContact O-CD 3.44Å; Q219-I326 HydrophobicContact CB-CD1 3.44Å; Q219-I326 VanDerWaalsContact CB-CD1 3.44Å; Q219-I326 HydrophobicContact CG-CD1 3.98Å
220V85.2Confident87.7Confident137 Ų13762.2 Ų62.283%0.8337%0.371SS*.  trans-103.3102.6168.4-178.30000107.9
221P85Confident88.1Confident23 Ų2361.8 Ų61.815%0.14937%0.366CS..PPolyproline II helixtrans-69.1138.5-178.1-10.923.8000111.4Q219 Y244 I326 P327Q219-P221 WeakPolarHBondContact O-CD 3.44Å; P221-Y244 HydrophobicContact CB-CD1 3.74Å; P221-Y244 HydrophobicContact CB-CE1 3.84Å; P221-Y244 HydrophobicContact CB-CG 4.31Å; P221-Y244 HydrophobicContact CG-CD1 4.35Å; P221-Y244 HydrophobicContact CG-CE1 4.2Å; P221-Y244 WeakPolarHBondContact O-CE1 3.28Å; P221-I326 HydrophobicContact CB-CD1 4.23Å; P221-I326 HydrophobicContact CG-CD1 4.14Å; P221-P327 HydrophobicContact CG-CG 4.03Å
222S85Confident88.4Confident63 Ų6360.3 Ų60.344%0.44136%0.361SS..PPolyproline II helixtrans-64.6153.7172.1-48.10000111.6I224S222-I224 PolarHBondContact O-N 3.41Å
223C92.1Very high88.7Confident41 Ų4158.3 Ų58.328%0.27735%0.351SS..PPolyproline II helixtrans-65.9135.3175.7-170.90000109.9T225 E226 I227C223-T225 PolarHBondContact O-N 3.49Å; C223-T225 VanDerWaalsContact O-N 3.16Å; C223-T225 PolarHBondContact SG-OG1 3.48Å; C223-E226 HydrophobicContact CB-CB 4.46Å; C223-E226 HydrophobicContact CB-CG 3.98Å; C223-E226 PolarHBondContact N-OE2 3.26Å; C223-E226 WeakPolarHBondContact O-CB 3.29Å; C223-E226 PolarHBondContact O-N 3.11Å; C223-I227 PolarHBondContact O-N 3.34Å
224I93.2Very high89.1Confident1 Ų157.1 Ų57.11%0.00535%0.347CS..Hα-helixtrans-63.1-28.5-175.5-163.160.2000112.9S222 E226 I227 A228 P240 K243 A246 L493S222-I224 PolarHBondContact O-N 3.41Å; I224-E226 VanDerWaalsContact C-N 3.34Å; I224-I227 HydrophobicContact CD1-CB 4.43Å; I224-I227 HydrophobicContact CD1-CD1 4.25Å; I224-I227 PolarHBondContact O-N 3.19Å; I224-A228 VanDerWaalsContact O-CB 3.29Å; I224-A228 WeakPolarHBondContact O-CB 3.11Å; I224-A228 PolarHBondContact O-N 2.97Å; I224-P240 HydrophobicContact CG2-CB 4.48Å; I224-K243 WeakPolarHBondContact CG2-O 3.42Å; I224-K243 PolarHBondContact N-O 3.2Å; I224-A246 HydrophobicContact CG1-CB 3.91Å; I224-A246 HydrophobicContact CG2-CB 4.07Å; I224-L493 HydrophobicContact CD1-CD2 3.98Å; I224-L493 HydrophobicContact CD1-CG 3.84Å; I224-L493 WeakPolarHBondContact CD1-O 3.44Å; I224-L493 HydrophobicContact CG1-CD2 4.2Å; I224-L493 HydrophobicContact CG1-CG 4.37Å
225T93Very high89.5Confident55 Ų5559.7 Ų59.734%0.33736%0.36SS..Hα-helixtrans-70.1-32.3176.853.20000112C223 L229 P240C223-T225 PolarHBondContact O-N 3.49Å; C223-T225 VanDerWaalsContact O-N 3.16Å; C223-T225 PolarHBondContact SG-OG1 3.48Å; T225-L229 VanDerWaalsContact O-CG 3.29Å; T225-L229 WeakPolarHBondContact O-CG 3.4Å; T225-L229 PolarHBondContact O-N 3.1Å; T225-L229 VanDerWaalsContact O-N 3.07Å; T225-P240 HydrophobicContact CG2-CG 3.75Å
226E91.9Very high89.9Confident121 Ų12164 Ų6457%0.56540%0.397SS*.Hα-helixtrans-69.6-44173.2-64.2167.9175.300110.6C223 I224 A228 L229 A230C223-E226 HydrophobicContact CB-CB 4.46Å; C223-E226 HydrophobicContact CB-CG 3.98Å; C223-E226 PolarHBondContact N-OE2 3.26Å; C223-E226 WeakPolarHBondContact O-CB 3.29Å; C223-E226 PolarHBondContact O-N 3.11Å; I224-E226 VanDerWaalsContact C-N 3.34Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-A228 PolarHBondContact O-N 3.45Å; E226-L229 PolarHBondContact O-N 3.32Å; E226-A230 WeakPolarHBondContact O-CB 3.11Å; E226-A230 PolarHBondContact O-N 2.83Å
227I90.3Very high90.4Very high39 Ų3964.1 Ų64.120%0.240%0.396CS..Hα-helixtrans-60.4-46.2174.9-62.3175.6000110.2C223 I224 L229 A230 I231 Q495C223-I227 PolarHBondContact O-N 3.34Å; I224-I227 HydrophobicContact CD1-CB 4.43Å; I224-I227 HydrophobicContact CD1-CD1 4.25Å; I224-I227 PolarHBondContact O-N 3.19Å; I227-L229 PolarHBondContact O-N 3.1Å; I227-A230 PolarHBondContact O-N 2.96Å; I227-I231 PolarHBondContact O-N 3.4Å; I227-I231 VanDerWaalsContact O-N 3.11Å; I227-Q495 HydrophobicContact CD1-CG 4.09Å
228A92.9Very high90.7Very high1 Ų158.2 Ų58.21%0.00837%0.372CS..Hα-helixtrans-58.7-46.9179.500000112.1I224 E226 A230 I231 G232 L233 T238 L493I224-A228 VanDerWaalsContact O-CB 3.29Å; I224-A228 WeakPolarHBondContact O-CB 3.11Å; I224-A228 PolarHBondContact O-N 2.97Å; E226-A228 VanDerWaalsContact C-N 3.34Å; E226-A228 PolarHBondContact O-N 3.45Å; A228-A230 VanDerWaalsContact C-N 3.34Å; A228-A230 PolarHBondContact O-N 3.22Å; A228-I231 VanDerWaalsContact O-CG1 3.32Å; A228-I231 WeakPolarHBondContact O-CG1 3.31Å; A228-I231 PolarHBondContact O-N 2.92Å; A228-G232 PolarHBondContact O-N 3.38Å; A228-L233 HydrophobicContact CB-CB 4.16Å; A228-L233 HydrophobicContact CB-CD1 4.09Å; A228-L233 VanDerWaalsContact O-CB 3.31Å; A228-L233 WeakPolarHBondContact O-CB 3.32Å; A228-L233 PolarHBondContact O-N 3Å; A228-T238 HydrophobicContact CB-CG2 3.55Å; A228-L493 HydrophobicContact CB-CD2 3.85Å
229L92.1Very high91.2Very high105 Ų10558.6 Ų58.655%0.5536%0.361SS..Hα-helixtrans-61.6-42175.7-73.3168.7000111.8T225 E226 I227 I231 G232 P235T225-L229 VanDerWaalsContact O-CG 3.29Å; T225-L229 WeakPolarHBondContact O-CG 3.4Å; T225-L229 PolarHBondContact O-N 3.1Å; T225-L229 VanDerWaalsContact O-N 3.07Å; E226-L229 PolarHBondContact O-N 3.32Å; I227-L229 PolarHBondContact O-N 3.1Å; L229-I231 VanDerWaalsContact C-N 3.26Å; L229-I231 PolarHBondContact O-N 2.96Å; L229-G232 PolarHBondContact O-N 2.85Å; L229-G232 VanDerWaalsContact O-N 3.1Å; L229-P235 HydrophobicContact CD2-CG 4.27Å
230A87.2Confident91.8Very high87 Ų8757.2 Ų57.272%0.71936%0.361SS*.Hα-helixtrans-62.7-30.9-179.700000113.2E226 I227 A228E226-A230 WeakPolarHBondContact O-CB 3.11Å; E226-A230 PolarHBondContact O-N 2.83Å; I227-A230 PolarHBondContact O-N 2.96Å; A228-A230 VanDerWaalsContact C-N 3.34Å; A228-A230 PolarHBondContact O-N 3.22Å
231I89.8Confident92.2Very high47 Ų4754 Ų5424%0.24133%0.334CS..THydrogen-bonded Turntrans-93.211.6176.669174.3000113.6I227 A228 L229 L233 I299 L493 L509I227-I231 PolarHBondContact O-N 3.4Å; I227-I231 VanDerWaalsContact O-N 3.11Å; A228-I231 VanDerWaalsContact O-CG1 3.32Å; A228-I231 WeakPolarHBondContact O-CG1 3.31Å; A228-I231 PolarHBondContact O-N 2.92Å; L229-I231 VanDerWaalsContact C-N 3.26Å; L229-I231 PolarHBondContact O-N 2.96Å; I231-L233 HydrophobicContact CD1-CD1 3.81Å; I231-L233 HydrophobicContact CD1-CG 4.41Å; I231-L233 HydrophobicContact CG1-CD1 4.02Å; I231-L233 HydrophobicContact CG1-CG 4.19Å; I231-I299 HydrophobicContact CD1-CD1 4.21Å; I231-L493 HydrophobicContact CD1-CD1 3.83Å; I231-L493 HydrophobicContact CD1-CD2 4.16Å; I231-L509 HydrophobicContact CD1-CD1 4.31Å; I231-L509 WeakPolarHBondContact O-CD2 3.38Å
232G91.6Very high92.5Very high41 Ų4155.5 Ų55.542%0.42335%0.354SS..THydrogen-bonded Turntrans84.316.8173.800000115.8A228 L229 R255A228-G232 PolarHBondContact O-N 3.38Å; L229-G232 PolarHBondContact O-N 2.85Å; L229-G232 VanDerWaalsContact O-N 3.1Å; G232-R255 PolarHBondContact O-NH2 3.35Å
233L94Very high92.9Very high4 Ų459.3 Ų59.32%0.02136%0.362CS..  trans-84.4141.5169.8-66165.8000110.7A228 I231 E237 T238 I248 V252 L493 L509A228-L233 HydrophobicContact CB-CB 4.16Å; A228-L233 HydrophobicContact CB-CD1 4.09Å; A228-L233 VanDerWaalsContact O-CB 3.31Å; A228-L233 WeakPolarHBondContact O-CB 3.32Å; A228-L233 PolarHBondContact O-N 3Å; I231-L233 HydrophobicContact CD1-CD1 3.81Å; I231-L233 HydrophobicContact CD1-CG 4.41Å; I231-L233 HydrophobicContact CG1-CD1 4.02Å; I231-L233 HydrophobicContact CG1-CG 4.19Å; L233-E237 HydrophobicContact CD2-CB 4.41Å; L233-T238 HydrophobicContact CB-CG2 3.75Å; L233-T238 HydrophobicContact CD1-CG2 3.88Å; L233-T238 HydrophobicContact CG-CG2 4.37Å; L233-I248 HydrophobicContact CD1-CD1 3.57Å; L233-I248 HydrophobicContact CD1-CG1 4.24Å; L233-I248 HydrophobicContact CD1-CG2 4.36Å; L233-I248 HydrophobicContact CD2-CG2 3.87Å; L233-V252 HydrophobicContact CD2-CG1 4.26Å; L233-V252 HydrophobicContact CD2-CG2 3.59Å; L233-L493 HydrophobicContact CD1-CD2 4.05Å; L233-L509 HydrophobicContact CD1-CD1 4.45Å; L233-L509 HydrophobicContact CD2-CD1 3.99Å; L233-L509 HydrophobicContact CD2-CD2 3.89Å; L233-L509 HydrophobicContact CG-CD1 4.14Å; L233-L509 HydrophobicContact CG-CD2 4.12Å
234T95Very high92.8Very high57 Ų5760.6 Ų60.635%0.3536%0.362SS..  trans-86.3157.1173.8660000111.3A236 E237 T238T234-A236 PolarHBondContact O-N 3.48Å; T234-A236 VanDerWaalsContact O-N 3.14Å; T234-E237 PolarHBondContact N-OE2 3.3Å; T234-E237 PolarHBondContact O-N 2.86Å; T234-E237 VanDerWaalsContact OG1-CG 3.26Å; T234-E237 WeakPolarHBondContact OG1-CG 3.23Å; T234-E237 PolarHBondContact OG1-N 3.22Å; T234-E237 PolarHBondContact OG1-OE2 3.03Å; T234-T238 PolarHBondContact O-N 3.01Å; T234-T238 PolarHBondContact O-OG1 3.21Å
235P93.8Very high92.8Very high97 Ų9761.8 Ų61.863%0.6337%0.367SS*.G310 helixtrans-55.7-30.7174-27.936.2000113.8L229 E237 T238L229-P235 HydrophobicContact CD2-CG 4.27Å; P235-E237 VanDerWaalsContact C-N 3.29Å; P235-E237 PolarHBondContact O-N 3.32Å; P235-T238 PolarHBondContact O-N 3.17Å; P235-T238 VanDerWaalsContact O-O 3.08Å; P235-T238 PolarHBondContact O-OG1 3.48Å
236A95.1Very high92.9Very high98 Ų9859.2 Ų59.281%0.8135%0.351SS*.G310 helixtrans-73.5-19.4177.700000113.6T234T234-A236 PolarHBondContact O-N 3.48Å; T234-A236 VanDerWaalsContact O-N 3.14Å
237E95.4Very high93.1Very high16 Ų1653.5 Ų53.58%0.07533%0.325CS..G310 helixtrans-95.2-1.4179.2-68.9166.2141.600112.6L233 T234 P235 I248 S249 V252 R255L233-E237 HydrophobicContact CD2-CB 4.41Å; T234-E237 PolarHBondContact N-OE2 3.3Å; T234-E237 PolarHBondContact O-N 2.86Å; T234-E237 VanDerWaalsContact OG1-CG 3.26Å; T234-E237 WeakPolarHBondContact OG1-CG 3.23Å; T234-E237 PolarHBondContact OG1-N 3.22Å; T234-E237 PolarHBondContact OG1-OE2 3.03Å; P235-E237 VanDerWaalsContact C-N 3.29Å; P235-E237 PolarHBondContact O-N 3.32Å; E237-I248 WeakPolarHBondContact O-CA 3.22Å; E237-S249 PolarHBondContact O-N 2.85Å; E237-V252 HydrophobicContact CB-CG2 3.89Å; E237-V252 HydrophobicContact CG-CG2 3.91Å; E237-R255 IonicContact OE1-CZ 3.43Å; E237-R255 IonicContact OE1-NE 2.97Å; E237-R255 PolarHBondContact OE1-NE 3.13Å; E237-R255 IonicContact OE1-NH2 2.94Å; E237-R255 PolarHBondContact OE1-NH2 3.05Å; E237-R255 IonicContact OE2-CZ 3.77Å; E237-R255 IonicContact OE2-NE 2.86Å; E237-R255 IonicContact OE2-NH2 3.91Å; E237-R255 PolarHBondContact OE2-NH2 3.16Å
238T94.4Very high93.3Very high19 Ų1952 Ų5212%0.11732%0.317CS..EExtended strand (participates in β ladder)trans-123.3128.8-176.357.90000110.5A228 L233 T234 P235 I248A228-T238 HydrophobicContact CB-CG2 3.55Å; L233-T238 HydrophobicContact CB-CG2 3.75Å; L233-T238 HydrophobicContact CD1-CG2 3.88Å; L233-T238 HydrophobicContact CG-CG2 4.37Å; T234-T238 PolarHBondContact O-N 3.01Å; T234-T238 PolarHBondContact O-OG1 3.21Å; P235-T238 PolarHBondContact O-N 3.17Å; P235-T238 VanDerWaalsContact O-O 3.08Å; P235-T238 PolarHBondContact O-OG1 3.48Å; T238-I248 HydrophobicContact CG2-CD1 3.8Å
239E95.8Very high93.5Very high83 Ų8352.6 Ų52.639%0.38832%0.321SS..EExtended strand (participates in β ladder)trans-118.398.9178.1-176.5171.8-175.900108.7Y241 A246 K247 R490E239-Y241 HydrophobicContact CG-CE2 4.17Å; E239-Y241 VanDerWaalsContact O-CD2 3.28Å; E239-Y241 WeakPolarHBondContact O-CD2 3.35Å; E239-A246 CarbonylContact O-C 3.57Å; E239-A246 WeakPolarHBondContact O-CA 3.4Å; E239-A246 WeakPolarHBondContact O-CB 3.4Å; E239-K247 HydrophobicContact CB-CB 4.25Å; E239-K247 PolarHBondContact N-O 2.99Å; E239-K247 PolarHBondContact O-N 3.28Å; E239-R490 IonicContact OE2-NH1 2.77Å; E239-R490 PolarHBondContact OE2-NH1 2.97Å
240P94.3Very high93.6Very high67 Ų6748.9 Ų48.944%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-67.6136.1-175.5-22.734.5000113.7I224 T225I224-P240 HydrophobicContact CG2-CB 4.48Å; T225-P240 HydrophobicContact CG2-CG 3.75Å
241Y93.8Very high93.9Very high69 Ų6949.4 Ų49.427%0.27129%0.292SS..SBendtrans-111.373171.9-79.2-110.9000108.6E239 K245 K247 T336E239-Y241 HydrophobicContact CG-CE2 4.17Å; E239-Y241 VanDerWaalsContact O-CD2 3.28Å; E239-Y241 WeakPolarHBondContact O-CD2 3.35Å; Y241-K245 PolarHBondContact N-O 3.39Å; Y241-K245 WeakPolarHBondContact O-CE 3.34Å; Y241-K245 WeakPolarHBondContact O-CG 3.22Å; Y241-K245 PolarHBondContact O-NZ 3.37Å; Y241-K247 HydrophobicContact CD2-CB 4.41Å; Y241-K247 HydrophobicContact CD2-CG 3.99Å; Y241-K247 HydrophobicContact CE2-CB 3.82Å; Y241-K247 HydrophobicContact CE2-CG 3.34Å; Y241-T336 HydrophobicContact CD1-CG2 4.16Å; Y241-T336 HydrophobicContact CD2-CG2 4.21Å; Y241-T336 HydrophobicContact CG-CG2 3.95Å
242G92.7Very high94.2Very high55 Ų5547.1 Ų47.157%0.56728%0.281SS*.SBendtrans81.2-157.4-167.100000111.8
243K91.8Very high94.3Very high143 Ų14346.9 Ų46.962%0.62227%0.269SS*.SBendtrans-84.1-25.9-170.1-66.1-175.2179.6-178.50114.7I224I224-K243 WeakPolarHBondContact CG2-O 3.42Å; I224-K243 PolarHBondContact N-O 3.2Å
244Y91.6Very high94.3Very high67 Ų6751.9 Ų51.926%0.26330%0.296SS..SBendtrans-120.84.4-162.5-51.8-55.5000114.9P221 P327P221-Y244 HydrophobicContact CB-CD1 3.74Å; P221-Y244 HydrophobicContact CB-CE1 3.84Å; P221-Y244 HydrophobicContact CB-CG 4.31Å; P221-Y244 HydrophobicContact CG-CD1 4.35Å; P221-Y244 HydrophobicContact CG-CE1 4.2Å; P221-Y244 WeakPolarHBondContact O-CE1 3.28Å; Y244-P327 HydrophobicContact CD2-CG 3.73Å; Y244-P327 HydrophobicContact CE2-CG 4.46Å; Y244-P327 HydrophobicContact CG-CG 4Å
245K93.2Very high94.3Very high26 Ų2653.8 Ų53.811%0.11330%0.297CS..  trans-149.3147.4179.558.6-176.3-176.1-55.60111Y241 E330 L335 T336 L493 M494Y241-K245 PolarHBondContact N-O 3.39Å; Y241-K245 WeakPolarHBondContact O-CE 3.34Å; Y241-K245 WeakPolarHBondContact O-CG 3.22Å; Y241-K245 PolarHBondContact O-NZ 3.37Å; K245-E330 WeakPolarHBondContact CD-OE2 3.28Å; K245-E330 WeakPolarHBondContact CE-OE2 3.34Å; K245-E330 IonicContact NZ-OE1 2.77Å; K245-E330 IonicContact NZ-OE2 3.78Å; K245-E330 PolarHBondContact NZ-OE2 2.95Å; K245-L335 HydrophobicContact CD-CD1 4.39Å; K245-L335 WeakPolarHBondContact CE-O 3.39Å; K245-T336 HydrophobicContact CD-CG2 4.39Å; K245-L493 CarbonylContact C-O 3.52Å; K245-L493 VanDerWaalsContact CA-O 3.3Å; K245-L493 WeakPolarHBondContact CA-O 3.42Å; K245-M494 HydrophobicContact CB-CE 4.38Å; K245-M494 HydrophobicContact CB-CG 3.57Å; K245-M494 HydrophobicContact CB-SD 4.13Å
246A94.4Very high94.3Very high1 Ų149.9 Ų49.91%0.00827%0.271CS..EExtended strand (participates in β ladder)trans-146.8152.3-179.900000110.9I224 E239 T492 L493I224-A246 HydrophobicContact CG1-CB 3.91Å; I224-A246 HydrophobicContact CG2-CB 4.07Å; E239-A246 CarbonylContact O-C 3.57Å; E239-A246 WeakPolarHBondContact O-CA 3.4Å; E239-A246 WeakPolarHBondContact O-CB 3.4Å; A246-T492 CarbonylContact O-C 3.59Å; A246-T492 WeakPolarHBondContact O-CA 3.37Å; A246-L493 PolarHBondContact N-O 2.91Å; A246-L493 PolarHBondContact O-N 3.23Å
247K95.6Very high94.2Very high2 Ų250.6 Ų50.61%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-87.8140.9167.1-78.8-87.9175.8173.90109.7E239 Y241 T336 D338 D487 A488 R490 P491 T492E239-K247 HydrophobicContact CB-CB 4.25Å; E239-K247 PolarHBondContact N-O 2.99Å; E239-K247 PolarHBondContact O-N 3.28Å; Y241-K247 HydrophobicContact CD2-CB 4.41Å; Y241-K247 HydrophobicContact CD2-CG 3.99Å; Y241-K247 HydrophobicContact CE2-CB 3.82Å; Y241-K247 HydrophobicContact CE2-CG 3.34Å; K247-T336 WeakPolarHBondContact CE-OG1 3.29Å; K247-T336 HydrophobicContact CG-CG2 4.35Å; K247-D338 VanDerWaalsContact CE-OD1 3.23Å; K247-D338 WeakPolarHBondContact CE-OD1 3.35Å; K247-D338 IonicContact NZ-OD1 2.72Å; K247-D338 PolarHBondContact NZ-OD1 3.47Å; K247-D338 IonicContact NZ-OD2 2.67Å; K247-D338 PolarHBondContact NZ-OD2 3.34Å; K247-D487 WeakPolarHBondContact CD-O 3.44Å; K247-D487 WeakPolarHBondContact CE-O 3.47Å; K247-D487 PolarHBondContact NZ-O 2.95Å; K247-A488 PolarHBondContact NZ-O 2.93Å; K247-R490 HydrophobicContact CB-CB 4.44Å; K247-R490 HydrophobicContact CD-CB 3.73Å; K247-R490 VanDerWaalsContact CD-O 3.27Å; K247-R490 WeakPolarHBondContact CD-O 3.37Å; K247-R490 PolarHBondContact NZ-O 2.88Å; K247-P491 WeakPolarHBondContact CA-O 3.34Å; K247-T492 WeakPolarHBondContact CE-OG1 3.34Å
248I95.5Very high94.1Very high7 Ų756.6 Ų56.64%0.03629%0.289CS..EExtended strand (participates in β ladder)trans-104.3129.8-179.6-54-48.3000110.7L233 E237 T238 V252 R490 P491 L493 I505L233-I248 HydrophobicContact CD1-CD1 3.57Å; L233-I248 HydrophobicContact CD1-CG1 4.24Å; L233-I248 HydrophobicContact CD1-CG2 4.36Å; L233-I248 HydrophobicContact CD2-CG2 3.87Å; E237-I248 WeakPolarHBondContact O-CA 3.22Å; T238-I248 HydrophobicContact CG2-CD1 3.8Å; I248-V252 HydrophobicContact CG2-CG2 3.95Å; I248-R490 VanDerWaalsContact O-CB 3.28Å; I248-R490 WeakPolarHBondContact O-CB 3.4Å; I248-P491 PolarHBondContact N-O 3.35Å; I248-L493 HydrophobicContact CD1-CB 3.56Å; I248-L493 HydrophobicContact CD1-CD2 4.05Å; I248-L493 HydrophobicContact CD1-CG 4.4Å; I248-L493 HydrophobicContact CG1-CB 3.71Å; I248-I505 HydrophobicContact CG2-CG2 4.18Å
249S95.5Very high94Very high14 Ų1457.2 Ų57.210%0.09829%0.292CS..  trans-63.6143.5176.7-174.70000111.5E237 D251 V252E237-S249 PolarHBondContact O-N 2.85Å; S249-D251 PolarHBondContact O-N 3.07Å; S249-D251 PolarHBondContact OG-N 3.47Å; S249-D251 PolarHBondContact OG-OD2 2.82Å; S249-D251 VanDerWaalsContact OG-OD2 3.05Å; S249-V252 VanDerWaalsContact O-CG2 3.28Å; S249-V252 WeakPolarHBondContact O-CG2 3.3Å
250L94.6Very high93.9Very high26 Ų2661 Ų6114%0.13631%0.307CS..THydrogen-bonded Turntrans-72.4-14.7172.7-54.5-172.1000112.3V252 L253 L449 I489 R490 L501 I505L250-V252 PolarHBondContact O-N 3.4Å; L250-V252 VanDerWaalsContact O-N 3.15Å; L250-L253 WeakPolarHBondContact O-CB 3.42Å; L250-L253 PolarHBondContact O-N 3.05Å; L250-L449 HydrophobicContact CD1-CG 4.25Å; L250-I489 HydrophobicContact CD1-CG1 4.42Å; L250-I489 HydrophobicContact CD1-CG2 4.37Å; L250-R490 HydrophobicContact CD2-CG 4.48Å; L250-R490 HydrophobicContact CG-CG 4.37Å; L250-L501 HydrophobicContact CD1-CD1 4.01Å; L250-L501 HydrophobicContact CD2-CB 4.4Å; L250-L501 HydrophobicContact CD2-CD1 3.93Å; L250-L501 HydrophobicContact CD2-CD2 4.12Å; L250-L501 HydrophobicContact CD2-CG 4.38Å; L250-I505 HydrophobicContact CD2-CD1 4.04Å
251D94.7Very high93.8Very high98 Ų9860.1 Ų60.152%0.52430%0.299SS..Hα-helixtrans-62.7-19.1177.1-63.7-40.3000112.9S249 L253 N254 R255S249-D251 PolarHBondContact O-N 3.07Å; S249-D251 PolarHBondContact OG-N 3.47Å; S249-D251 PolarHBondContact OG-OD2 2.82Å; S249-D251 VanDerWaalsContact OG-OD2 3.05Å; D251-L253 PolarHBondContact O-N 3.5Å; D251-N254 WeakPolarHBondContact O-CB 3.3Å; D251-N254 PolarHBondContact O-N 2.79Å; D251-R255 PolarHBondContact O-N 2.8Å
252V95Very high93.8Very high0 Ų057.1 Ų57.10%029%0.29CS..Hα-helixtrans-54.4-39.1171.6178.20000110.8L233 E237 I248 S249 L250 N254 R255 L256 I505 L509L233-V252 HydrophobicContact CD2-CG1 4.26Å; L233-V252 HydrophobicContact CD2-CG2 3.59Å; E237-V252 HydrophobicContact CB-CG2 3.89Å; E237-V252 HydrophobicContact CG-CG2 3.91Å; I248-V252 HydrophobicContact CG2-CG2 3.95Å; S249-V252 VanDerWaalsContact O-CG2 3.28Å; S249-V252 WeakPolarHBondContact O-CG2 3.3Å; L250-V252 PolarHBondContact O-N 3.4Å; L250-V252 VanDerWaalsContact O-N 3.15Å; V252-N254 VanDerWaalsContact C-N 3.33Å; V252-N254 PolarHBondContact O-N 3.33Å; V252-R255 PolarHBondContact O-N 2.77Å; V252-L256 HydrophobicContact CG1-CD1 3.69Å; V252-L256 HydrophobicContact CG1-CG 4.32Å; V252-L256 WeakPolarHBondContact O-CB 3.48Å; V252-L256 WeakPolarHBondContact O-CG 3.48Å; V252-L256 PolarHBondContact O-N 3.49Å; V252-I505 HydrophobicContact CB-CG2 4.43Å; V252-I505 HydrophobicContact CG1-CG2 3.99Å; V252-L509 HydrophobicContact CG1-CD2 4.12Å; V252-L509 HydrophobicContact CG1-CG 4.38Å
253L93.8Very high94Very high35 Ų3557.2 Ų57.218%0.18327%0.274CS..Hα-helixtrans-67.1-34.2177.7-67.3177.2000112.5L250 D251 N257 L501 L504 I505 K508L250-L253 WeakPolarHBondContact O-CB 3.42Å; L250-L253 PolarHBondContact O-N 3.05Å; D251-L253 PolarHBondContact O-N 3.5Å; L253-N257 WeakPolarHBondContact O-CA 3.48Å; L253-N257 WeakPolarHBondContact O-CB 3.29Å; L253-N257 PolarHBondContact O-N 2.76Å; L253-N257 VanDerWaalsContact O-N 3.1Å; L253-L501 HydrophobicContact CD1-CD2 3.54Å; L253-L504 HydrophobicContact CD1-CB 4.42Å; L253-L504 HydrophobicContact CD2-CB 3.89Å; L253-I505 HydrophobicContact CD1-CG1 4.17Å; L253-I505 HydrophobicContact CD2-CB 4.47Å; L253-I505 HydrophobicContact CD2-CG1 3.69Å; L253-I505 HydrophobicContact CG-CD1 4.39Å; L253-I505 HydrophobicContact CG-CG1 3.64Å; L253-K508 HydrophobicContact CD2-CG 4.24Å
254N93.8Very high94.1Very high110 Ų11050.6 Ų50.659%0.58825%0.245SC*.Hα-helixtrans-69.6-45.4175.6-65.1-35000110.3D251 V252 N257D251-N254 WeakPolarHBondContact O-CB 3.3Å; D251-N254 PolarHBondContact O-N 2.79Å; V252-N254 VanDerWaalsContact C-N 3.33Å; V252-N254 PolarHBondContact O-N 3.33Å; N254-N257 PolarHBondContact O-ND2 3.04Å
255R95.2Very high94.4Very high96 Ų9647.4 Ų47.436%0.36223%0.233SC..Hα-helixtrans-62.6-44.7178.7-179.817262.193.7-10.5111.9G232 E237 D251 V252 H258G232-R255 PolarHBondContact O-NH2 3.35Å; E237-R255 IonicContact OE1-CZ 3.43Å; E237-R255 IonicContact OE1-NE 2.97Å; E237-R255 PolarHBondContact OE1-NE 3.13Å; E237-R255 IonicContact OE1-NH2 2.94Å; E237-R255 PolarHBondContact OE1-NH2 3.05Å; E237-R255 IonicContact OE2-CZ 3.77Å; E237-R255 IonicContact OE2-NE 2.86Å; E237-R255 IonicContact OE2-NH2 3.91Å; E237-R255 PolarHBondContact OE2-NH2 3.16Å; D251-R255 PolarHBondContact O-N 2.8Å; V252-R255 PolarHBondContact O-N 2.77Å; R255-H258 PolarHBondContact O-CE1 2.9Å; R255-H258 PolarHBondContact O-ND1 3.4Å; R255-H258 VanDerWaalsContact O-ND1 3.08Å
256L94.3Very high94.6Very high16 Ų1646.1 Ų46.18%0.08423%0.227CC..THydrogen-bonded Turntrans-98.516-173.2-58.1179.1000113.5V252 H258 V259 K508 L509V252-L256 HydrophobicContact CG1-CD1 3.69Å; V252-L256 HydrophobicContact CG1-CG 4.32Å; V252-L256 WeakPolarHBondContact O-CB 3.48Å; V252-L256 WeakPolarHBondContact O-CG 3.48Å; V252-L256 PolarHBondContact O-N 3.49Å; L256-H258 PolarHBondContact O-N 3.08Å; L256-H258 VanDerWaalsContact O-N 3.11Å; L256-V259 HydrophobicContact CB-CB 4.42Å; L256-V259 HydrophobicContact CB-CG2 4.19Å; L256-V259 HydrophobicContact CD2-CG2 3.91Å; L256-V259 WeakPolarHBondContact O-CB 3.3Å; L256-V259 PolarHBondContact O-N 3.02Å; L256-K508 HydrophobicContact CB-CB 3.77Å; L256-K508 HydrophobicContact CB-CG 4.24Å; L256-K508 HydrophobicContact CD1-CB 3.92Å; L256-K508 WeakPolarHBondContact O-CD 3.43Å; L256-L509 HydrophobicContact CD1-CD2 3.71Å; L256-L509 HydrophobicContact CD1-CG 4.22Å
257N92.4Very high94.7Very high112 Ų11246.1 Ų46.160%0.59923%0.227SC*.THydrogen-bonded Turntrans-55.1-33.5-178.966.52.7000113.3L253 N254L253-N257 WeakPolarHBondContact O-CA 3.48Å; L253-N257 WeakPolarHBondContact O-CB 3.29Å; L253-N257 PolarHBondContact O-N 2.76Å; L253-N257 VanDerWaalsContact O-N 3.1Å; N254-N257 PolarHBondContact O-ND2 3.04Å
258H93.2Very high94.8Very high143 Ų14346 Ų4666%0.66223%0.227SC*.THydrogen-bonded Turntrans-79.8-17.7-17864.8-83.1000113.2R255 L256R255-H258 PolarHBondContact O-CE1 2.9Å; R255-H258 PolarHBondContact O-ND1 3.4Å; R255-H258 VanDerWaalsContact O-ND1 3.08Å; L256-H258 PolarHBondContact O-N 3.08Å; L256-H258 VanDerWaalsContact O-N 3.11Å
259V93.2Very high94.9Very high32 Ų3245.7 Ų45.719%0.19423%0.225CC..SBendtrans-76.3132.5179.6-1790000109.1L256 K508L256-V259 HydrophobicContact CB-CB 4.42Å; L256-V259 HydrophobicContact CB-CG2 4.19Å; L256-V259 HydrophobicContact CD2-CG2 3.91Å; L256-V259 WeakPolarHBondContact O-CB 3.3Å; L256-V259 PolarHBondContact O-N 3.02Å; V259-K508 HydrophobicContact CB-CD 4.49Å; V259-K508 WeakPolarHBondContact O-CD 3.27Å; V259-K508 PolarHBondContact O-NZ 3.27Å
260K92.9Very high94.9Very high161 Ų16145 Ų4570%0.722%0.22SC*.PPolyproline II helixtrans-70137.7174.5-177.3-176.3175.4-174.30109.4P512K260-P512 HydrophobicContact CB-CG 4.17Å
261N93.8Very high94.9Very high49 Ų4943.8 Ų43.826%0.26221%0.214SC..PPolyproline II helixtrans-61.3141175.5-658.2000110.2L507 K508N261-L507 WeakPolarHBondContact CA-O 3.45Å; N261-L507 HydrophobicContact CB-CB 4.11Å; N261-L507 HydrophobicContact CB-CD2 4.49Å; N261-K508 WeakPolarHBondContact OD1-CD 2.91Å; N261-K508 VanDerWaalsContact OD1-CE 3.22Å; N261-K508 WeakPolarHBondContact OD1-CE 3.49Å; N261-K508 PolarHBondContact OD1-NZ 2.98Å
262G93.7Very high94.8Very high7 Ų739.9 Ų39.97%0.07219%0.194CC..  trans-76.3-159.7165.700000112.7L507 I510 E511G262-L507 PolarHBondContact N-O 2.92Å; G262-I510 VanDerWaalsContact CA-CD1 3.5Å; G262-E511 VanDerWaalsContact CA-O 3.26Å; G262-E511 WeakPolarHBondContact CA-O 3.38Å
263K95.2Very high94.5Very high56 Ų5640.5 Ų40.524%0.24320%0.198CC..EExtended strand (participates in β ladder)trans-83135.2-172.5-62.9-60.4-172.1161.20112.3G514 F515 V516 D544 C656K263-G514 WeakPolarHBondContact CB-O 3.47Å; K263-G514 PolarHBondContact N-O 3.38Å; K263-F515 HydrophobicContact CB-CD1 3.61Å; K263-F515 HydrophobicContact CB-CE1 3.8Å; K263-F515 HydrophobicContact CB-CG 4.26Å; K263-F515 HydrophobicContact CG-CD1 4.31Å; K263-F515 HydrophobicContact CG-CE1 4.03Å; K263-F515 HydrophobicContact CG-CZ 4.43Å; K263-F515 CarbonylContact O-C 3.45Å; K263-F515 WeakPolarHBondContact O-CA 3.39Å; K263-V516 PolarHBondContact O-N 3Å; K263-D544 WeakPolarHBondContact CA-OD2 3.4Å; K263-D544 HydrophobicContact CD-CB 4.25Å; K263-D544 VanDerWaalsContact CD-OD1 3.26Å; K263-D544 WeakPolarHBondContact CD-OD1 3.45Å; K263-D544 IonicContact NZ-OD1 3.13Å; K263-D544 PolarHBondContact NZ-OD1 3.22Å; K263-C656 HydrophobicContact CB-CB 4.44Å; K263-C656 HydrophobicContact CD-CB 4.11Å; K263-C656 HydrophobicContact CG-CB 4.21Å; K263-C656 PolarHBondContact NZ-O 3.45Å
264Y95.4Very high93.9Very high4 Ų443.9 Ų43.92%0.01622%0.222CC..EExtended strand (participates in β ladder)trans-109.8111.2-178.1-169.5-149.1000111.4D503 L507 V516 T518 F531 L541 P543 D544Y264-D503 HydrophobicContact CE2-CB 4.23Å; Y264-D503 PolarHBondContact OH-OD2 3.09Å; Y264-L507 HydrophobicContact CD2-CD1 4.37Å; Y264-L507 HydrophobicContact CD2-CD2 4.47Å; Y264-L507 HydrophobicContact CG-CD1 4.26Å; Y264-L507 HydrophobicContact CG-CD2 4.47Å; Y264-V516 HydrophobicContact CD2-CB 4.23Å; Y264-V516 HydrophobicContact CD2-CG1 4.11Å; Y264-V516 HydrophobicContact CE2-CG1 4.21Å; Y264-T518 HydrophobicContact CD2-CG2 4.31Å; Y264-T518 HydrophobicContact CE2-CG2 3.35Å; Y264-F531 HydrophobicContact CD1-CZ 4.46Å; Y264-F531 HydrophobicContact CE1-CE1 4.43Å; Y264-F531 HydrophobicContact CE1-CE2 4.25Å; Y264-F531 AromaticContact CE1-CZ 3.52Å; Y264-F531 HydrophobicContact CE1-CZ 3.52Å; Y264-F531 AromaticContact CZ-CE2 3.89Å; Y264-F531 AromaticContact CZ-CZ 3.57Å; Y264-F531 WeakPolarHBondContact OH-CE2 3.22Å; Y264-F531 WeakPolarHBondContact OH-CZ 3.22Å; Y264-L541 HydrophobicContact CD1-CB 4.03Å; Y264-L541 HydrophobicContact CD1-CD1 4.39Å; Y264-L541 HydrophobicContact CE1-CB 3.83Å; Y264-L541 HydrophobicContact CE1-CD1 3.92Å; Y264-P543 HydrophobicContact CD1-CB 4.39Å; Y264-P543 CarbonylContact O-C 3.57Å; Y264-P543 VanDerWaalsContact O-CA 3.3Å; Y264-P543 WeakPolarHBondContact O-CA 3.18Å; Y264-D544 PolarHBondContact N-OD2 3.34Å; Y264-D544 PolarHBondContact O-N 3.26Å
265V96.7Very high93.1Very high0 Ų042.3 Ų42.30%021%0.211CC..EExtended strand (participates in β ladder)trans-112.5130.8-176.3-177.60000109.5L286 F515 V516 V517 T518 A545 V547 V652V265-L286 HydrophobicContact CG1-CD2 4.32Å; V265-F515 HydrophobicContact CG2-CD1 4.04Å; V265-V516 PolarHBondContact N-O 3.19Å; V265-V517 HydrophobicContact CB-CG2 4.42Å; V265-V517 WeakPolarHBondContact O-CA 3.3Å; V265-T518 PolarHBondContact O-N 3.07Å; V265-A545 WeakPolarHBondContact CA-O 3.34Å; V265-V547 HydrophobicContact CG1-CG2 4.07Å; V265-V652 HydrophobicContact CB-CG1 4.45Å; V265-V652 HydrophobicContact CG1-CG1 3.94Å; V265-V652 HydrophobicContact CG2-CG1 3.68Å
266L97.4Very high92.6Very high0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-105.2131.7173.8177.274000111.2T518 A520 F528 F531 A545 V546 V547L266-T518 CarbonylContact C-O 3.59Å; L266-T518 WeakPolarHBondContact CA-O 3.37Å; L266-T518 HydrophobicContact CD1-CG2 3.76Å; L266-A520 HydrophobicContact CD1-CB 3.97Å; L266-F528 HydrophobicContact CD2-CB 4.5Å; L266-F528 HydrophobicContact CD2-CD2 3.44Å; L266-F528 VanDerWaalsContact CD2-CD2 3.44Å; L266-F528 HydrophobicContact CD2-CE2 4.15Å; L266-F528 HydrophobicContact CD2-CG 4.44Å; L266-F531 HydrophobicContact CB-CE1 4.26Å; L266-F531 HydrophobicContact CB-CZ 4.24Å; L266-F531 HydrophobicContact CD1-CD1 4.34Å; L266-F531 HydrophobicContact CD1-CD2 3.71Å; L266-F531 HydrophobicContact CD1-CE1 4.3Å; L266-F531 HydrophobicContact CD1-CE2 3.68Å; L266-F531 HydrophobicContact CD1-CG 4.05Å; L266-F531 HydrophobicContact CD1-CZ 3.97Å; L266-F531 HydrophobicContact CD2-CB 4.4Å; L266-F531 HydrophobicContact CD2-CD1 3.6Å; L266-F531 HydrophobicContact CD2-CD2 4.39Å; L266-F531 HydrophobicContact CD2-CE1 3.86Å; L266-F531 HydrophobicContact CD2-CG 3.88Å; L266-F531 HydrophobicContact CD2-CZ 4.36Å; L266-F531 HydrophobicContact CG-CD1 4.45Å; L266-F531 HydrophobicContact CG-CE1 4.37Å; L266-F531 HydrophobicContact CG-CZ 4.41Å; L266-A545 PolarHBondContact N-O 3.44Å; L266-V546 HydrophobicContact CB-CG2 4.3Å; L266-V546 HydrophobicContact CD2-CG2 4.38Å; L266-V546 CarbonylContact O-C 3.12Å; L266-V546 VanDerWaalsContact O-CA 3.28Å; L266-V546 WeakPolarHBondContact O-CA 3.48Å; L266-V547 PolarHBondContact O-N 3.45Å
267V98.1Very high92.4Very high0 Ų038.9 Ų38.90%021%0.207CC..EExtended strand (participates in β ladder)trans-99129.9167-172.70000110T283 L286 V517 T518 E519 A520 V547 V549V267-T283 WeakPolarHBondContact CB-OG1 3.5Å; V267-T283 WeakPolarHBondContact CG1-OG1 3.29Å; V267-T283 HydrophobicContact CG2-CG2 4.29Å; V267-L286 HydrophobicContact CG2-CD2 4.36Å; V267-V517 HydrophobicContact CG2-CG1 3.55Å; V267-T518 PolarHBondContact N-O 3.49Å; V267-E519 HydrophobicContact CB-CB 4.48Å; V267-E519 VanDerWaalsContact O-CA 3.26Å; V267-E519 WeakPolarHBondContact O-CA 3.15Å; V267-A520 PolarHBondContact O-N 3.47Å; V267-V547 WeakPolarHBondContact CA-O 3.4Å; V267-V547 HydrophobicContact CG1-CB 4.49Å; V267-V547 HydrophobicContact CG2-CB 4.2Å; V267-V549 HydrophobicContact CG1-CG2 3.63Å
268T97.5Very high92.3Very high0 Ų034.8 Ų34.80%019%0.191CC..EExtended strand (participates in β ladder)trans-141.1-174.3176.9-172.60000109.1V524 V546 V547 L548 V549T268-V524 HydrophobicContact CG2-CG2 3.41Å; T268-V524 VanDerWaalsContact CG2-CG2 3.41Å; T268-V546 HydrophobicContact CG2-CG1 3.57Å; T268-V547 PolarHBondContact N-O 2.96Å; T268-L548 HydrophobicContact CG2-CD1 4.13Å; T268-V549 WeakPolarHBondContact O-CG2 3.33Å; T268-V549 PolarHBondContact O-N 3.46Å
269S96.9Very high92.3Very high0 Ų029.5 Ų29.50%017%0.166CC..EExtended strand (participates in β ladder)trans-137.4171.3177.163.40000113.2K279 F522 G523 V524 L548 V549S269-K279 WeakPolarHBondContact OG-CD 3.21Å; S269-K279 PolarHBondContact OG-NZ 3.39Å; S269-F522 PolarHBondContact OG-O 3.14Å; S269-F522 VanDerWaalsContact OG-O 3.1Å; S269-G523 CarbonylContact O-C 3.52Å; S269-G523 WeakPolarHBondContact O-CA 3.37Å; S269-V524 PolarHBondContact O-N 3.5Å; S269-L548 WeakPolarHBondContact O-CD1 3.15Å; S269-V549 VanDerWaalsContact CA-O 3.32Å; S269-V549 WeakPolarHBondContact CA-O 3.26Å; S269-V549 WeakPolarHBondContact CB-O 3.44Å
270M95.4Very high92.3Very high0 Ų029.3 Ų29.30%017%0.167CC..SBendtrans-60.1177.8156.367.4179.3-67.200111.8P272 I277 G523 V549 V550 A554 L555 Q558 N587 H591M270-P272 WeakPolarHBondContact O-CD 3.24Å; M270-I277 HydrophobicContact CG-CD1 3.82Å; M270-G523 WeakPolarHBondContact O-CA 3.45Å; M270-V549 PolarHBondContact N-O 2.85Å; M270-V550 HydrophobicContact CB-CG1 4.09Å; M270-V550 HydrophobicContact CG-CB 4.49Å; M270-V550 HydrophobicContact CG-CG1 4.02Å; M270-V550 HydrophobicContact SD-CB 3.86Å; M270-V550 HydrophobicContact SD-CG1 3.79Å; M270-A554 HydrophobicContact CE-CB 4.24Å; M270-A554 HydrophobicContact SD-CB 3.82Å; M270-L555 HydrophobicContact CE-CD2 3.84Å; M270-L555 HydrophobicContact CE-CG 4.33Å; M270-L555 HydrophobicContact SD-CD2 3.89Å; M270-L555 HydrophobicContact SD-CG 4.04Å; M270-Q558 HydrophobicContact CE-CB 4.12Å; M270-Q558 HydrophobicContact CE-CG 3.53Å; M270-N587 WeakPolarHBondContact CB-OD1 3.43Å; M270-N587 HydrophobicContact CE-CB 4.3Å; M270-N587 WeakPolarHBondContact CE-OD1 3.48Å; M270-H591 VanDerWaalsContact CA-CD2 3.5Å; M270-H591 WeakPolarHBondContact CA-CD2 3.27Å
271T95.3Very high92.4Very high0 Ų022.2 Ų22.20%014%0.137CC..SBendtrans-55.5121.3177.1-59.80000109.6N587 H591 L719 L720T271-N587 PolarHBondContact N-OD1 3.33Å; T271-N587 PolarHBondContact OG1-ND2 3.4Å; T271-N587 PolarHBondContact OG1-OD1 3.1Å; T271-H591 PolarHBondContact N-NE2 3.17Å; T271-H591 VanDerWaalsContact N-NE2 3.18Å; T271-H591 PolarHBondContact OG1-NE2 2.95Å; T271-L719 WeakPolarHBondContact CG2-O 3.41Å; T271-L720 WeakPolarHBondContact CG2-O 3.33Å
272P90.9Very high92.5Very high17 Ų1719.9 Ų19.911%0.1112%0.124CC..  trans-53.9144-179.1-26.732.1000113.3M270 F522 L719M270-P272 WeakPolarHBondContact O-CD 3.24Å; P272-F522 HydrophobicContact CG-CB 4.28Å; P272-L719 HydrophobicContact CB-CD1 3.75Å; P272-L719 WeakPolarHBondContact CD-O 3.32Å; P272-L719 HydrophobicContact CG-CD1 4.15Å
273T89.2Confident92.7Very high12 Ų1219.6 Ų19.67%0.07412%0.121CC..  trans-129.1158173.573.80000110.3E275 G276 A554 R557 Q558T273-E275 WeakPolarHBondContact CB-OE2 3.49Å; T273-E275 PolarHBondContact O-N 3.42Å; T273-E275 PolarHBondContact OG1-OE2 2.85Å; T273-G276 PolarHBondContact O-N 2.9Å; T273-G276 VanDerWaalsContact O-N 3.17Å; T273-A554 HydrophobicContact CG2-CB 3.86Å; T273-A554 WeakPolarHBondContact OG1-CA 3.44Å; T273-A554 WeakPolarHBondContact OG1-CB 3.31Å; T273-R557 HydrophobicContact CG2-CB 4.24Å; T273-R557 HydrophobicContact CG2-CG 4.13Å; T273-Q558 HydrophobicContact CG2-CG 4.24Å
274P81.8Confident92.6Very high106 Ų10617.4 Ų17.469%0.68811%0.112SC*.THydrogen-bonded Turntrans-57.8-26.4-179.4-26.236.2000114.8G276P274-G276 PolarHBondContact O-N 2.93Å
275E77.3Confident92.6Very high77 Ų7717.2 Ų17.236%0.3611%0.111SC..THydrogen-bonded Turntrans-69.4-15.5-179.3-57.380.9-177.500113.1T273 A553T273-E275 WeakPolarHBondContact CB-OE2 3.49Å; T273-E275 PolarHBondContact O-N 3.42Å; T273-E275 PolarHBondContact OG1-OE2 2.85Å; E275-A553 HydrophobicContact CB-CB 3.92Å; E275-A553 HydrophobicContact CG-CB 4.17Å
276G83.2Confident92.7Very high32 Ų3217.2 Ų17.233%0.3311%0.111SC..  trans84.8149.4-179.300000113.5T273 P274 T551T273-G276 PolarHBondContact O-N 2.9Å; T273-G276 VanDerWaalsContact O-N 3.17Å; P274-G276 PolarHBondContact O-N 2.93Å; G276-T551 PolarHBondContact O-OG1 3.21Å
277I90.3Very high92.6Very high9 Ų918 Ų185%0.04612%0.116CC..  trans-113.1-29.5-178.4-63.5178.3000112M270 K279 V549 T551 A554 N607M270-I277 HydrophobicContact CG-CD1 3.82Å; I277-K279 HydrophobicContact CG2-CG 4.35Å; I277-V549 HydrophobicContact CG2-CB 3.85Å; I277-V549 HydrophobicContact CG2-CG1 3.53Å; I277-T551 HydrophobicContact CG2-CG2 4.48Å; I277-T551 WeakPolarHBondContact O-CG2 3.28Å; I277-A554 HydrophobicContact CG1-CB 4.27Å; I277-N607 PolarHBondContact O-ND2 2.94Å
278G91.3Very high92.4Very high25 Ų2520.7 Ų20.726%0.25813%0.128SC..  trans74.935.8-17700000114.3S280 T281 V282G278-S280 PolarHBondContact O-N 2.86Å; G278-T281 VanDerWaalsContact O-CB 3.3Å; G278-T281 WeakPolarHBondContact O-CB 3.42Å; G278-T281 PolarHBondContact O-N 3.04Å; G278-V282 PolarHBondContact O-N 2.92Å
279K93.8Very high92.3Very high32 Ų3220.7 Ų20.714%0.13913%0.128CC..Hα-helixtrans-52.3-53.4177.9-81.7-165.3-68.9-70.40113.2S269 I277 T281 V282 T283 F522 V549S269-K279 WeakPolarHBondContact OG-CD 3.21Å; S269-K279 PolarHBondContact OG-NZ 3.39Å; I277-K279 HydrophobicContact CG2-CG 4.35Å; K279-T281 VanDerWaalsContact C-N 3.26Å; K279-T281 PolarHBondContact O-N 3.19Å; K279-V282 PolarHBondContact O-N 2.67Å; K279-T283 PolarHBondContact O-N 2.83Å; K279-T283 PolarHBondContact O-OG1 2.7Å; K279-F522 WeakPolarHBondContact CE-O 3.34Å; K279-F522 PolarHBondContact NZ-O 2.92Å; K279-V549 HydrophobicContact CG-CB 4.4Å
280S93Very high92.3Very high29 Ų2920.7 Ų20.720%0.20313%0.128CC..Hα-helixtrans-67.9-31.2-178.1-48.20000111.2G278 T283 I284 E519G278-S280 PolarHBondContact O-N 2.86Å; S280-T283 WeakPolarHBondContact O-CB 3.08Å; S280-T283 PolarHBondContact O-N 2.93Å; S280-I284 WeakPolarHBondContact O-CD1 3.32Å; S280-I284 WeakPolarHBondContact O-CG1 3.44Å; S280-I284 PolarHBondContact O-N 3.23Å; S280-E519 WeakPolarHBondContact CB-OE2 3.38Å; S280-E519 PolarHBondContact OG-OE2 3Å
281T94.1Very high92.1Very high12 Ų1223.8 Ų23.87%0.07415%0.145CC..Hα-helixtrans-60.6-50.1172.6-47.70000110.8G278 K279 T283 I284 G285 G319 G320 S323 N637 W638G278-T281 VanDerWaalsContact O-CB 3.3Å; G278-T281 WeakPolarHBondContact O-CB 3.42Å; G278-T281 PolarHBondContact O-N 3.04Å; K279-T281 VanDerWaalsContact C-N 3.26Å; K279-T281 PolarHBondContact O-N 3.19Å; T281-T283 VanDerWaalsContact C-N 3.33Å; T281-T283 PolarHBondContact O-N 2.77Å; T281-I284 PolarHBondContact O-N 2.96Å; T281-G285 PolarHBondContact O-N 3.46Å; T281-G319 VanDerWaalsContact OG1-C 3.24Å; T281-G319 PolarHBondContact OG1-O 3.36Å; T281-G320 PolarHBondContact OG1-N 2.91Å; T281-S323 WeakPolarHBondContact O-CB 3.02Å; T281-N637 PolarHBondContact O-ND2 3.47Å; T281-W638 HydrophobicContact CG2-CB 3.94Å; T281-W638 HydrophobicContact CG2-CG 4.39Å
282V96.7Very high91.7Very high0 Ų029.1 Ų29.10%018%0.177CC..Hα-helixtrans-66.2-36175.9175.70000111.6G278 K279 G285 L286 V547 V549 A605 N607 L648G278-V282 PolarHBondContact O-N 2.92Å; K279-V282 PolarHBondContact O-N 2.67Å; V282-G285 PolarHBondContact O-N 2.82Å; V282-L286 WeakPolarHBondContact O-CB 3.4Å; V282-L286 PolarHBondContact O-N 2.95Å; V282-V547 HydrophobicContact CG1-CG1 4.4Å; V282-V549 HydrophobicContact CB-CG1 4.42Å; V282-V549 HydrophobicContact CB-CG2 3.86Å; V282-V549 HydrophobicContact CG1-CG2 3.89Å; V282-V549 HydrophobicContact CG2-CG1 3.79Å; V282-V549 HydrophobicContact CG2-CG2 4.12Å; V282-A605 HydrophobicContact CG1-CB 3.96Å; V282-N607 HydrophobicContact CG2-CB 4.01Å; V282-L648 HydrophobicContact CG1-CD2 3.75Å
283T96.4Very high91.5Very high0 Ų030.4 Ų30.40%019%0.189CC..Hα-helixtrans-59-49.9176.8-570000111.1V267 K279 S280 T281 L286 V287 V302 V517V267-T283 WeakPolarHBondContact CB-OG1 3.5Å; V267-T283 WeakPolarHBondContact CG1-OG1 3.29Å; V267-T283 HydrophobicContact CG2-CG2 4.29Å; K279-T283 PolarHBondContact O-N 2.83Å; K279-T283 PolarHBondContact O-OG1 2.7Å; S280-T283 WeakPolarHBondContact O-CB 3.08Å; S280-T283 PolarHBondContact O-N 2.93Å; T281-T283 VanDerWaalsContact C-N 3.33Å; T281-T283 PolarHBondContact O-N 2.77Å; T283-L286 PolarHBondContact O-N 3.22Å; T283-V287 WeakPolarHBondContact O-CG2 3.35Å; T283-V287 PolarHBondContact O-N 3.43Å; T283-V287 VanDerWaalsContact O-N 3.13Å; T283-V302 HydrophobicContact CG2-CG1 4.31Å; T283-V517 HydrophobicContact CG2-CG1 3.97Å
284I94.9Very high91.6Very high11 Ų1131 Ų316%0.05619%0.193CC..Hα-helixtrans-70.5-41.4-179.9-64.9160.1000110.6S280 T281 L286 V287 Q288 V318 I325S280-I284 WeakPolarHBondContact O-CD1 3.32Å; S280-I284 WeakPolarHBondContact O-CG1 3.44Å; S280-I284 PolarHBondContact O-N 3.23Å; T281-I284 PolarHBondContact O-N 2.96Å; I284-L286 VanDerWaalsContact C-N 3.3Å; I284-L286 PolarHBondContact O-N 3.5Å; I284-V287 PolarHBondContact O-N 3.39Å; I284-Q288 HydrophobicContact CG2-CG 4.34Å; I284-Q288 VanDerWaalsContact O-CG 3.3Å; I284-Q288 WeakPolarHBondContact O-CG 3.45Å; I284-Q288 PolarHBondContact O-N 3.13Å; I284-V318 WeakPolarHBondContact CD1-O 3.49Å; I284-I325 HydrophobicContact CD1-CD1 4.04Å; I284-I325 HydrophobicContact CD1-CG1 3.71Å; I284-I325 HydrophobicContact CG1-CG1 4.34Å
285G95.4Very high92Very high0 Ų029 Ų290%019%0.192CC..Hα-helixtrans-59-41175.400000112.8T281 V282 Q288 A289 S323 A645T281-G285 PolarHBondContact O-N 3.46Å; V282-G285 PolarHBondContact O-N 2.82Å; G285-Q288 PolarHBondContact O-N 3.11Å; G285-A289 VanDerWaalsContact O-CB 3.24Å; G285-A289 WeakPolarHBondContact O-CB 3.42Å; G285-A289 PolarHBondContact O-N 3.1Å; G285-S323 WeakPolarHBondContact CA-OG 3.12Å; G285-A645 WeakPolarHBondContact O-CB 3.47Å
286L97.7Very high92.6Very high0 Ų025.9 Ų25.90%018%0.179CC..Hα-helixtrans-64.1-44.2175.2177.656.4000111.9V265 V267 V282 T283 I284 Q288 A289 L290 V517 V547 L648 A649 V652V265-L286 HydrophobicContact CG1-CD2 4.32Å; V267-L286 HydrophobicContact CG2-CD2 4.36Å; V282-L286 WeakPolarHBondContact O-CB 3.4Å; V282-L286 PolarHBondContact O-N 2.95Å; T283-L286 PolarHBondContact O-N 3.22Å; I284-L286 VanDerWaalsContact C-N 3.3Å; I284-L286 PolarHBondContact O-N 3.5Å; L286-Q288 VanDerWaalsContact C-N 3.35Å; L286-Q288 PolarHBondContact O-N 3.2Å; L286-A289 PolarHBondContact O-N 3.41Å; L286-L290 HydrophobicContact CD1-CD1 3.9Å; L286-L290 HydrophobicContact CD1-CG 3.97Å; L286-L290 HydrophobicContact CG-CD1 3.88Å; L286-L290 HydrophobicContact CG-CG 4.44Å; L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 VanDerWaalsContact O-CG 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.26Å; L286-L290 PolarHBondContact O-N 3.45Å; L286-V517 HydrophobicContact CD2-CG1 3.89Å; L286-V517 HydrophobicContact CD2-CG2 4.26Å; L286-V517 HydrophobicContact CG-CG1 4.42Å; L286-V517 HydrophobicContact CG-CG2 4.24Å; L286-V547 HydrophobicContact CD2-CG2 3.96Å; L286-L648 HydrophobicContact CB-CD2 4.23Å; L286-L648 HydrophobicContact CD1-CD2 4.13Å; L286-L648 HydrophobicContact CD1-CG 4.02Å; L286-L648 HydrophobicContact CD2-CD2 4.43Å; L286-A649 HydrophobicContact CD1-CB 4.03Å; L286-V652 HydrophobicContact CD1-CB 4.4Å; L286-V652 HydrophobicContact CD1-CG2 4.18Å; L286-V652 HydrophobicContact CD2-CG2 4.18Å
287V96Very high93.1Very high15 Ų1528.6 Ų28.69%0.09119%0.186CC..Hα-helixtrans-61.1-45.2175.7173.20000110.9T283 I284 L290 N291 A298 V517T283-V287 WeakPolarHBondContact O-CG2 3.35Å; T283-V287 PolarHBondContact O-N 3.43Å; T283-V287 VanDerWaalsContact O-N 3.13Å; I284-V287 PolarHBondContact O-N 3.39Å; V287-L290 PolarHBondContact O-N 3.34Å; V287-N291 PolarHBondContact O-N 3.39Å; V287-N291 PolarHBondContact O-ND2 2.86Å; V287-A298 HydrophobicContact CG1-CB 4.34Å; V287-V517 HydrophobicContact CG2-CB 3.62Å; V287-V517 HydrophobicContact CG2-CG1 4.31Å; V287-V517 HydrophobicContact CG2-CG2 3.77Å
288Q93.3Very high93.2Very high57 Ų5728.6 Ų28.627%0.26619%0.187SC..Hα-helixtrans-59.6-47.6175.8-71.1171.7-3500111.1I284 G285 L286 N291 V292 Y322 S323 A642I284-Q288 HydrophobicContact CG2-CG 4.34Å; I284-Q288 VanDerWaalsContact O-CG 3.3Å; I284-Q288 WeakPolarHBondContact O-CG 3.45Å; I284-Q288 PolarHBondContact O-N 3.13Å; G285-Q288 PolarHBondContact O-N 3.11Å; L286-Q288 VanDerWaalsContact C-N 3.35Å; L286-Q288 PolarHBondContact O-N 3.2Å; Q288-N291 PolarHBondContact O-N 2.96Å; Q288-V292 WeakPolarHBondContact O-CB 3.43Å; Q288-V292 WeakPolarHBondContact O-CG2 3.35Å; Q288-V292 PolarHBondContact O-N 2.76Å; Q288-Y322 PolarHBondContact NE2-O 2.73Å; Q288-Y322 PolarHBondContact OE1-O 3.24Å; Q288-S323 PolarHBondContact OE1-OG 3.02Å; Q288-A642 HydrophobicContact CB-CB 3.8Å
289A95.8Very high93.4Very high0 Ų028.8 Ų28.80%018%0.182CC..Hα-helixtrans-67-36.2-179.100000113.5G285 L286 A293 V294 A642 A645 A649G285-A289 VanDerWaalsContact O-CB 3.24Å; G285-A289 WeakPolarHBondContact O-CB 3.42Å; G285-A289 PolarHBondContact O-N 3.1Å; L286-A289 PolarHBondContact O-N 3.41Å; A289-A293 WeakPolarHBondContact O-CA 3.48Å; A289-A293 VanDerWaalsContact O-CB 3.28Å; A289-A293 WeakPolarHBondContact O-CB 3.32Å; A289-A293 PolarHBondContact O-N 3.04Å; A289-V294 PolarHBondContact O-N 2.84Å; A289-A642 WeakPolarHBondContact CB-O 3.27Å; A289-A645 VanDerWaalsContact CB-C 3.47Å; A289-A645 HydrophobicContact CB-CB 3.78Å; A289-A645 WeakPolarHBondContact CB-O 3.35Å; A289-A649 HydrophobicContact CB-CB 3.69Å
290L96Very high93.4Very high0 Ų027.4 Ų27.40%018%0.177CC..Iπ-helixtrans-63.2-43.2174.3-74.9162.8000111.4L286 V287 V294 G295 A296 A298 F515 V517 A649L286-L290 HydrophobicContact CD1-CD1 3.9Å; L286-L290 HydrophobicContact CD1-CG 3.97Å; L286-L290 HydrophobicContact CG-CD1 3.88Å; L286-L290 HydrophobicContact CG-CG 4.44Å; L286-L290 WeakPolarHBondContact O-CB 3.48Å; L286-L290 VanDerWaalsContact O-CG 3.27Å; L286-L290 WeakPolarHBondContact O-CG 3.26Å; L286-L290 PolarHBondContact O-N 3.45Å; V287-L290 PolarHBondContact O-N 3.34Å; L290-V294 HydrophobicContact CD2-CG2 4.32Å; L290-V294 WeakPolarHBondContact O-CB 3.35Å; L290-G295 PolarHBondContact O-N 3.08Å; L290-G295 VanDerWaalsContact O-N 3.12Å; L290-A296 CarbonylContact C-O 3.56Å; L290-A296 PolarHBondContact O-N 3.28Å; L290-A296 VanDerWaalsContact O-O 3.13Å; L290-A298 HydrophobicContact CB-CB 3.6Å; L290-A298 HydrophobicContact CD1-CB 4.02Å; L290-A298 HydrophobicContact CG-CB 4.46Å; L290-F515 HydrophobicContact CD1-CB 3.82Å; L290-F515 HydrophobicContact CD1-CG 4.07Å; L290-F515 HydrophobicContact CD2-CD1 4.36Å; L290-F515 HydrophobicContact CD2-CD2 3.94Å; L290-F515 HydrophobicContact CD2-CE2 4.17Å; L290-F515 HydrophobicContact CD2-CG 4.06Å; L290-F515 HydrophobicContact CD2-CZ 4.47Å; L290-V517 HydrophobicContact CD1-CG2 3.7Å; L290-A649 HydrophobicContact CD2-CB 3.94Å; L290-A649 HydrophobicContact CG-CB 3.97Å
291N91.8Very high93.5Very high66 Ų6626.1 Ų26.135%0.35317%0.168SC..Iπ-helixtrans-68.5-43.3177.3-76.2-75.7000112.5V287 Q288 G295 A296 A298V287-N291 PolarHBondContact O-N 3.39Å; V287-N291 PolarHBondContact O-ND2 2.86Å; Q288-N291 PolarHBondContact O-N 2.96Å; N291-G295 WeakPolarHBondContact O-CA 3.28Å; N291-A296 WeakPolarHBondContact CA-O 3.42Å; N291-A296 PolarHBondContact N-O 3.44Å; N291-A298 PolarHBondContact ND2-O 3.27Å; N291-A298 PolarHBondContact OD1-N 3.01Å; N291-A298 VanDerWaalsContact OD1-N 3.1Å
292V87Confident93.3Very high111 Ų11125.6 Ų25.667%0.67317%0.165SC*.Iπ-helixtrans-90-51.6-171.3177.90000112.8Q288 A642Q288-V292 WeakPolarHBondContact O-CB 3.43Å; Q288-V292 WeakPolarHBondContact O-CG2 3.35Å; Q288-V292 PolarHBondContact O-N 2.76Å; V292-A642 HydrophobicContact CB-CB 4.14Å; V292-A642 HydrophobicContact CG2-CB 4.2Å
293A86.8Confident92.9Very high44 Ų4431.4 Ų31.436%0.36419%0.187SC..Iπ-helixtrans-86.9-35.9-17100000112.8A289 S646A289-A293 WeakPolarHBondContact O-CA 3.48Å; A289-A293 VanDerWaalsContact O-CB 3.28Å; A289-A293 WeakPolarHBondContact O-CB 3.32Å; A289-A293 PolarHBondContact O-N 3.04Å; A293-S646 WeakPolarHBondContact CB-OG 3.37Å
294V90.6Very high92.5Very high25 Ų2532.9 Ų32.915%0.15219%0.193CC..Iπ-helixtrans-90-25.2177.8176.80000111.7A289 L290 A296 A649 K653A289-V294 PolarHBondContact O-N 2.84Å; L290-V294 HydrophobicContact CD2-CG2 4.32Å; L290-V294 WeakPolarHBondContact O-CB 3.35Å; V294-A296 VanDerWaalsContact C-N 3.31Å; V294-A296 HydrophobicContact CG1-CB 3.97Å; V294-A649 HydrophobicContact CG2-CB 3.63Å; V294-K653 HydrophobicContact CG1-CD 3.54Å
295G89.8Confident92.1Very high64 Ų6433.8 Ų33.866%0.6620%0.2SC*.  trans71.723.7-175.800000113.5L290 N291L290-G295 PolarHBondContact O-N 3.08Å; L290-G295 VanDerWaalsContact O-N 3.12Å; N291-G295 WeakPolarHBondContact O-CA 3.28Å
296A91.5Very high91.7Very high11 Ų1134.8 Ų34.89%0.09121%0.207CC..  trans-104.7137178.200000110.4L290 N291 V294 A298 F515L290-A296 CarbonylContact C-O 3.56Å; L290-A296 PolarHBondContact O-N 3.28Å; L290-A296 VanDerWaalsContact O-O 3.13Å; N291-A296 WeakPolarHBondContact CA-O 3.42Å; N291-A296 PolarHBondContact N-O 3.44Å; V294-A296 VanDerWaalsContact C-N 3.31Å; V294-A296 HydrophobicContact CG1-CB 3.97Å; A296-A298 PolarHBondContact O-N 3.19Å; A296-A298 VanDerWaalsContact O-N 3.17Å; A296-F515 HydrophobicContact CB-CD2 3.83Å; A296-F515 HydrophobicContact CB-CE2 3.75Å
297N92.3Very high91.1Very high89 Ų8936.6 Ų36.648%0.47622%0.217SC..  trans-58122.1175.3-72.3-27.2000109.7G514 F515N297-G514 CarbonylContact O-C 3.57Å; N297-G514 WeakPolarHBondContact O-CA 3.07Å; N297-F515 PolarHBondContact O-N 3.15Å
298A93.9Very high90.5Very high10 Ų1038 Ų388%0.08323%0.234CC..EExtended strand (participates in β ladder)trans-132.9133.9176.700000113.2V287 L290 N291 A296 F515V287-A298 HydrophobicContact CG1-CB 4.34Å; L290-A298 HydrophobicContact CB-CB 3.6Å; L290-A298 HydrophobicContact CD1-CB 4.02Å; L290-A298 HydrophobicContact CG-CB 4.46Å; N291-A298 PolarHBondContact ND2-O 3.27Å; N291-A298 PolarHBondContact OD1-N 3.01Å; N291-A298 VanDerWaalsContact OD1-N 3.1Å; A296-A298 PolarHBondContact O-N 3.19Å; A296-A298 VanDerWaalsContact O-N 3.17Å; A298-F515 CarbonylContact C-O 3.44Å; A298-F515 WeakPolarHBondContact CA-O 3.07Å; A298-F515 HydrophobicContact CB-CB 4.13Å
299I95Very high90Very high29 Ų2938.1 Ų38.115%0.14924%0.24CC..EExtended strand (participates in β ladder)trans-115.7131.7175.3-65.2178.2000109I231 A506 L509 I510 F515 V516 V517I231-I299 HydrophobicContact CD1-CD1 4.21Å; I299-A506 HydrophobicContact CB-CB 4.22Å; I299-A506 HydrophobicContact CD1-CB 4.35Å; I299-A506 HydrophobicContact CG2-CB 3.83Å; I299-L509 HydrophobicContact CD1-CB 4.23Å; I299-I510 HydrophobicContact CB-CG2 3.99Å; I299-I510 HydrophobicContact CD1-CG2 3.58Å; I299-I510 HydrophobicContact CG1-CG2 3.54Å; I299-F515 PolarHBondContact N-O 2.89Å; I299-V516 WeakPolarHBondContact O-CA 3.23Å; I299-V517 PolarHBondContact O-N 3.36Å
300G94Very high89.3Confident3 Ų339.5 Ų39.53%0.03125%0.248CC..EExtended strand (participates in β ladder)trans-94.1138.1173.100000112.6T496 V517G300-T496 VanDerWaalsContact C-CG2 3.46Å; G300-T496 VanDerWaalsContact CA-CG2 3.45Å; G300-T496 WeakPolarHBondContact O-CA 3.29Å; G300-T496 WeakPolarHBondContact O-CB 3.46Å; G300-T496 WeakPolarHBondContact O-CG2 3.2Å; G300-V517 CarbonylContact C-O 3.56Å; G300-V517 VanDerWaalsContact CA-O 3.29Å; G300-V517 WeakPolarHBondContact CA-O 3.44Å
301C93.9Very high88.7Confident2 Ų246.8 Ų46.81%0.01428%0.28CS..EExtended strand (participates in β ladder)trans-116110.8174.1-70.40000110.1F497 S498 D503 V517 T518 E519C301-F497 WeakPolarHBondContact CA-O 3.34Å; C301-F497 WeakPolarHBondContact CB-O 3.48Å; C301-F497 PolarHBondContact SG-O 3.17Å; C301-F497 VanDerWaalsContact SG-O 3.41Å; C301-S498 VanDerWaalsContact C-CB 3.47Å; C301-D503 WeakPolarHBondContact CB-OD1 3.27Å; C301-D503 PolarHBondContact SG-OD1 2.95Å; C301-V517 PolarHBondContact N-O 3.42Å; C301-T518 WeakPolarHBondContact O-CA 3.42Å; C301-T518 PolarHBondContact O-OG1 3.04Å; C301-E519 PolarHBondContact O-N 3.24Å
302V90.8Very high88Confident0 Ų047 Ų470%030%0.298CS..  trans-123.7154.5178.6-56.40000113.7T283 V318 I325 F331 T496 F497 S498T283-V302 HydrophobicContact CG2-CG1 4.31Å; V302-V318 HydrophobicContact CG2-CG1 4.3Å; V302-I325 HydrophobicContact CG1-CD1 4.5Å; V302-I325 HydrophobicContact CG2-CD1 3.48Å; V302-I325 VanDerWaalsContact CG2-CD1 3.48Å; V302-F331 HydrophobicContact CG2-CE2 4.25Å; V302-F331 HydrophobicContact CG2-CZ 3.73Å; V302-T496 VanDerWaalsContact CG2-OG1 3.28Å; V302-T496 WeakPolarHBondContact CG2-OG1 3.46Å; V302-F497 VanDerWaalsContact N-C 3.31Å; V302-F497 CarbonylContact O-C 3.57Å; V302-F497 WeakPolarHBondContact O-CA 3.45Å; V302-S498 VanDerWaalsContact C-CB 3.44Å; V302-S498 WeakPolarHBondContact O-CB 3.34Å; V302-S498 PolarHBondContact O-N 3.28Å
303R88.5Confident87Confident122 Ų12249 Ų4946%0.4630%0.302SS..PPolyproline II helixtrans-76.4143.2-179.9-66.3169.4-66.3140.610.9111.5E519R303-E519 IonicContact CZ-OE1 3.74Å; R303-E519 IonicContact NE-OE1 3.66Å; R303-E519 PolarHBondContact NE-OE1 3.44Å; R303-E519 IonicContact NH2-OE1 3.06Å; R303-E519 PolarHBondContact NH2-OE1 3.28Å
304Q88.2Confident85.6Confident31 Ų3156.8 Ų56.815%0.14533%0.328CS..PPolyproline II helixtrans-67.1130.9167.6168.1178.16.100110.4L335 I339 F497Q304-L335 HydrophobicContact CB-CD2 4.15Å; Q304-L335 HydrophobicContact CG-CD2 3.97Å; Q304-I339 HydrophobicContact CG-CD1 3.99Å; Q304-F497 HydrophobicContact CB-CD2 4.21Å; Q304-F497 HydrophobicContact CB-CE2 3.54Å; Q304-F497 HydrophobicContact CB-CZ 4.45Å
305P86.4Confident84.1Confident31 Ų3157.3 Ų57.320%0.20134%0.335CS..PPolyproline II helixtrans-71.1150.4176.329-34.3000110V318 F331 N332 I339P305-V318 HydrophobicContact CG-CG2 4.33Å; P305-F331 HydrophobicContact CG-CD1 3.93Å; P305-F331 HydrophobicContact CG-CE1 3.89Å; P305-N332 WeakPolarHBondContact CG-OD1 3.21Å; P305-I339 WeakPolarHBondContact O-CD1 3.36Å
306S86Confident82.9Confident21 Ų2156.5 Ų56.515%0.14733%0.326CS..PPolyproline II helixtrans-69.2140.2169.7-174.60000110G308 P309 I433S306-G308 VanDerWaalsContact C-N 3.28Å; S306-G308 PolarHBondContact O-N 3.06Å; S306-P309 WeakPolarHBondContact O-CD 3.14Å; S306-I433 WeakPolarHBondContact OG-CD1 2.88Å
307L86.6Confident81.6Confident37 Ų3756.7 Ų56.719%0.19433%0.327CS..Hα-helixtrans-63.2-32.9176.1179.763.2000112.9T310 F311 L333L307-T310 WeakPolarHBondContact O-CB 3.22Å; L307-T310 PolarHBondContact O-N 3.48Å; L307-F311 HydrophobicContact CD1-CE2 3.58Å; L307-F311 HydrophobicContact CD1-CZ 4.16Å; L307-F311 HydrophobicContact CD2-CE2 4.5Å; L307-F311 HydrophobicContact CG-CE2 3.8Å; L307-F311 WeakPolarHBondContact O-CD2 3.1Å; L307-L333 HydrophobicContact CD1-CB 4.46Å; L307-L333 HydrophobicContact CD1-CD2 3.89Å
308G83.4Confident80.9Confident44 Ų4453.5 Ų53.545%0.45431%0.311SS..Hα-helixtrans-59.2-54.6-173.800000113.8S306 T310 F311S306-G308 VanDerWaalsContact C-N 3.28Å; S306-G308 PolarHBondContact O-N 3.06Å; G308-T310 PolarHBondContact O-N 2.67Å; G308-T310 VanDerWaalsContact O-N 3.16Å; G308-F311 PolarHBondContact O-N 2.79Å; G308-F311 VanDerWaalsContact O-N 3.13Å
309P82.2Confident80.6Confident61 Ų6153.6 Ų53.640%0.39631%0.314SS..Hα-helixtrans-50.4-37.5178.6-32.636.2000115S306 F311 G312 M313S306-P309 WeakPolarHBondContact O-CD 3.14Å; P309-F311 PolarHBondContact O-N 3.29Å; P309-G312 PolarHBondContact O-N 3.28Å; P309-M313 PolarHBondContact O-N 3.38Å
310T81.7Confident80.3Confident28 Ų2852.3 Ų52.317%0.17231%0.307CS..Hα-helixtrans-51.2-32.5179.2-64.60000113.6L307 G308 A315 N332 L333L307-T310 WeakPolarHBondContact O-CB 3.22Å; L307-T310 PolarHBondContact O-N 3.48Å; G308-T310 PolarHBondContact O-N 2.67Å; G308-T310 VanDerWaalsContact O-N 3.16Å; T310-A315 HydrophobicContact CG2-CB 3.58Å; T310-N332 PolarHBondContact OG1-O 3.47Å; T310-L333 HydrophobicContact CG2-CD2 4.28Å
311F83.4Confident80.1Confident154 Ų15452.2 Ų52.268%0.67531%0.306SS*.THydrogen-bonded Turntrans-96-8.4-178.8-58.7-72.2000114.2L307 G308 P309 L333L307-F311 HydrophobicContact CD1-CE2 3.58Å; L307-F311 HydrophobicContact CD1-CZ 4.16Å; L307-F311 HydrophobicContact CD2-CE2 4.5Å; L307-F311 HydrophobicContact CG-CE2 3.8Å; L307-F311 WeakPolarHBondContact O-CD2 3.1Å; G308-F311 PolarHBondContact O-N 2.79Å; G308-F311 VanDerWaalsContact O-N 3.13Å; P309-F311 PolarHBondContact O-N 3.29Å; F311-L333 HydrophobicContact CZ-CD2 4.14Å
312G75.1Confident79.9Confident71 Ų7156.1 Ų56.173%0.73232%0.321SS*.THydrogen-bonded Turntrans-103.3-55.4178.600000112.7P309P309-G312 PolarHBondContact O-N 3.28Å
313M66.1Low80Confident151 Ų15156.1 Ų56.174%0.74432%0.321SS*.THydrogen-bonded Turntrans-111.2126.2172.3-65.5-178.4-72.800106.4P309 A315P309-M313 PolarHBondContact O-N 3.38Å; M313-A315 PolarHBondContact O-N 3.44Å; M313-A315 VanDerWaalsContact O-N 3.14Å
314K58.7Low80Confident209 Ų20951 Ų5191%0.90930%0.302SS*.THydrogen-bonded Turntrans-37.9124.3-176.8-75.2-177.3177.6178.70110.8G316K314-G316 PolarHBondContact O-N 3.15Å; K314-G316 VanDerWaalsContact O-N 3.16Å
315A58.5Low80.1Confident36 Ų3649.6 Ų49.630%0.29830%0.296SS..PPolyproline II helixtrans-52.6123.1177.100000110.7T310 M313 M328 N332T310-A315 HydrophobicContact CG2-CB 3.58Å; M313-A315 PolarHBondContact O-N 3.44Å; M313-A315 VanDerWaalsContact O-N 3.14Å; A315-M328 WeakPolarHBondContact O-CE 3.45Å; A315-N332 HydrophobicContact CB-CB 4.4Å
316G63.7Low80.1Confident46 Ų4649 Ų4947%0.47429%0.291SS..PPolyproline II helixtrans-82.5159.7170.700000110.9K314 N332K314-G316 PolarHBondContact O-N 3.15Å; K314-G316 VanDerWaalsContact O-N 3.16Å; G316-N332 PolarHBondContact O-ND2 3.3Å
317A64.9Low80.2Confident15 Ų1548.6 Ų48.612%0.12429%0.288CS..PPolyproline II helixtrans-61.1148.1162.400000109.5D212 G319 Q324 M328D212-A317 HydrophobicContact CB-CB 3.79Å; A317-G319 PolarHBondContact O-N 3.37Å; A317-Q324 HydrophobicContact CB-CB 4.2Å; A317-M328 HydrophobicContact CB-CG 4.44Å; A317-M328 HydrophobicContact CB-SD 3.78Å
318V78.4Confident80.2Confident22 Ų2247.7 Ų47.713%0.13328%0.283CS..SBendtrans-85.2104.3161.11760000106.7I284 V302 P305 I325 F331I284-V318 WeakPolarHBondContact CD1-O 3.49Å; V302-V318 HydrophobicContact CG2-CG1 4.3Å; P305-V318 HydrophobicContact CG-CG2 4.33Å; V318-I325 HydrophobicContact CB-CD1 4.03Å; V318-I325 HydrophobicContact CG1-CD1 3.62Å; V318-I325 PolarHBondContact O-N 3.41Å; V318-I325 VanDerWaalsContact O-N 3.13Å; V318-F331 HydrophobicContact CB-CD1 3.89Å; V318-F331 HydrophobicContact CB-CE1 3.55Å; V318-F331 HydrophobicContact CB-CZ 4.45Å; V318-F331 HydrophobicContact CG1-CE1 3.82Å; V318-F331 HydrophobicContact CG1-CZ 4.31Å; V318-F331 HydrophobicContact CG2-CD1 3.61Å; V318-F331 HydrophobicContact CG2-CE1 3.3Å; V318-F331 HydrophobicContact CG2-CZ 4.47Å
319G86.5Confident80.2Confident13 Ų1351 Ų5113%0.13429%0.286CS..EExtended strand (participates in β ladder)trans105.8-151.9-156.900000111.3T281 A317 S323T281-G319 VanDerWaalsContact OG1-C 3.24Å; T281-G319 PolarHBondContact OG1-O 3.36Å; A317-G319 PolarHBondContact O-N 3.37Å; G319-S323 CarbonylContact C-O 3.47Å; G319-S323 VanDerWaalsContact CA-O 3.22Å; G319-S323 WeakPolarHBondContact CA-O 3.37Å
320G89.4Confident80.5Confident2 Ų250.5 Ų50.52%0.02128%0.279CS..EExtended strand (participates in β ladder)trans177158.217100000110.8T281 Y322 S323T281-G320 PolarHBondContact OG1-N 2.91Å; G320-Y322 PolarHBondContact O-N 2.81Å; G320-S323 PolarHBondContact N-O 2.95Å; G320-S323 CarbonylContact O-C 3.49Å; G320-S323 PolarHBondContact O-N 3.13Å; G320-S323 VanDerWaalsContact O-N 3.08Å
321G89.5Confident80.7Confident0 Ų049.3 Ų49.30%027%0.271CS..THydrogen-bonded Turntrans59.9-131.7179.700000110.8D212 S323 Q324 W638D212-G321 PolarHBondContact OD1-N 2.89Å; G321-S323 VanDerWaalsContact C-N 3.31Å; G321-Q324 WeakPolarHBondContact O-CG 3.06Å; G321-Q324 PolarHBondContact O-NE2 3.39Å; G321-W638 CarbonylContact C-O 3.48Å; G321-W638 VanDerWaalsContact CA-O 3.29Å; G321-W638 WeakPolarHBondContact CA-O 3.3Å; G321-W638 VanDerWaalsContact N-CD1 3.27Å; G321-W638 VanDerWaalsContact N-NE1 3.12Å
322Y90.4Very high80.9Confident85 Ų8542.4 Ų42.433%0.33324%0.241SC..THydrogen-bonded Turntrans-84.3-0.9177.3-67.5-78.4000114.4V209 I215 Q288 G320 W638 A639V209-Y322 HydrophobicContact CG1-CD2 4.31Å; V209-Y322 HydrophobicContact CG1-CE2 4.05Å; I215-Y322 HydrophobicContact CD1-CD1 4.46Å; I215-Y322 HydrophobicContact CD1-CD2 4.29Å; I215-Y322 HydrophobicContact CD1-CE1 4.33Å; I215-Y322 HydrophobicContact CD1-CE2 4.2Å; I215-Y322 HydrophobicContact CD1-CG 4.46Å; I215-Y322 HydrophobicContact CG1-CE1 4.39Å; I215-Y322 HydrophobicContact CG2-CD1 3.86Å; I215-Y322 HydrophobicContact CG2-CE1 4Å; Q288-Y322 PolarHBondContact NE2-O 2.73Å; Q288-Y322 PolarHBondContact OE1-O 3.24Å; G320-Y322 PolarHBondContact O-N 2.81Å; Y322-W638 PolarHBondContact N-O 2.88Å; Y322-A639 WeakPolarHBondContact CD2-O 3.32Å; Y322-A639 WeakPolarHBondContact CE2-O 3.46Å
323S92.6Very high81.5Confident0 Ų042 Ų420%022%0.222CC..EExtended strand (participates in β ladder)trans-114.574.4174.6-670000111.1T281 G285 Q288 G319 G320 G321 N637T281-S323 WeakPolarHBondContact O-CB 3.02Å; G285-S323 WeakPolarHBondContact CA-OG 3.12Å; Q288-S323 PolarHBondContact OE1-OG 3.02Å; G319-S323 CarbonylContact C-O 3.47Å; G319-S323 VanDerWaalsContact CA-O 3.22Å; G319-S323 WeakPolarHBondContact CA-O 3.37Å; G320-S323 PolarHBondContact N-O 2.95Å; G320-S323 CarbonylContact O-C 3.49Å; G320-S323 PolarHBondContact O-N 3.13Å; G320-S323 VanDerWaalsContact O-N 3.08Å; G321-S323 VanDerWaalsContact C-N 3.31Å; S323-N637 WeakPolarHBondContact CB-ND2 3.15Å; S323-N637 PolarHBondContact OG-ND2 3.36Å; S323-N637 PolarHBondContact OG-O 2.98Å
324Q89.1Confident82.7Confident13 Ų1340 Ų406%0.06121%0.211CC..EExtended strand (participates in β ladder)trans-139.6160.7-179.262176.8-48.700112.3D212 A317 G321 I326D212-Q324 PolarHBondContact O-NE2 3.46Å; D212-Q324 PolarHBondContact O-OE1 2.72Å; A317-Q324 HydrophobicContact CB-CB 4.2Å; G321-Q324 WeakPolarHBondContact O-CG 3.06Å; G321-Q324 PolarHBondContact O-NE2 3.39Å; Q324-I326 HydrophobicContact CG-CG2 4.23Å
325I89.1Confident84.3Confident3 Ų330.7 Ų30.72%0.01517%0.171CC..  trans-83.9134172.3-62154.8000109.1I284 V302 V318 F331 T496I284-I325 HydrophobicContact CD1-CD1 4.04Å; I284-I325 HydrophobicContact CD1-CG1 3.71Å; I284-I325 HydrophobicContact CG1-CG1 4.34Å; V302-I325 HydrophobicContact CG1-CD1 4.5Å; V302-I325 HydrophobicContact CG2-CD1 3.48Å; V302-I325 VanDerWaalsContact CG2-CD1 3.48Å; V318-I325 HydrophobicContact CB-CD1 4.03Å; V318-I325 HydrophobicContact CG1-CD1 3.62Å; V318-I325 PolarHBondContact O-N 3.41Å; V318-I325 VanDerWaalsContact O-N 3.13Å; I325-F331 HydrophobicContact CD1-CE1 4.29Å; I325-F331 HydrophobicContact CD1-CE2 4.09Å; I325-F331 HydrophobicContact CD1-CZ 3.98Å; I325-F331 HydrophobicContact CG2-CD2 4.05Å; I325-F331 HydrophobicContact CG2-CG 4.39Å; I325-T496 WeakPolarHBondContact CD1-OG1 3.37Å; I325-T496 WeakPolarHBondContact CG1-OG1 3.28Å
326I86.8Confident86Confident18 Ų1829.6 Ų29.69%0.09216%0.161CC..SBendtrans-122.1151.6174.263.6169.5000111S216 Q219 P221 Q324 Q495S216-I326 WeakPolarHBondContact OG-CG2 3.42Å; Q219-I326 HydrophobicContact CB-CD1 3.44Å; Q219-I326 VanDerWaalsContact CB-CD1 3.44Å; Q219-I326 HydrophobicContact CG-CD1 3.98Å; P221-I326 HydrophobicContact CB-CD1 4.23Å; P221-I326 HydrophobicContact CG-CD1 4.14Å; Q324-I326 HydrophobicContact CG-CG2 4.23Å; I326-Q495 PolarHBondContact O-OE1 2.93Å
327P87.7Confident87.4Confident12 Ų1228.5 Ų28.58%0.07815%0.149CC..SBendcis-71.5128.2-9.1-15.730.6000112.6P221 Y244 E329 E330 F331P221-P327 HydrophobicContact CG-CG 4.03Å; Y244-P327 HydrophobicContact CD2-CG 3.73Å; Y244-P327 HydrophobicContact CE2-CG 4.46Å; Y244-P327 HydrophobicContact CG-CG 4Å; P327-E329 VanDerWaalsContact C-N 3.29Å; P327-E329 HydrophobicContact CB-CG 4.47Å; P327-E329 PolarHBondContact O-N 2.86Å; P327-E330 HydrophobicContact CB-CG 4.29Å; P327-E330 PolarHBondContact O-N 2.9Å; P327-F331 PolarHBondContact O-N 2.96Å
328M86.2Confident88.8Confident18 Ų1828 Ų289%0.08914%0.144CC..Hα-helixtrans-59.7-37-176.1175.1-175152.500113S216 A315 A317 F331 N332S216-M328 PolarHBondContact OG-N 3.17Å; A315-M328 WeakPolarHBondContact O-CE 3.45Å; A317-M328 HydrophobicContact CB-CG 4.44Å; A317-M328 HydrophobicContact CB-SD 3.78Å; M328-F331 PolarHBondContact O-N 3.03Å; M328-N332 PolarHBondContact O-N 3.18Å; M328-N332 VanDerWaalsContact O-N 3.15Å; M328-N332 PolarHBondContact O-ND2 3.05Å
329E85.2Confident89.5Confident114 Ų11427.8 Ų27.853%0.53314%0.142SC..Hα-helixtrans-67.9-36.7-178.460-167.2-164.300113.2P327 F331 L333P327-E329 VanDerWaalsContact C-N 3.29Å; P327-E329 HydrophobicContact CB-CG 4.47Å; P327-E329 PolarHBondContact O-N 2.86Å; E329-F331 VanDerWaalsContact C-N 3.34Å; E329-L333 VanDerWaalsContact O-CG 3.32Å; E329-L333 WeakPolarHBondContact O-CG 3.31Å
330E87.2Confident89.9Confident50 Ų5031.3 Ų31.323%0.23416%0.155CC..Hα-helixtrans-69.1-36.7175.6-66.4-161-174.200111.6K245 P327 L335 M494K245-E330 WeakPolarHBondContact CD-OE2 3.28Å; K245-E330 WeakPolarHBondContact CE-OE2 3.34Å; K245-E330 IonicContact NZ-OE1 2.77Å; K245-E330 IonicContact NZ-OE2 3.78Å; K245-E330 PolarHBondContact NZ-OE2 2.95Å; P327-E330 HydrophobicContact CB-CG 4.29Å; P327-E330 PolarHBondContact O-N 2.9Å; E330-L335 PolarHBondContact O-N 2.88Å; E330-M494 HydrophobicContact CB-CE 4.35Å
331F86.7Confident90.2Very high3 Ų332.1 Ų32.11%0.01316%0.161CC..Hα-helixtrans-68.9-38.4-178.5-166.6-96.7000113V302 P305 V318 I325 P327 M328 E329 L335 M494V302-F331 HydrophobicContact CG2-CE2 4.25Å; V302-F331 HydrophobicContact CG2-CZ 3.73Å; P305-F331 HydrophobicContact CG-CD1 3.93Å; P305-F331 HydrophobicContact CG-CE1 3.89Å; V318-F331 HydrophobicContact CB-CD1 3.89Å; V318-F331 HydrophobicContact CB-CE1 3.55Å; V318-F331 HydrophobicContact CB-CZ 4.45Å; V318-F331 HydrophobicContact CG1-CE1 3.82Å; V318-F331 HydrophobicContact CG1-CZ 4.31Å; V318-F331 HydrophobicContact CG2-CD1 3.61Å; V318-F331 HydrophobicContact CG2-CE1 3.3Å; V318-F331 HydrophobicContact CG2-CZ 4.47Å; I325-F331 HydrophobicContact CD1-CE1 4.29Å; I325-F331 HydrophobicContact CD1-CE2 4.09Å; I325-F331 HydrophobicContact CD1-CZ 3.98Å; I325-F331 HydrophobicContact CG2-CD2 4.05Å; I325-F331 HydrophobicContact CG2-CG 4.39Å; P327-F331 PolarHBondContact O-N 2.96Å; M328-F331 PolarHBondContact O-N 3.03Å; E329-F331 VanDerWaalsContact C-N 3.34Å; F331-L335 HydrophobicContact CD2-CD1 4.14Å; F331-M494 HydrophobicContact CB-SD 4.4Å; F331-M494 HydrophobicContact CD2-SD 3.71Å
332N86.5Confident90.5Very high9 Ų932.1 Ų32.15%0.04816%0.161CC..Hα-helixtrans-84.1-8.3-175.1-80.6-33.5000115.1P305 T310 A315 G316 M328P305-N332 WeakPolarHBondContact CG-OD1 3.21Å; T310-N332 PolarHBondContact OG1-O 3.47Å; A315-N332 HydrophobicContact CB-CB 4.4Å; G316-N332 PolarHBondContact O-ND2 3.3Å; M328-N332 PolarHBondContact O-N 3.18Å; M328-N332 VanDerWaalsContact O-N 3.15Å; M328-N332 PolarHBondContact O-ND2 3.05Å
333L88.8Confident90.8Very high64 Ų6430.9 Ų30.934%0.33516%0.162SC..THydrogen-bonded Turntrans-105.9-116.4-175.7-65.1178.5000112.1L307 T310 F311 E329L307-L333 HydrophobicContact CD1-CB 4.46Å; L307-L333 HydrophobicContact CD1-CD2 3.89Å; T310-L333 HydrophobicContact CG2-CD2 4.28Å; F311-L333 HydrophobicContact CZ-CD2 4.14Å; E329-L333 VanDerWaalsContact O-CG 3.32Å; E329-L333 WeakPolarHBondContact O-CG 3.31Å
334H91.8Very high91Very high109 Ų10932.8 Ų32.851%0.50518%0.178SC..THydrogen-bonded Turntrans-85-20.2-174.2-54.3-47.4000113T336 G337 H340H334-T336 PolarHBondContact O-N 3.49Å; H334-G337 PolarHBondContact O-N 3.19Å; H334-H340 AromaticContact CG-NE2 3.79Å; H334-H340 AromaticContact ND1-CE1 3.8Å; H334-H340 AromaticContact ND1-NE2 3.24Å; H334-H340 PolarHBondContact ND1-NE2 2.84Å
335L91.5Very high91.3Very high12 Ų1232.1 Ų32.16%0.06318%0.175CC..THydrogen-bonded Turntrans48.8-110.7-172.8-169.668.5000110.7K245 Q304 E330 F331 T492 M494 F497K245-L335 HydrophobicContact CD-CD1 4.39Å; K245-L335 WeakPolarHBondContact CE-O 3.39Å; Q304-L335 HydrophobicContact CB-CD2 4.15Å; Q304-L335 HydrophobicContact CG-CD2 3.97Å; E330-L335 PolarHBondContact O-N 2.88Å; F331-L335 HydrophobicContact CD2-CD1 4.14Å; L335-T492 HydrophobicContact CD1-CG2 4.18Å; L335-T492 HydrophobicContact CD2-CG2 4.23Å; L335-T492 HydrophobicContact CG-CG2 4.14Å; L335-M494 HydrophobicContact CD1-CG 4.25Å; L335-M494 HydrophobicContact CD1-SD 3.23Å; L335-M494 WeakPolarHBondContact CD1-SD 3.45Å; L335-F497 HydrophobicContact CD2-CD2 4.16Å; L335-F497 HydrophobicContact CD2-CE2 4.11Å
336T93.3Very high91.6Very high14 Ų1433.8 Ų33.89%0.08619%0.189CC..THydrogen-bonded Turntrans-111.76.5-18046.20000112.9Y241 K245 K247 H334 D338 T492Y241-T336 HydrophobicContact CD1-CG2 4.16Å; Y241-T336 HydrophobicContact CD2-CG2 4.21Å; Y241-T336 HydrophobicContact CG-CG2 3.95Å; K245-T336 HydrophobicContact CD-CG2 4.39Å; K247-T336 WeakPolarHBondContact CE-OG1 3.29Å; K247-T336 HydrophobicContact CG-CG2 4.35Å; H334-T336 PolarHBondContact O-N 3.49Å; T336-D338 PolarHBondContact OG1-OD1 3.29Å; T336-D338 PolarHBondContact OG1-OD2 2.98Å; T336-T492 HydrophobicContact CG2-CG2 3.54Å; T336-T492 PolarHBondContact OG1-OG1 3.42Å
337G93.7Very high91.9Very high22 Ų2237.2 Ų37.223%0.22721%0.208CC..SBendtrans89.98176.700000115.8H334 I339 H340 A341H334-G337 PolarHBondContact O-N 3.19Å; G337-I339 PolarHBondContact O-N 2.86Å; G337-H340 WeakPolarHBondContact O-CA 3.39Å; G337-H340 WeakPolarHBondContact O-CB 3.35Å; G337-H340 PolarHBondContact O-N 2.96Å; G337-A341 PolarHBondContact O-N 2.92Å
338D94.2Very high92.3Very high5 Ų539.6 Ų39.63%0.02722%0.219CC..Hα-helixtrans-58.9-45.5-174.2-63.4-10.4000113.2K247 T336 H340 A341 V342 A488K247-D338 VanDerWaalsContact CE-OD1 3.23Å; K247-D338 WeakPolarHBondContact CE-OD1 3.35Å; K247-D338 IonicContact NZ-OD1 2.72Å; K247-D338 PolarHBondContact NZ-OD1 3.47Å; K247-D338 IonicContact NZ-OD2 2.67Å; K247-D338 PolarHBondContact NZ-OD2 3.34Å; T336-D338 PolarHBondContact OG1-OD1 3.29Å; T336-D338 PolarHBondContact OG1-OD2 2.98Å; D338-H340 VanDerWaalsContact C-N 3.28Å; D338-H340 PolarHBondContact O-N 3.26Å; D338-A341 WeakPolarHBondContact O-CB 3.22Å; D338-A341 PolarHBondContact O-N 3.42Å; D338-V342 PolarHBondContact O-N 2.84Å; D338-V342 VanDerWaalsContact O-N 3.07Å; D338-A488 HydrophobicContact CB-CB 4.37Å; D338-A488 WeakPolarHBondContact OD1-CA 3.26Å
339I93.4Very high92.7Very high17 Ų1739.5 Ų39.59%0.08722%0.219CC..Hα-helixtrans-63.8-36.2175.6-66178.9000111Q304 P305 G337 V342 V343 A434 M440Q304-I339 HydrophobicContact CG-CD1 3.99Å; P305-I339 WeakPolarHBondContact O-CD1 3.36Å; G337-I339 PolarHBondContact O-N 2.86Å; I339-V342 PolarHBondContact O-N 3.37Å; I339-V343 WeakPolarHBondContact O-CG2 3.41Å; I339-V343 PolarHBondContact O-N 2.8Å; I339-A434 HydrophobicContact CG2-CB 3.68Å; I339-M440 HydrophobicContact CG1-CE 3.89Å
340H95.2Very high93Very high88 Ų8835.1 Ų35.141%0.40720%0.204SC..Hα-helixtrans-67.4-38.6177.7-59.1-48.1000111.5H334 G337 D338 V342 V343 A344H334-H340 AromaticContact CG-NE2 3.79Å; H334-H340 AromaticContact ND1-CE1 3.8Å; H334-H340 AromaticContact ND1-NE2 3.24Å; H334-H340 PolarHBondContact ND1-NE2 2.84Å; G337-H340 WeakPolarHBondContact O-CA 3.39Å; G337-H340 WeakPolarHBondContact O-CB 3.35Å; G337-H340 PolarHBondContact O-N 2.96Å; D338-H340 VanDerWaalsContact C-N 3.28Å; D338-H340 PolarHBondContact O-N 3.26Å; H340-V342 VanDerWaalsContact C-N 3.33Å; H340-V342 PolarHBondContact O-N 2.88Å; H340-V343 PolarHBondContact O-N 3.15Å; H340-A344 PolarHBondContact O-N 3.37Å
341A96.3Very high93.1Very high18 Ų1835.4 Ų35.415%0.14922%0.215CC..Hα-helixtrans-61.6-41.6173.500000111.6G337 D338 A344 A345 L484 L485 A488G337-A341 PolarHBondContact O-N 2.92Å; D338-A341 WeakPolarHBondContact O-CB 3.22Å; D338-A341 PolarHBondContact O-N 3.42Å; A341-A344 PolarHBondContact O-N 2.81Å; A341-A345 VanDerWaalsContact O-CB 3.29Å; A341-A345 WeakPolarHBondContact O-CB 3.49Å; A341-A345 PolarHBondContact O-N 2.92Å; A341-L484 WeakPolarHBondContact CB-O 3.43Å; A341-L485 HydrophobicContact CB-CD2 4.11Å; A341-A488 HydrophobicContact CB-CB 3.82Å
342V95.4Very high93.3Very high0 Ų036 Ų360%022%0.221CC..Hα-helixtrans-62.5-42.1173.6170.90000111.8D338 I339 H340 A345 A346 L439 M440 L443 L485D338-V342 PolarHBondContact O-N 2.84Å; D338-V342 VanDerWaalsContact O-N 3.07Å; I339-V342 PolarHBondContact O-N 3.37Å; H340-V342 VanDerWaalsContact C-N 3.33Å; H340-V342 PolarHBondContact O-N 2.88Å; V342-A345 PolarHBondContact O-N 3.13Å; V342-A346 WeakPolarHBondContact O-CB 3.5Å; V342-A346 PolarHBondContact O-N 3.22Å; V342-L439 HydrophobicContact CG1-CB 4.05Å; V342-M440 HydrophobicContact CB-CE 4.33Å; V342-M440 HydrophobicContact CG1-CE 4.46Å; V342-M440 HydrophobicContact CG2-CE 3.86Å; V342-L443 HydrophobicContact CG2-CD2 4.02Å; V342-L485 HydrophobicContact CG2-CD2 3.97Å
343V95.2Very high93.4Very high59 Ų5937.2 Ų37.236%0.35823%0.227SC..Hα-helixtrans-62.2-46.6175.5171.20000111.2I339 H340 A345 A346 N347 A434I339-V343 WeakPolarHBondContact O-CG2 3.41Å; I339-V343 PolarHBondContact O-N 2.8Å; H340-V343 PolarHBondContact O-N 3.15Å; V343-A345 VanDerWaalsContact C-N 3.34Å; V343-A345 PolarHBondContact O-N 3.35Å; V343-A346 PolarHBondContact O-N 2.93Å; V343-N347 WeakPolarHBondContact O-CB 3.41Å; V343-N347 VanDerWaalsContact O-CG 3.28Å; V343-N347 PolarHBondContact O-N 2.9Å; V343-N347 PolarHBondContact O-ND2 3Å; V343-A434 HydrophobicContact CG2-CB 3.61Å
344A96.9Very high93.1Very high40 Ų4037.6 Ų37.633%0.33123%0.229SC..Hα-helixtrans-61.3-43.517800000111.7H340 A341 N347 L348 L484H340-A344 PolarHBondContact O-N 3.37Å; A341-A344 PolarHBondContact O-N 2.81Å; A344-N347 PolarHBondContact O-N 2.96Å; A344-L348 WeakPolarHBondContact O-CB 3.4Å; A344-L348 PolarHBondContact O-N 3.2Å; A344-L484 HydrophobicContact CB-CD1 4.32Å; A344-L484 HydrophobicContact CB-CD2 4.38Å
345A96.9Very high92.7Very high0 Ų034.4 Ų34.40%022%0.222CC..Hα-helixtrans-61.7-45.1175.900000112.6A341 V342 V343 L348 I349 L439 V481 L484 L485A341-A345 VanDerWaalsContact O-CB 3.29Å; A341-A345 WeakPolarHBondContact O-CB 3.49Å; A341-A345 PolarHBondContact O-N 2.92Å; V342-A345 PolarHBondContact O-N 3.13Å; V343-A345 VanDerWaalsContact C-N 3.34Å; V343-A345 PolarHBondContact O-N 3.35Å; A345-L348 PolarHBondContact O-N 2.96Å; A345-I349 WeakPolarHBondContact O-CG1 3.42Å; A345-I349 PolarHBondContact O-N 3.48Å; A345-I349 VanDerWaalsContact O-N 3.14Å; A345-L439 HydrophobicContact CB-CD1 3.76Å; A345-V481 HydrophobicContact CB-CG1 3.98Å; A345-L484 HydrophobicContact CB-CB 4.46Å; A345-L484 HydrophobicContact CB-CD1 4.43Å; A345-L485 HydrophobicContact CB-CD1 4.34Å; A345-L485 HydrophobicContact CB-CD2 4.16Å; A345-L485 HydrophobicContact CB-CG 4.15Å
346A95Very high92.3Very high37 Ų3735 Ų3531%0.30622%0.223SC..Hα-helixtrans-62.1-44.517700000111.7V342 V343 L348 I349 G350 L439V342-A346 WeakPolarHBondContact O-CB 3.5Å; V342-A346 PolarHBondContact O-N 3.22Å; V343-A346 PolarHBondContact O-N 2.93Å; A346-L348 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3.47Å; A346-I349 PolarHBondContact O-N 3.26Å; A346-G350 PolarHBondContact O-N 3.21Å; A346-L439 HydrophobicContact CB-CD1 3.85Å
347N93.1Very high91.6Very high91 Ų9135.6 Ų35.649%0.48723%0.227SC..Hα-helixtrans-66.3-35.4179-71.2-18.1000112.2V343 A344 G350 A351V343-N347 WeakPolarHBondContact O-CB 3.41Å; V343-N347 VanDerWaalsContact O-CG 3.28Å; V343-N347 PolarHBondContact O-N 2.9Å; V343-N347 PolarHBondContact O-ND2 3Å; A344-N347 PolarHBondContact O-N 2.96Å; N347-G350 PolarHBondContact O-N 3.36Å; N347-A351 WeakPolarHBondContact O-CB 3.35Å; N347-A351 PolarHBondContact O-N 3.15Å
348L95.9Very high90.9Very high62 Ų6238.4 Ų38.433%0.32523%0.233SC..Hα-helixtrans-62-44.4173.5176.861.8000111.5A344 A345 A346 A351 A352 V481 L484A344-L348 WeakPolarHBondContact O-CB 3.4Å; A344-L348 PolarHBondContact O-N 3.2Å; A345-L348 PolarHBondContact O-N 2.96Å; A346-L348 VanDerWaalsContact C-N 3.33Å; A346-L348 PolarHBondContact O-N 3.47Å; L348-A351 PolarHBondContact O-N 3.28Å; L348-A352 WeakPolarHBondContact O-CB 3.42Å; L348-A352 PolarHBondContact O-N 3.1Å; L348-V481 HydrophobicContact CD2-CG2 4.06Å; L348-L484 HydrophobicContact CB-CD1 4.22Å; L348-L484 HydrophobicContact CD2-CD1 3.76Å
349I94.5Very high90.2Very high16 Ų1641 Ų418%0.08225%0.245CC..Hα-helixtrans-62-47.3176.4-66.3171.5000110.4A345 A346 A351 A352 I353 L439 V461 T472 V477 V481A345-I349 WeakPolarHBondContact O-CG1 3.42Å; A345-I349 PolarHBondContact O-N 3.48Å; A345-I349 VanDerWaalsContact O-N 3.14Å; A346-I349 PolarHBondContact O-N 3.26Å; I349-A351 PolarHBondContact O-N 3.39Å; I349-A352 WeakPolarHBondContact O-CB 3.37Å; I349-A352 PolarHBondContact O-N 2.81Å; I349-I353 HydrophobicContact CG2-CD1 4.12Å; I349-I353 WeakPolarHBondContact O-CG1 3.45Å; I349-I353 PolarHBondContact O-N 3.44Å; I349-L439 HydrophobicContact CD1-CD1 4.2Å; I349-L439 HydrophobicContact CD1-CD2 4.07Å; I349-V461 HydrophobicContact CG2-CG1 3.77Å; I349-T472 HydrophobicContact CD1-CG2 3.93Å; I349-T472 HydrophobicContact CG1-CG2 4.26Å; I349-V477 HydrophobicContact CG1-CG2 4.38Å; I349-V481 HydrophobicContact CD1-CG1 4.47Å; I349-V481 HydrophobicContact CD1-CG2 4.05Å; I349-V481 HydrophobicContact CG1-CG2 3.68Å
350G91Very high89.5Confident21 Ų2140.6 Ų40.622%0.21624%0.243CC..Hα-helixtrans-56.9-49.5177.200000112.7A346 N347 A352 I353 D354A346-G350 PolarHBondContact O-N 3.21Å; N347-G350 PolarHBondContact O-N 3.36Å; G350-A352 VanDerWaalsContact C-N 3.27Å; G350-A352 PolarHBondContact O-N 2.77Å; G350-I353 PolarHBondContact O-N 3.45Å; G350-D354 PolarHBondContact O-N 3Å; G350-D354 VanDerWaalsContact O-N 3.15Å
351A90.2Very high88.5Confident56 Ų5638.4 Ų38.446%0.46324%0.239SC..Hα-helixtrans-61.8-34.9177.500000112.6N347 L348 I349 D354 A355N347-A351 WeakPolarHBondContact O-CB 3.35Å; N347-A351 PolarHBondContact O-N 3.15Å; L348-A351 PolarHBondContact O-N 3.28Å; I349-A351 PolarHBondContact O-N 3.39Å; A351-D354 PolarHBondContact O-N 2.87Å; A351-A355 VanDerWaalsContact O-CB 3.28Å; A351-A355 WeakPolarHBondContact O-CB 3.27Å; A351-A355 PolarHBondContact O-N 3.04Å
352A90.8Very high87.5Confident17 Ų1740.5 Ų40.514%0.1425%0.25CS..Hα-helixtrans-70.1-37.417800000113L348 I349 G350 R356 L475 V477L348-A352 WeakPolarHBondContact O-CB 3.42Å; L348-A352 PolarHBondContact O-N 3.1Å; I349-A352 WeakPolarHBondContact O-CB 3.37Å; I349-A352 PolarHBondContact O-N 2.81Å; G350-A352 VanDerWaalsContact C-N 3.27Å; G350-A352 PolarHBondContact O-N 2.77Å; A352-R356 WeakPolarHBondContact O-CB 3.22Å; A352-R356 PolarHBondContact O-N 2.92Å; A352-L475 HydrophobicContact CB-CD1 4.42Å; A352-V477 HydrophobicContact CB-CB 4.42Å; A352-V477 HydrophobicContact CB-CG1 3.37Å; A352-V477 HydrophobicContact CB-CG2 4.43Å
353I87.5Confident86.8Confident34 Ų3442.4 Ų42.417%0.17426%0.26CS..Hα-helixtrans-59.9-51.3172.1-64.9162.9000109.4I349 G350 A355 R356 V357 V461 L475I349-I353 HydrophobicContact CG2-CD1 4.12Å; I349-I353 WeakPolarHBondContact O-CG1 3.45Å; I349-I353 PolarHBondContact O-N 3.44Å; G350-I353 PolarHBondContact O-N 3.45Å; I353-A355 PolarHBondContact O-N 3.14Å; I353-R356 PolarHBondContact O-N 3.43Å; I353-V357 WeakPolarHBondContact O-CG2 3.22Å; I353-V357 PolarHBondContact O-N 3.11Å; I353-V461 HydrophobicContact CD1-CB 4Å; I353-V461 HydrophobicContact CD1-CG2 4.4Å; I353-V461 HydrophobicContact CG1-CB 4.49Å; I353-V461 HydrophobicContact CG1-CG2 4.36Å; I353-L475 HydrophobicContact CG1-CD1 3.59Å
354D82.9Confident86.3Confident72 Ų7242.5 Ų42.539%0.38526%0.263SS..Hα-helixtrans-61.8-44.3-178.8-69.3-41.7000111.7G350 A351 R356 F358 R427G350-D354 PolarHBondContact O-N 3Å; G350-D354 VanDerWaalsContact O-N 3.15Å; A351-D354 PolarHBondContact O-N 2.87Å; D354-R356 PolarHBondContact O-N 2.86Å; D354-F358 VanDerWaalsContact O-CB 3.3Å; D354-F358 WeakPolarHBondContact O-CB 3.41Å; D354-F358 PolarHBondContact O-N 3.18Å; D354-R427 VanDerWaalsContact CG-NH2 3.34Å; D354-R427 IonicContact OD1-CZ 2.7Å; D354-R427 IonicContact OD1-NE 3.23Å; D354-R427 PolarHBondContact OD1-NE 2.92Å; D354-R427 IonicContact OD1-NH2 3.51Å; D354-R427 PolarHBondContact OD1-NH2 3.01Å; D354-R427 VanDerWaalsContact OD1-NH2 3.13Å; D354-R427 IonicContact OD2-CZ 3.14Å; D354-R427 IonicContact OD2-NE 2.77Å; D354-R427 IonicContact OD2-NH2 3.49Å; D354-R427 PolarHBondContact OD2-NH2 3Å
355A85Confident85.6Confident42 Ų4242 Ų4235%0.34725%0.254SS..Hα-helixtrans-64.3-37.9176.300000112.7A351 I353 H359A351-A355 VanDerWaalsContact O-CB 3.28Å; A351-A355 WeakPolarHBondContact O-CB 3.27Å; A351-A355 PolarHBondContact O-N 3.04Å; I353-A355 PolarHBondContact O-N 3.14Å; A355-H359 WeakPolarHBondContact O-CB 3.45Å; A355-H359 PolarHBondContact O-CD2 2.86Å; A355-H359 PolarHBondContact O-N 2.92Å
356R83Confident85Confident23 Ų2347 Ų479%0.08728%0.278CS..Hα-helixtrans-64.2-50.5177.9-175.863.4164.8144.50.7110.9A352 I353 D354 F358 H359 E360 V412 D414 I416 L475A352-R356 WeakPolarHBondContact O-CB 3.22Å; A352-R356 PolarHBondContact O-N 2.92Å; I353-R356 PolarHBondContact O-N 3.43Å; D354-R356 PolarHBondContact O-N 2.86Å; R356-F358 VanDerWaalsContact C-N 3.31Å; R356-F358 PolarHBondContact O-N 2.78Å; R356-H359 PolarHBondContact O-N 3.32Å; R356-E360 HydrophobicContact CG-CG 4.47Å; R356-E360 IonicContact CZ-OE1 2.76Å; R356-E360 IonicContact NE-OE1 2.86Å; R356-E360 PolarHBondContact NE-OE1 2.69Å; R356-E360 IonicContact NH1-OE1 2.91Å; R356-E360 PolarHBondContact NH1-OE1 2.83Å; R356-E360 IonicContact NH2-OE1 2.67Å; R356-E360 PolarHBondContact NH2-OE1 3.01Å; R356-E360 WeakPolarHBondContact O-CB 3.32Å; R356-E360 WeakPolarHBondContact O-CG 3.43Å; R356-E360 PolarHBondContact O-N 3.48Å; R356-V412 PolarHBondContact NH1-O 3.28Å; R356-V412 PolarHBondContact NH2-O 3.31Å; R356-D414 IonicContact CZ-OD2 3Å; R356-D414 IonicContact NE-OD2 3.13Å; R356-D414 IonicContact NH2-OD2 3.84Å; R356-D414 PolarHBondContact NH2-OD2 3.47Å; R356-I416 HydrophobicContact CG-CD1 4.29Å; R356-L475 HydrophobicContact CB-CD2 3.92Å; R356-L475 HydrophobicContact CG-CD2 3.76Å
357V78.6Confident84.5Confident28 Ų2846.9 Ų46.917%0.1728%0.277CS..Hα-helixtrans-56.5-48.3177.3171.60000110.4I353 A361 I416 M425I353-V357 WeakPolarHBondContact O-CG2 3.22Å; I353-V357 PolarHBondContact O-N 3.11Å; V357-A361 WeakPolarHBondContact O-CB 3.42Å; V357-A361 PolarHBondContact O-N 2.95Å; V357-A361 VanDerWaalsContact O-N 3.1Å; V357-I416 HydrophobicContact CG2-CB 4.12Å; V357-I416 HydrophobicContact CG2-CG2 3.62Å; V357-M425 HydrophobicContact CG1-CE 3.73Å
358F78.1Confident84Confident80 Ų8042.9 Ų42.935%0.35126%0.255SS..Hα-helixtrans-58.8-51.2178.6178.5-89.8000112.5D354 R356 A361 T362 E422D354-F358 VanDerWaalsContact O-CB 3.3Å; D354-F358 WeakPolarHBondContact O-CB 3.41Å; D354-F358 PolarHBondContact O-N 3.18Å; R356-F358 VanDerWaalsContact C-N 3.31Å; R356-F358 PolarHBondContact O-N 2.78Å; F358-A361 PolarHBondContact O-N 3.15Å; F358-T362 WeakPolarHBondContact O-CB 3.26Å; F358-T362 WeakPolarHBondContact O-CG2 3.32Å; F358-T362 PolarHBondContact O-N 3.49Å; F358-T362 PolarHBondContact O-OG1 3.35Å; F358-E422 HydrophobicContact CD2-CG 3.99Å; F358-E422 HydrophobicContact CE2-CB 4.34Å; F358-E422 HydrophobicContact CE2-CG 3.57Å; F358-E422 WeakPolarHBondContact CE2-OE1 3.36Å; F358-E422 WeakPolarHBondContact CE2-OE2 3.36Å; F358-E422 HydrophobicContact CZ-CG 4.32Å; F358-E422 WeakPolarHBondContact CZ-OE1 3.44Å; F358-E422 WeakPolarHBondContact CZ-OE2 3.39Å
359H80.2Confident83.4Confident60 Ų6040.3 Ų40.328%0.27824%0.241SC..Hα-helixtrans-71.4-35.9-176.7-71.2-41.1000113.2A355 R356 A361 T362 Q363 L368 R371A355-H359 WeakPolarHBondContact O-CB 3.45Å; A355-H359 PolarHBondContact O-CD2 2.86Å; A355-H359 PolarHBondContact O-N 2.92Å; R356-H359 PolarHBondContact O-N 3.32Å; H359-A361 VanDerWaalsContact C-N 3.3Å; H359-A361 PolarHBondContact O-N 2.84Å; H359-T362 PolarHBondContact O-N 3.05Å; H359-Q363 HydrophobicContact CB-CG 4.49Å; H359-Q363 VanDerWaalsContact O-CB 3.27Å; H359-Q363 WeakPolarHBondContact O-CB 3.39Å; H359-Q363 WeakPolarHBondContact O-CG 3.43Å; H359-Q363 PolarHBondContact O-N 2.89Å; H359-L368 HydrophobicContact CB-CD2 3.85Å; H359-R371 PolarHBondContact CE1-NH1 2.96Å; H359-R371 PolarHBondContact ND1-NH1 2.71Å
360E78.2Confident82.9Confident9 Ų947.7 Ų47.74%0.04227%0.268CS..Hα-helixtrans-64.1-36.9174.2-75.4-167.6-179.100112.5R356 T362 R413 D414 Y415 I416R356-E360 HydrophobicContact CG-CG 4.47Å; R356-E360 IonicContact CZ-OE1 2.76Å; R356-E360 IonicContact NE-OE1 2.86Å; R356-E360 PolarHBondContact NE-OE1 2.69Å; R356-E360 IonicContact NH1-OE1 2.91Å; R356-E360 PolarHBondContact NH1-OE1 2.83Å; R356-E360 IonicContact NH2-OE1 2.67Å; R356-E360 PolarHBondContact NH2-OE1 3.01Å; R356-E360 WeakPolarHBondContact O-CB 3.32Å; R356-E360 WeakPolarHBondContact O-CG 3.43Å; R356-E360 PolarHBondContact O-N 3.48Å; E360-T362 VanDerWaalsContact C-N 3.34Å; E360-R413 PolarHBondContact O-NH1 2.9Å; E360-D414 PolarHBondContact OE1-N 3.37Å; E360-Y415 WeakPolarHBondContact OE2-CA 3.43Å; E360-Y415 PolarHBondContact OE2-N 2.63Å; E360-I416 PolarHBondContact OE2-N 3.12Å
361A73.3Confident82.4Confident41 Ų4153.4 Ų53.434%0.33928%0.283SS..Hα-helixtrans-71.7-27.5178.900000113.3V357 F358 H359V357-A361 WeakPolarHBondContact O-CB 3.42Å; V357-A361 PolarHBondContact O-N 2.95Å; V357-A361 VanDerWaalsContact O-N 3.1Å; F358-A361 PolarHBondContact O-N 3.15Å; H359-A361 VanDerWaalsContact C-N 3.3Å; H359-A361 PolarHBondContact O-N 2.84Å
362T76.5Confident82Confident62 Ų6253.8 Ų53.838%0.3828%0.277SS..Hα-helixtrans-114.8-14.1-164.259.30000114.2F358 H359 E360 E422F358-T362 WeakPolarHBondContact O-CB 3.26Å; F358-T362 WeakPolarHBondContact O-CG2 3.32Å; F358-T362 PolarHBondContact O-N 3.49Å; F358-T362 PolarHBondContact O-OG1 3.35Å; H359-T362 PolarHBondContact O-N 3.05Å; E360-T362 VanDerWaalsContact C-N 3.34Å; T362-E422 HydrophobicContact CG2-CG 3.83Å; T362-E422 WeakPolarHBondContact CG2-OE1 3.32Å
363Q80.5Confident81.7Confident41 Ų4153 Ų5319%0.19227%0.271CS..SBendtrans-118.3152.7-171.7-52.4-156-27.200113.9H359 A367 L368 R413H359-Q363 HydrophobicContact CB-CG 4.49Å; H359-Q363 VanDerWaalsContact O-CB 3.27Å; H359-Q363 WeakPolarHBondContact O-CB 3.39Å; H359-Q363 WeakPolarHBondContact O-CG 3.43Å; H359-Q363 PolarHBondContact O-N 2.89Å; Q363-A367 HydrophobicContact CB-CB 4.31Å; Q363-L368 HydrophobicContact CB-CD2 4.19Å; Q363-L368 HydrophobicContact CB-CG 4.05Å; Q363-R413 PolarHBondContact O-NH2 3.36Å
364S83.8Confident81.5Confident61 Ų6154.1 Ų54.143%0.42728%0.28SS..  trans-72157.1170.786.10000111.5E366 A367 L368S364-E366 PolarHBondContact O-N 3.14Å; S364-E366 PolarHBondContact OG-OE2 3.16Å; S364-E366 VanDerWaalsContact OG-OE2 3.05Å; S364-A367 WeakPolarHBondContact O-CB 3.43Å; S364-A367 PolarHBondContact O-N 3.38Å; S364-A367 VanDerWaalsContact O-N 3.09Å; S364-A367 PolarHBondContact OG-N 3.39Å; S364-L368 PolarHBondContact O-N 3.05Å
365D83.7Confident81.6Confident28 Ų2856 Ų5615%0.1529%0.29CS..Hα-helixtrans-58.2-39.1179.3-62.137.9000110.6A367 L368 Y369 F408 S409 V412 R413D365-A367 PolarHBondContact O-N 2.81Å; D365-L368 PolarHBondContact O-N 3.45Å; D365-Y369 VanDerWaalsContact O-CB 3.31Å; D365-Y369 WeakPolarHBondContact O-CB 3.49Å; D365-Y369 PolarHBondContact O-N 2.89Å; D365-F408 HydrophobicContact CB-CD1 4.12Å; D365-F408 HydrophobicContact CB-CE1 3.71Å; D365-S409 VanDerWaalsContact OD2-CA 3.32Å; D365-S409 WeakPolarHBondContact OD2-CA 3.45Å; D365-S409 WeakPolarHBondContact OD2-CB 3.49Å; D365-S409 PolarHBondContact OD2-OG 3.13Å; D365-V412 HydrophobicContact CB-CG2 3.88Å; D365-R413 VanDerWaalsContact CG-NE 3.27Å; D365-R413 IonicContact OD1-CZ 2.64Å; D365-R413 IonicContact OD1-NE 3.61Å; D365-R413 PolarHBondContact OD1-NE 3.24Å; D365-R413 IonicContact OD1-NH2 3.18Å; D365-R413 PolarHBondContact OD1-NH2 3.03Å; D365-R413 IonicContact OD2-NE 3.99Å; D365-R413 PolarHBondContact OD2-NE 3.28Å
366E83.4Confident81.2Confident105 Ų10560.9 Ų60.949%0.49130%0.303SS..Hα-helixtrans-65.3-39.4177.6-60.878.4-171.600112.4S364 R370 F408S364-E366 PolarHBondContact O-N 3.14Å; S364-E366 PolarHBondContact OG-OE2 3.16Å; S364-E366 VanDerWaalsContact OG-OE2 3.05Å; E366-R370 WeakPolarHBondContact O-CB 3.27Å; E366-R370 VanDerWaalsContact O-CG 3.22Å; E366-R370 WeakPolarHBondContact O-CG 3.45Å; E366-R370 PolarHBondContact O-N 2.9Å; E366-F408 HydrophobicContact CG-CZ 4.45Å
367A84.5Confident81Confident35 Ų3566.4 Ų66.429%0.28935%0.345SS..Hα-helixtrans-66.3-44.217700000110.8Q363 S364 D365 R371Q363-A367 HydrophobicContact CB-CB 4.31Å; S364-A367 WeakPolarHBondContact O-CB 3.43Å; S364-A367 PolarHBondContact O-N 3.38Å; S364-A367 VanDerWaalsContact O-N 3.09Å; S364-A367 PolarHBondContact OG-N 3.39Å; D365-A367 PolarHBondContact O-N 2.81Å; A367-R371 WeakPolarHBondContact O-CG 3.21Å; A367-R371 PolarHBondContact O-N 3.33Å
368L82Confident81.1Confident7 Ų768 Ų684%0.03737%0.368CS..Hα-helixtrans-62-47.1175.2-70.7171.5000111.5H359 Q363 S364 D365 R370 R371 L372 V412 R413H359-L368 HydrophobicContact CB-CD2 3.85Å; Q363-L368 HydrophobicContact CB-CD2 4.19Å; Q363-L368 HydrophobicContact CB-CG 4.05Å; S364-L368 PolarHBondContact O-N 3.05Å; D365-L368 PolarHBondContact O-N 3.45Å; L368-R370 PolarHBondContact O-N 2.89Å; L368-R371 WeakPolarHBondContact O-CB 3.37Å; L368-R371 PolarHBondContact O-N 3.23Å; L368-R371 VanDerWaalsContact O-N 3.09Å; L368-L372 WeakPolarHBondContact O-CG 3.23Å; L368-L372 PolarHBondContact O-N 3.35Å; L368-V412 HydrophobicContact CB-CB 4.03Å; L368-V412 HydrophobicContact CB-CG2 4.28Å; L368-R413 HydrophobicContact CD1-CG 4.48Å
369Y83.6Confident81.3Confident8 Ų866.6 Ų66.63%0.03137%0.371CS..Hα-helixtrans-61.6-43.9-179.7-171.2-95.1000112.4D365 R371 L372 V373 P400 L403 F408 F411 V412D365-Y369 VanDerWaalsContact O-CB 3.31Å; D365-Y369 WeakPolarHBondContact O-CB 3.49Å; D365-Y369 PolarHBondContact O-N 2.89Å; Y369-R371 PolarHBondContact O-N 3.28Å; Y369-L372 PolarHBondContact O-N 2.64Å; Y369-V373 HydrophobicContact CD1-CB 4.48Å; Y369-V373 HydrophobicContact CD2-CG2 4.38Å; Y369-V373 HydrophobicContact CE1-CB 4.11Å; Y369-V373 HydrophobicContact CE1-CG2 4.47Å; Y369-V373 HydrophobicContact CE2-CG2 4.02Å; Y369-V373 PolarHBondContact O-N 3.41Å; Y369-P400 WeakPolarHBondContact OH-CA 3.29Å; Y369-P400 WeakPolarHBondContact OH-CB 3.48Å; Y369-P400 PolarHBondContact OH-O 2.8Å; Y369-L403 HydrophobicContact CE2-CD1 4.04Å; Y369-F408 VanDerWaalsContact CB-CE2 3.47Å; Y369-F408 HydrophobicContact CD1-CD2 4.33Å; Y369-F408 AromaticContact CD1-CE2 3.39Å; Y369-F408 HydrophobicContact CD1-CE2 3.39Å; Y369-F408 AromaticContact CD1-CZ 3.93Å; Y369-F408 HydrophobicContact CD1-CZ 3.93Å; Y369-F408 AromaticContact CD2-CD2 3.45Å; Y369-F408 HydrophobicContact CD2-CD2 3.45Å; Y369-F408 VanDerWaalsContact CD2-CD2 3.45Å; Y369-F408 AromaticContact CD2-CE2 3.19Å; Y369-F408 HydrophobicContact CD2-CE2 3.19Å; Y369-F408 HydrophobicContact CD2-CG 4.26Å; Y369-F408 AromaticContact CD2-CZ 3.8Å; Y369-F408 HydrophobicContact CD2-CZ 3.8Å; Y369-F408 HydrophobicContact CE1-CD2 4.4Å; Y369-F408 AromaticContact CE1-CE2 3.76Å; Y369-F408 HydrophobicContact CE1-CE2 3.76Å; Y369-F408 AromaticContact CE2-CD2 3.55Å; Y369-F408 HydrophobicContact CE2-CD2 3.55Å; Y369-F408 AromaticContact CE2-CE2 3.6Å; Y369-F408 HydrophobicContact CE2-CE2 3.6Å; Y369-F408 AromaticContact CG-CD2 3.84Å; Y369-F408 HydrophobicContact CG-CD2 3.84Å; Y369-F408 HydrophobicContact CG-CE1 4.37Å; Y369-F408 AromaticContact CG-CE2 3.04Å; Y369-F408 HydrophobicContact CG-CE2 3.04Å; Y369-F408 AromaticContact CG-CZ 3.38Å; Y369-F408 HydrophobicContact CG-CZ 3.38Å; Y369-F408 AromaticContact CZ-CE2 3.83Å; Y369-F411 AromaticContact CD2-CD1 3.99Å; Y369-F411 HydrophobicContact CD2-CD1 3.99Å; Y369-F411 HydrophobicContact CD2-CE1 4.23Å; Y369-F411 AromaticContact CE2-CD1 3.94Å; Y369-F411 HydrophobicContact CE2-CD1 3.94Å; Y369-F411 HydrophobicContact CE2-CE1 4.1Å; Y369-V412 HydrophobicContact CD2-CG1 3.55Å; Y369-V412 HydrophobicContact CG-CG1 4.11Å
370R84.1Confident81.6Confident171 Ų17167.8 Ų67.865%0.64537%0.373SS*.Hα-helixtrans-60.2-28.7177.4-75.2174.2-171.5-173.83.8112.2E366 L368 P374E366-R370 WeakPolarHBondContact O-CB 3.27Å; E366-R370 VanDerWaalsContact O-CG 3.22Å; E366-R370 WeakPolarHBondContact O-CG 3.45Å; E366-R370 PolarHBondContact O-N 2.9Å; L368-R370 PolarHBondContact O-N 2.89Å; R370-P374 WeakPolarHBondContact O-CA 3.28Å
371R80.9Confident81.9Confident142 Ų14271.9 Ų71.954%0.53640%0.398SS..Hα-helixtrans-80.6-43.8175.9-68.8172.2176.5-161.7-2.3112.3H359 A367 L368 Y369H359-R371 PolarHBondContact CE1-NH1 2.96Å; H359-R371 PolarHBondContact ND1-NH1 2.71Å; A367-R371 WeakPolarHBondContact O-CG 3.21Å; A367-R371 PolarHBondContact O-N 3.33Å; L368-R371 WeakPolarHBondContact O-CB 3.37Å; L368-R371 PolarHBondContact O-N 3.23Å; L368-R371 VanDerWaalsContact O-N 3.09Å; Y369-R371 PolarHBondContact O-N 3.28Å
372L81.1Confident82.5Confident63 Ų6370.8 Ų70.833%0.3339%0.386SS..Hα-helixtrans-69.7-43.4179.6-69.9170.8000111.7L368 Y369 P374 Q386 V412L368-L372 WeakPolarHBondContact O-CG 3.23Å; L368-L372 PolarHBondContact O-N 3.35Å; Y369-L372 PolarHBondContact O-N 2.64Å; L372-P374 VanDerWaalsContact C-CD 3.44Å; L372-P374 VanDerWaalsContact O-CD 3.25Å; L372-P374 WeakPolarHBondContact O-CD 3.21Å; L372-Q386 PolarHBondContact O-NE2 2.63Å; L372-V412 HydrophobicContact CD1-CB 3.95Å; L372-V412 HydrophobicContact CD1-CG1 3.92Å
373V84.4Confident82.8Confident1 Ų170.4 Ų70.41%0.00639%0.386CS..SBendtrans-119.673.4-179.8-163.70000109.4Y369 R380 F382 P400 F411Y369-V373 HydrophobicContact CD1-CB 4.48Å; Y369-V373 HydrophobicContact CD2-CG2 4.38Å; Y369-V373 HydrophobicContact CE1-CB 4.11Å; Y369-V373 HydrophobicContact CE1-CG2 4.47Å; Y369-V373 HydrophobicContact CE2-CG2 4.02Å; Y369-V373 PolarHBondContact O-N 3.41Å; V373-R380 HydrophobicContact CG1-CB 3.78Å; V373-R380 HydrophobicContact CG1-CG 4.07Å; V373-R380 WeakPolarHBondContact O-CD 3.42Å; V373-R380 PolarHBondContact O-NE 3.13Å; V373-F382 HydrophobicContact CG2-CD1 4.13Å; V373-F382 HydrophobicContact CG2-CE1 3.97Å; V373-P400 HydrophobicContact CG1-CB 4.24Å; V373-P400 HydrophobicContact CG1-CG 4.03Å; V373-F411 HydrophobicContact CG2-CE1 3.58Å; V373-F411 HydrophobicContact CG2-CZ 3.97Å
374P83.7Confident82.7Confident57 Ų5771.7 Ų71.737%0.3740%0.4SS..  trans-66.5151.7-179.729.8-35.3000110.7R370 L372 K376R370-P374 WeakPolarHBondContact O-CA 3.28Å; L372-P374 VanDerWaalsContact C-CD 3.44Å; L372-P374 VanDerWaalsContact O-CD 3.25Å; L372-P374 WeakPolarHBondContact O-CD 3.21Å; P374-K376 PolarHBondContact O-N 3.44Å
375L84.5Confident82.4Confident113 Ų11369.9 Ų69.959%0.59239%0.385SS*.  trans-71.2118.8173.1-155.4105.5000108.6R380L375-R380 HydrophobicContact CD1-CG 4.24Å
376K78.3Confident82.3Confident144 Ų14469.7 Ų69.763%0.62638%0.383SS*.BIsolated β-bridgetrans-117.1119.4175.7-68.8-173.7-179.8-179.10109P374 G378 A379P374-K376 PolarHBondContact O-N 3.44Å; K376-G378 PolarHBondContact O-N 2.78Å; K376-G378 VanDerWaalsContact O-N 3.15Å; K376-A379 PolarHBondContact N-O 3.44Å; K376-A379 PolarHBondContact O-N 3.44Å
377S78.7Confident82.4Confident138 Ų13868 Ų6897%0.96538%0.377SS*.THydrogen-bonded Turntrans5039.5-179.8-550000114.2A379S377-A379 VanDerWaalsContact C-N 3.34Å; S377-A379 PolarHBondContact O-N 2.63Å
378G80.9Confident82.1Confident63 Ų6368.9 Ų68.965%0.64938%0.38SS*.THydrogen-bonded Turntrans88-11.6178.200000115.6K376K376-G378 PolarHBondContact O-N 2.78Å; K376-G378 VanDerWaalsContact O-N 3.15Å
379A81Confident81.9Confident50 Ų5069.2 Ų69.241%0.41338%0.381SS..BIsolated β-bridgetrans-118.8149.5-179.900000111.9K376 S377K376-A379 PolarHBondContact N-O 3.44Å; K376-A379 PolarHBondContact O-N 3.44Å; S377-A379 VanDerWaalsContact C-N 3.34Å; S377-A379 PolarHBondContact O-N 2.63Å
380R85.8Confident81.9Confident85 Ų8568.9 Ų68.932%0.32138%0.38SS..  trans-97.3135.4162.5-74.3-172.7-179.3123.86.7107.6V373 L375 P400V373-R380 HydrophobicContact CG1-CB 3.78Å; V373-R380 HydrophobicContact CG1-CG 4.07Å; V373-R380 WeakPolarHBondContact O-CD 3.42Å; V373-R380 PolarHBondContact O-NE 3.13Å; L375-R380 HydrophobicContact CD1-CG 4.24Å; R380-P400 HydrophobicContact CB-CB 3.7Å; R380-P400 HydrophobicContact CB-CG 3.81Å; R380-P400 WeakPolarHBondContact O-CD 3.36Å; R380-P400 WeakPolarHBondContact O-CG 3.2Å
381T85.5Confident81.9Confident94 Ų9466.6 Ų66.658%0.57738%0.377SS*.  trans-136.5139.6174.955.50000108.3
382F85.9Confident81.8Confident19 Ų1964.9 Ų64.98%0.08337%0.373CS..  trans-71.4138.3171.1-64.9-58.1000110.7V373 Q386 I387 L390 E398 P400 L403 F411V373-F382 HydrophobicContact CG2-CD1 4.13Å; V373-F382 HydrophobicContact CG2-CE1 3.97Å; F382-Q386 HydrophobicContact CB-CB 4Å; F382-Q386 HydrophobicContact CD1-CB 3.96Å; F382-Q386 HydrophobicContact CG-CB 4.36Å; F382-I387 HydrophobicContact CB-CD1 4.48Å; F382-I387 HydrophobicContact CB-CG1 3.82Å; F382-L390 HydrophobicContact CD1-CD1 4.14Å; F382-L390 HydrophobicContact CD2-CD1 3.56Å; F382-L390 HydrophobicContact CE1-CD1 4.06Å; F382-L390 HydrophobicContact CE2-CD1 3.47Å; F382-L390 VanDerWaalsContact CE2-CD1 3.47Å; F382-L390 HydrophobicContact CG-CD1 3.9Å; F382-L390 HydrophobicContact CZ-CD1 3.72Å; F382-E398 WeakPolarHBondContact CD2-O 3.27Å; F382-P400 HydrophobicContact CD1-CG 4.09Å; F382-P400 HydrophobicContact CD2-CG 3.9Å; F382-P400 HydrophobicContact CE1-CB 4.25Å; F382-P400 HydrophobicContact CE1-CG 3.98Å; F382-P400 HydrophobicContact CE2-CB 4.25Å; F382-P400 HydrophobicContact CE2-CG 3.78Å; F382-P400 HydrophobicContact CG-CG 4.05Å; F382-P400 VanDerWaalsContact CZ-CA 3.41Å; F382-P400 HydrophobicContact CZ-CB 3.95Å; F382-P400 HydrophobicContact CZ-CG 3.83Å; F382-L403 HydrophobicContact CE1-CD1 4.32Å; F382-L403 HydrophobicContact CZ-CD1 3.7Å; F382-L403 HydrophobicContact CZ-CD2 4.45Å; F382-L403 HydrophobicContact CZ-CG 4.05Å; F382-F411 HydrophobicContact CD1-CE2 4.41Å; F382-F411 HydrophobicContact CD1-CZ 4.01Å; F382-F411 HydrophobicContact CE1-CE1 4.07Å; F382-F411 HydrophobicContact CE1-CE2 4.18Å; F382-F411 AromaticContact CE1-CZ 3.79Å; F382-F411 HydrophobicContact CE1-CZ 3.79Å
383S81.7Confident81.8Confident53 Ų5363.7 Ų63.737%0.37137%0.367SS..  trans-73.5163.3164.464.20000110.7I385 Q386 I387S383-I385 PolarHBondContact O-N 3.09Å; S383-Q386 WeakPolarHBondContact O-CB 3.18Å; S383-Q386 PolarHBondContact O-N 2.95Å; S383-Q386 VanDerWaalsContact OG-CG 3.3Å; S383-Q386 WeakPolarHBondContact OG-CG 3.38Å; S383-Q386 PolarHBondContact OG-N 3.18Å; S383-Q386 PolarHBondContact OG-OE1 2.63Å; S383-Q386 VanDerWaalsContact OG-OE1 3.09Å; S383-I387 WeakPolarHBondContact O-CG1 3.35Å; S383-I387 PolarHBondContact O-N 3.37Å
384S79.8Confident81.7Confident69 Ų6966.6 Ų66.648%0.48340%0.397SS..Hα-helixtrans-54.7-38.1176.563.90000112.7Q386 I387 S388 R453S384-Q386 VanDerWaalsContact C-N 3.34Å; S384-I387 PolarHBondContact O-N 2.8Å; S384-S388 PolarHBondContact O-N 2.92Å; S384-S388 PolarHBondContact O-OG 2.92Å; S384-R453 PolarHBondContact OG-NH2 3.44Å
385I77.3Confident81.8Confident22 Ų2264.1 Ų64.111%0.11338%0.38CS..Hα-helixtrans-63.9-42177.6-61.4171.3000110.5S383 I387 S388 R389 D473S383-I385 PolarHBondContact O-N 3.09Å; I385-I387 VanDerWaalsContact C-N 3.34Å; I385-S388 PolarHBondContact O-N 2.92Å; I385-R389 PolarHBondContact O-N 3.22Å; I385-D473 HydrophobicContact CG2-CB 4.1Å; I385-D473 WeakPolarHBondContact CG2-O 3.37Å
386Q82.1Confident81.9Confident24 Ų2466 Ų6611%0.11239%0.391CS..Hα-helixtrans-68.9-34.3178.3-70.1168.7-36.300112.1L372 F382 S383 S384 R389 L390 F411L372-Q386 PolarHBondContact O-NE2 2.63Å; F382-Q386 HydrophobicContact CB-CB 4Å; F382-Q386 HydrophobicContact CD1-CB 3.96Å; F382-Q386 HydrophobicContact CG-CB 4.36Å; S383-Q386 WeakPolarHBondContact O-CB 3.18Å; S383-Q386 PolarHBondContact O-N 2.95Å; S383-Q386 VanDerWaalsContact OG-CG 3.3Å; S383-Q386 WeakPolarHBondContact OG-CG 3.38Å; S383-Q386 PolarHBondContact OG-N 3.18Å; S383-Q386 PolarHBondContact OG-OE1 2.63Å; S383-Q386 VanDerWaalsContact OG-OE1 3.09Å; S384-Q386 VanDerWaalsContact C-N 3.34Å; Q386-R389 PolarHBondContact O-N 3.15Å; Q386-L390 VanDerWaalsContact O-CG 3.3Å; Q386-L390 WeakPolarHBondContact O-CG 3.36Å; Q386-L390 PolarHBondContact O-N 3.24Å; Q386-F411 HydrophobicContact CB-CE2 3.91Å; Q386-F411 HydrophobicContact CB-CZ 3.87Å; Q386-F411 HydrophobicContact CG-CE2 4.16Å; Q386-F411 HydrophobicContact CG-CZ 3.74Å
387I84Confident82.2Confident71 Ų7161.7 Ų61.736%0.36437%0.372SS..Hα-helixtrans-64.5-45.9172.6-65.1169.8000110.3F382 S383 S384 I385 R389 L390 Q391F382-I387 HydrophobicContact CB-CD1 4.48Å; F382-I387 HydrophobicContact CB-CG1 3.82Å; S383-I387 WeakPolarHBondContact O-CG1 3.35Å; S383-I387 PolarHBondContact O-N 3.37Å; S384-I387 PolarHBondContact O-N 2.8Å; I385-I387 VanDerWaalsContact C-N 3.34Å; I387-R389 VanDerWaalsContact C-N 3.26Å; I387-R389 PolarHBondContact O-N 2.74Å; I387-L390 PolarHBondContact O-N 3.06Å; I387-L390 VanDerWaalsContact O-N 3.12Å; I387-Q391 HydrophobicContact CG2-CG 4.49Å; I387-Q391 WeakPolarHBondContact O-CG 2.99Å; I387-Q391 PolarHBondContact O-N 3.43Å
388S78.3Confident82.4Confident52 Ų5263.2 Ų63.236%0.36436%0.364SS..Hα-helixtrans-57.8-40175.1-61.20000112S384 I385 Q391 K392S384-S388 PolarHBondContact O-N 2.92Å; S384-S388 PolarHBondContact O-OG 2.92Å; I385-S388 PolarHBondContact O-N 2.92Å; S388-Q391 PolarHBondContact O-N 3.43Å; S388-K392 WeakPolarHBondContact O-CB 3.39Å; S388-K392 PolarHBondContact O-N 3.04Å
389R78.8Confident82.4Confident14 Ų1466.8 Ų66.85%0.05336%0.358CS..Hα-helixtrans-64-45.4173.1-179.2175.2175.175.62112.7I385 Q386 I387 Q391 K392 L393 R410 F411 D414 D474I385-R389 PolarHBondContact O-N 3.22Å; Q386-R389 PolarHBondContact O-N 3.15Å; I387-R389 VanDerWaalsContact C-N 3.26Å; I387-R389 PolarHBondContact O-N 2.74Å; R389-Q391 VanDerWaalsContact C-N 3.31Å; R389-Q391 PolarHBondContact O-N 2.93Å; R389-K392 WeakPolarHBondContact O-CB 3.4Å; R389-K392 PolarHBondContact O-N 3.2Å; R389-L393 HydrophobicContact CG-CD1 4.15Å; R389-L393 WeakPolarHBondContact O-CG 3.46Å; R389-L393 PolarHBondContact O-N 2.93Å; R389-R410 PolarHBondContact NH2-O 3.3Å; R389-F411 HydrophobicContact CG-CD2 4.45Å; R389-F411 PolarHBondContact NE-O 2.99Å; R389-F411 PolarHBondContact NH2-O 3.37Å; R389-D414 IonicContact CZ-OD1 3.57Å; R389-D414 IonicContact CZ-OD2 2.68Å; R389-D414 VanDerWaalsContact NH1-CG 3.31Å; R389-D414 IonicContact NH1-OD1 3.31Å; R389-D414 PolarHBondContact NH1-OD1 3.18Å; R389-D414 IonicContact NH1-OD2 2.65Å; R389-D414 PolarHBondContact NH1-OD2 3.17Å; R389-D414 VanDerWaalsContact NH1-OD2 3.14Å; R389-D414 IonicContact NH2-OD1 2.65Å; R389-D414 PolarHBondContact NH2-OD1 3.1Å; R389-D414 IonicContact NH2-OD2 2.72Å; R389-D414 PolarHBondContact NH2-OD2 3.18Å; R389-D414 VanDerWaalsContact NH2-OD2 3.14Å; R389-D474 IonicContact NH1-OD1 2.82Å; R389-D474 PolarHBondContact NH1-OD1 3.33Å
390L83.9Confident82.5Confident2 Ų264.7 Ų64.71%0.0134%0.34CS..Hα-helixtrans-59.9-43.2176.9-72.6166.5000111.4F382 Q386 I387 K392 L393 G394 I395 L403 F411F382-L390 HydrophobicContact CD1-CD1 4.14Å; F382-L390 HydrophobicContact CD2-CD1 3.56Å; F382-L390 HydrophobicContact CE1-CD1 4.06Å; F382-L390 HydrophobicContact CE2-CD1 3.47Å; F382-L390 VanDerWaalsContact CE2-CD1 3.47Å; F382-L390 HydrophobicContact CG-CD1 3.9Å; F382-L390 HydrophobicContact CZ-CD1 3.72Å; Q386-L390 VanDerWaalsContact O-CG 3.3Å; Q386-L390 WeakPolarHBondContact O-CG 3.36Å; Q386-L390 PolarHBondContact O-N 3.24Å; I387-L390 PolarHBondContact O-N 3.06Å; I387-L390 VanDerWaalsContact O-N 3.12Å; L390-K392 PolarHBondContact O-N 2.9Å; L390-L393 CarbonylContact O-C 3.57Å; L390-L393 WeakPolarHBondContact O-CA 3.34Å; L390-L393 PolarHBondContact O-N 2.86Å; L390-L393 VanDerWaalsContact O-N 3.11Å; L390-G394 PolarHBondContact O-N 2.76Å; L390-G394 VanDerWaalsContact O-N 3.11Å; L390-I395 CarbonylContact C-O 3.57Å; L390-I395 HydrophobicContact CB-CB 4.3Å; L390-I395 HydrophobicContact CD2-CB 3.96Å; L390-I395 HydrophobicContact CD2-CD1 3.96Å; L390-I395 HydrophobicContact CD2-CG2 3.89Å; L390-I395 PolarHBondContact O-N 2.77Å; L390-L403 HydrophobicContact CD2-CD1 4.49Å; L390-L403 HydrophobicContact CD2-CD2 3.89Å; L390-F411 HydrophobicContact CD2-CB 4.47Å; L390-F411 HydrophobicContact CD2-CD2 3.62Å; L390-F411 HydrophobicContact CD2-CE2 4.23Å; L390-F411 HydrophobicContact CD2-CG 4.29Å; L390-F411 HydrophobicContact CG-CD2 3.93Å; L390-F411 HydrophobicContact CG-CE2 4.08Å
391Q84Confident82.4Confident123 Ų12365.9 Ų65.958%0.57535%0.349SS*.Hα-helixtrans-59.8-44.8174.3-71172.8-15.200111.6I387 S388 R389 L393 G394I387-Q391 HydrophobicContact CG2-CG 4.49Å; I387-Q391 WeakPolarHBondContact O-CG 2.99Å; I387-Q391 PolarHBondContact O-N 3.43Å; S388-Q391 PolarHBondContact O-N 3.43Å; R389-Q391 VanDerWaalsContact C-N 3.31Å; R389-Q391 PolarHBondContact O-N 2.93Å; Q391-L393 PolarHBondContact O-N 3.42Å; Q391-G394 PolarHBondContact O-N 3.46Å
392K77.3Confident82.4Confident106 Ų10665.6 Ų65.646%0.46134%0.341SS..Hα-helixtrans-60.3-34174.7-174.3177.6175.9-178.80112.5S388 R389 L390 G394 P469 D474S388-K392 WeakPolarHBondContact O-CB 3.39Å; S388-K392 PolarHBondContact O-N 3.04Å; R389-K392 WeakPolarHBondContact O-CB 3.4Å; R389-K392 PolarHBondContact O-N 3.2Å; L390-K392 PolarHBondContact O-N 2.9Å; K392-G394 VanDerWaalsContact C-N 3.27Å; K392-G394 PolarHBondContact O-N 2.97Å; K392-P469 PolarHBondContact NZ-O 3.37Å; K392-D474 IonicContact NZ-OD1 3.64Å; K392-D474 IonicContact NZ-OD2 3.07Å; K392-D474 PolarHBondContact NZ-OD2 3.15Å
393L81.4Confident82.4Confident38 Ų3865.7 Ų65.720%0.19934%0.343CS..THydrogen-bonded Turntrans-80.9-2175.2-65.3173.1000113.6R389 L390 Q391 I395 R410 F411R389-L393 HydrophobicContact CG-CD1 4.15Å; R389-L393 WeakPolarHBondContact O-CG 3.46Å; R389-L393 PolarHBondContact O-N 2.93Å; L390-L393 CarbonylContact O-C 3.57Å; L390-L393 WeakPolarHBondContact O-CA 3.34Å; L390-L393 PolarHBondContact O-N 2.86Å; L390-L393 VanDerWaalsContact O-N 3.11Å; Q391-L393 PolarHBondContact O-N 3.42Å; L393-I395 VanDerWaalsContact C-N 3.32Å; L393-I395 HydrophobicContact CB-CD1 3.78Å; L393-I395 HydrophobicContact CB-CG1 4.05Å; L393-I395 HydrophobicContact CD1-CD1 4.16Å; L393-R410 HydrophobicContact CD1-CB 4.5Å; L393-R410 PolarHBondContact O-NH2 3.16Å; L393-F411 HydrophobicContact CD1-CB 4.49Å
394G84Confident82.6Confident61 Ų6165.8 Ų65.863%0.62934%0.341SS*.THydrogen-bonded Turntrans70.725.1-17600000113.8L390 Q391 K392L390-G394 PolarHBondContact O-N 2.76Å; L390-G394 VanDerWaalsContact O-N 3.11Å; Q391-G394 PolarHBondContact O-N 3.46Å; K392-G394 VanDerWaalsContact C-N 3.27Å; K392-G394 PolarHBondContact O-N 2.97Å
395I85.3Confident82.6Confident5 Ų571 Ų713%0.02636%0.355CS..  trans-102.9107.8-178.9-57.6166.1000108.7L390 L393 K397 L403 E407L390-I395 CarbonylContact C-O 3.57Å; L390-I395 HydrophobicContact CB-CB 4.3Å; L390-I395 HydrophobicContact CD2-CB 3.96Å; L390-I395 HydrophobicContact CD2-CD1 3.96Å; L390-I395 HydrophobicContact CD2-CG2 3.89Å; L390-I395 PolarHBondContact O-N 2.77Å; L393-I395 VanDerWaalsContact C-N 3.32Å; L393-I395 HydrophobicContact CB-CD1 3.78Å; L393-I395 HydrophobicContact CB-CG1 4.05Å; L393-I395 HydrophobicContact CD1-CD1 4.16Å; I395-K397 VanDerWaalsContact C-N 3.35Å; I395-K397 HydrophobicContact CG2-CB 4.07Å; I395-K397 HydrophobicContact CG2-CD 4.16Å; I395-K397 HydrophobicContact CG2-CG 4.11Å; I395-K397 PolarHBondContact O-N 3.06Å; I395-L403 HydrophobicContact CG2-CD2 3.72Å; I395-E407 HydrophobicContact CD1-CB 3.84Å; I395-E407 HydrophobicContact CD1-CG 3.98Å; I395-E407 HydrophobicContact CG1-CB 4.48Å; I395-E407 HydrophobicContact CG1-CG 4.11Å; I395-E407 HydrophobicContact CG2-CG 4.48Å
396N85.5Confident82.8Confident154 Ų15476.2 Ų76.282%0.82438%0.379SS*.  trans-9560179.7-65.4-25.8000111.1
397K85.9Confident83Confident52 Ų5276.8 Ų76.823%0.22638%0.382CS..  trans-126.1131.3178.8-66.6178174.4179.60109.8I395 E402 L403 E407I395-K397 VanDerWaalsContact C-N 3.35Å; I395-K397 HydrophobicContact CG2-CB 4.07Å; I395-K397 HydrophobicContact CG2-CD 4.16Å; I395-K397 HydrophobicContact CG2-CG 4.11Å; I395-K397 PolarHBondContact O-N 3.06Å; K397-E402 HydrophobicContact CB-CB 4.38Å; K397-E402 HydrophobicContact CD-CB 3.98Å; K397-E402 WeakPolarHBondContact CD-O 3.4Å; K397-E402 WeakPolarHBondContact CE-O 3.5Å; K397-E402 HydrophobicContact CG-CB 4.39Å; K397-E402 PolarHBondContact NZ-O 3.02Å; K397-L403 HydrophobicContact CB-CD2 4.31Å; K397-L403 HydrophobicContact CD-CD2 4.16Å; K397-E407 WeakPolarHBondContact CD-OE2 3.41Å; K397-E407 WeakPolarHBondContact CE-OE2 3.5Å; K397-E407 IonicContact NZ-OE1 2.96Å; K397-E407 PolarHBondContact NZ-OE1 2.77Å; K397-E407 IonicContact NZ-OE2 2.68Å; K397-E407 PolarHBondContact NZ-OE2 3.19Å
398E81.5Confident82.9Confident170 Ų17075.2 Ų75.279%0.79437%0.373SS*.  trans-95.9-21-175.6-62.9-173.9171.200112.4F382F382-E398 WeakPolarHBondContact CD2-O 3.27Å
399R82.5Confident82.9Confident139 Ų13973.9 Ų73.953%0.52536%0.363SS..SBendtrans-107.9128.3-174.9-64.3179.363.1-173.31111.5E401 E402R399-E401 HydrophobicContact CB-CG 4.17Å; R399-E401 IonicContact CZ-OE1 2.95Å; R399-E401 IonicContact NE-OE1 2.93Å; R399-E401 PolarHBondContact NE-OE1 3.26Å; R399-E401 IonicContact NH2-OE1 3.27Å; R399-E401 PolarHBondContact NH2-OE1 3.42Å; R399-E401 PolarHBondContact O-N 2.87Å; R399-E401 VanDerWaalsContact O-N 3.17Å; R399-E402 HydrophobicContact CB-CG 3.9Å; R399-E402 WeakPolarHBondContact CD-OE1 3.48Å; R399-E402 WeakPolarHBondContact O-CB 3.26Å; R399-E402 PolarHBondContact O-N 2.84Å
400P82.9Confident83Confident6 Ų678.5 Ų78.54%0.03938%0.38CS..G310 helixtrans-50.9-38.5179.3-3542.4000115.5Y369 V373 R380 F382 E402Y369-P400 WeakPolarHBondContact OH-CA 3.29Å; Y369-P400 WeakPolarHBondContact OH-CB 3.48Å; Y369-P400 PolarHBondContact OH-O 2.8Å; V373-P400 HydrophobicContact CG1-CB 4.24Å; V373-P400 HydrophobicContact CG1-CG 4.03Å; R380-P400 HydrophobicContact CB-CB 3.7Å; R380-P400 HydrophobicContact CB-CG 3.81Å; R380-P400 WeakPolarHBondContact O-CD 3.36Å; R380-P400 WeakPolarHBondContact O-CG 3.2Å; F382-P400 HydrophobicContact CD1-CG 4.09Å; F382-P400 HydrophobicContact CD2-CG 3.9Å; F382-P400 HydrophobicContact CE1-CB 4.25Å; F382-P400 HydrophobicContact CE1-CG 3.98Å; F382-P400 HydrophobicContact CE2-CB 4.25Å; F382-P400 HydrophobicContact CE2-CG 3.78Å; F382-P400 HydrophobicContact CG-CG 4.05Å; F382-P400 VanDerWaalsContact CZ-CA 3.41Å; F382-P400 HydrophobicContact CZ-CB 3.95Å; F382-P400 HydrophobicContact CZ-CG 3.83Å; P400-E402 VanDerWaalsContact C-N 3.26Å; P400-E402 PolarHBondContact O-N 2.93Å
401E83.1Confident82.9Confident109 Ų10978.5 Ų78.551%0.50938%0.38SS..G310 helixtrans-69.1-14.5178.553.7-89.8-157.100115.2R399R399-E401 HydrophobicContact CB-CG 4.17Å; R399-E401 IonicContact CZ-OE1 2.95Å; R399-E401 IonicContact NE-OE1 2.93Å; R399-E401 PolarHBondContact NE-OE1 3.26Å; R399-E401 IonicContact NH2-OE1 3.27Å; R399-E401 PolarHBondContact NH2-OE1 3.42Å; R399-E401 PolarHBondContact O-N 2.87Å; R399-E401 VanDerWaalsContact O-N 3.17Å
402E85.8Confident82.6Confident88 Ų8872.7 Ų72.741%0.41135%0.353SS..G310 helixtrans-86.7-12.8-178.8-67.6173.6178.800112.9K397 R399 P400 T404K397-E402 HydrophobicContact CB-CB 4.38Å; K397-E402 HydrophobicContact CD-CB 3.98Å; K397-E402 WeakPolarHBondContact CD-O 3.4Å; K397-E402 WeakPolarHBondContact CE-O 3.5Å; K397-E402 HydrophobicContact CG-CB 4.39Å; K397-E402 PolarHBondContact NZ-O 3.02Å; R399-E402 HydrophobicContact CB-CG 3.9Å; R399-E402 WeakPolarHBondContact CD-OE1 3.48Å; R399-E402 WeakPolarHBondContact O-CB 3.26Å; R399-E402 PolarHBondContact O-N 2.84Å; P400-E402 VanDerWaalsContact C-N 3.26Å; P400-E402 PolarHBondContact O-N 2.93Å; E402-T404 PolarHBondContact O-N 2.75Å
403L84.6Confident82.3Confident21 Ų2169.7 Ų69.711%0.1134%0.339CS..  trans-64.1131.5-179.4-64.7-175.7000111.2Y369 F382 L390 I395 K397 E407 F408 F411Y369-L403 HydrophobicContact CE2-CD1 4.04Å; F382-L403 HydrophobicContact CE1-CD1 4.32Å; F382-L403 HydrophobicContact CZ-CD1 3.7Å; F382-L403 HydrophobicContact CZ-CD2 4.45Å; F382-L403 HydrophobicContact CZ-CG 4.05Å; L390-L403 HydrophobicContact CD2-CD1 4.49Å; L390-L403 HydrophobicContact CD2-CD2 3.89Å; I395-L403 HydrophobicContact CG2-CD2 3.72Å; K397-L403 HydrophobicContact CB-CD2 4.31Å; K397-L403 HydrophobicContact CD-CD2 4.16Å; L403-E407 WeakPolarHBondContact CA-OE2 3.41Å; L403-E407 HydrophobicContact CB-CB 4.31Å; L403-E407 HydrophobicContact CD2-CB 4.14Å; L403-F408 HydrophobicContact CB-CB 4.42Å; L403-F411 HydrophobicContact CD1-CB 4.33Å; L403-F411 HydrophobicContact CD1-CD1 4.47Å; L403-F411 HydrophobicContact CD1-CG 4.38Å
404T85.8Confident81.1Confident56 Ų5668.6 Ų68.634%0.34433%0.333SS..  trans-68.3166.5168.279.70000110.2E402 E406 E407 F408E402-T404 PolarHBondContact O-N 2.75Å; T404-E406 WeakPolarHBondContact CB-OE2 3.34Å; T404-E406 PolarHBondContact O-N 2.79Å; T404-E406 PolarHBondContact OG1-N 3.05Å; T404-E406 PolarHBondContact OG1-OE2 3.1Å; T404-E407 PolarHBondContact N-OE2 2.98Å; T404-E407 PolarHBondContact O-N 3.02Å; T404-E407 PolarHBondContact OG1-N 3.31Å; T404-F408 WeakPolarHBondContact O-CB 3.28Å; T404-F408 PolarHBondContact O-N 3.36Å
405K81.7Confident79.6Confident179 Ų17970.8 Ų70.878%0.77832%0.323SS*.Hα-helixtrans-58.7-35.8176.6-72.5-173.1177.3-176.90112.2F408 S409K405-F408 WeakPolarHBondContact O-CB 3.28Å; K405-S409 WeakPolarHBondContact O-CB 3.24Å; K405-S409 PolarHBondContact O-N 2.66Å
406E81.6Confident77.9Confident130 Ų13071.6 Ų71.661%0.60733%0.327SS*.Hα-helixtrans-70.8-46.8178.7-58.570.7-15200111.1T404 F408 S409 R410T404-E406 WeakPolarHBondContact CB-OE2 3.34Å; T404-E406 PolarHBondContact O-N 2.79Å; T404-E406 PolarHBondContact OG1-N 3.05Å; T404-E406 PolarHBondContact OG1-OE2 3.1Å; E406-F408 VanDerWaalsContact C-N 3.31Å; E406-F408 PolarHBondContact O-N 3.05Å; E406-S409 PolarHBondContact O-N 3.06Å; E406-R410 WeakPolarHBondContact O-CB 3.44Å; E406-R410 VanDerWaalsContact O-CG 3.26Å; E406-R410 WeakPolarHBondContact O-CG 3.42Å; E406-R410 PolarHBondContact O-N 3.24Å
407E85Confident75.9Confident37 Ų3765.9 Ų65.917%0.17331%0.305CS..Hα-helixtrans-63.6-38.8175.9-70.1171.8161.400111.8I395 K397 L403 T404 R410 F411I395-E407 HydrophobicContact CD1-CB 3.84Å; I395-E407 HydrophobicContact CD1-CG 3.98Å; I395-E407 HydrophobicContact CG1-CB 4.48Å; I395-E407 HydrophobicContact CG1-CG 4.11Å; I395-E407 HydrophobicContact CG2-CG 4.48Å; K397-E407 WeakPolarHBondContact CD-OE2 3.41Å; K397-E407 WeakPolarHBondContact CE-OE2 3.5Å; K397-E407 IonicContact NZ-OE1 2.96Å; K397-E407 PolarHBondContact NZ-OE1 2.77Å; K397-E407 IonicContact NZ-OE2 2.68Å; K397-E407 PolarHBondContact NZ-OE2 3.19Å; L403-E407 WeakPolarHBondContact CA-OE2 3.41Å; L403-E407 HydrophobicContact CB-CB 4.31Å; L403-E407 HydrophobicContact CD2-CB 4.14Å; T404-E407 PolarHBondContact N-OE2 2.98Å; T404-E407 PolarHBondContact O-N 3.02Å; T404-E407 PolarHBondContact OG1-N 3.31Å; E407-R410 PolarHBondContact O-N 3.42Å; E407-F411 VanDerWaalsContact O-CB 3.23Å; E407-F411 WeakPolarHBondContact O-CB 3.35Å; E407-F411 PolarHBondContact O-N 2.95Å
408F81.5Confident73.9Confident38 Ų3870.7 Ų70.717%0.16733%0.328CS..Hα-helixtrans-59.4-49.8174.6178.1-85.5000111.5D365 E366 Y369 L403 T404 K405 E406 F411 V412D365-F408 HydrophobicContact CB-CD1 4.12Å; D365-F408 HydrophobicContact CB-CE1 3.71Å; E366-F408 HydrophobicContact CG-CZ 4.45Å; Y369-F408 VanDerWaalsContact CB-CE2 3.47Å; Y369-F408 HydrophobicContact CD1-CD2 4.33Å; Y369-F408 AromaticContact CD1-CE2 3.39Å; Y369-F408 HydrophobicContact CD1-CE2 3.39Å; Y369-F408 AromaticContact CD1-CZ 3.93Å; Y369-F408 HydrophobicContact CD1-CZ 3.93Å; Y369-F408 AromaticContact CD2-CD2 3.45Å; Y369-F408 HydrophobicContact CD2-CD2 3.45Å; Y369-F408 VanDerWaalsContact CD2-CD2 3.45Å; Y369-F408 AromaticContact CD2-CE2 3.19Å; Y369-F408 HydrophobicContact CD2-CE2 3.19Å; Y369-F408 HydrophobicContact CD2-CG 4.26Å; Y369-F408 AromaticContact CD2-CZ 3.8Å; Y369-F408 HydrophobicContact CD2-CZ 3.8Å; Y369-F408 HydrophobicContact CE1-CD2 4.4Å; Y369-F408 AromaticContact CE1-CE2 3.76Å; Y369-F408 HydrophobicContact CE1-CE2 3.76Å; Y369-F408 AromaticContact CE2-CD2 3.55Å; Y369-F408 HydrophobicContact CE2-CD2 3.55Å; Y369-F408 AromaticContact CE2-CE2 3.6Å; Y369-F408 HydrophobicContact CE2-CE2 3.6Å; Y369-F408 AromaticContact CG-CD2 3.84Å; Y369-F408 HydrophobicContact CG-CD2 3.84Å; Y369-F408 HydrophobicContact CG-CE1 4.37Å; Y369-F408 AromaticContact CG-CE2 3.04Å; Y369-F408 HydrophobicContact CG-CE2 3.04Å; Y369-F408 AromaticContact CG-CZ 3.38Å; Y369-F408 HydrophobicContact CG-CZ 3.38Å; Y369-F408 AromaticContact CZ-CE2 3.83Å; L403-F408 HydrophobicContact CB-CB 4.42Å; T404-F408 WeakPolarHBondContact O-CB 3.28Å; T404-F408 PolarHBondContact O-N 3.36Å; K405-F408 WeakPolarHBondContact O-CB 3.28Å; E406-F408 VanDerWaalsContact C-N 3.31Å; E406-F408 PolarHBondContact O-N 3.05Å; F408-F411 PolarHBondContact O-N 2.9Å; F408-V412 WeakPolarHBondContact O-CG2 3.32Å; F408-V412 PolarHBondContact O-N 2.96Å; F408-V412 VanDerWaalsContact O-N 3.07Å
409S79.8Confident72Confident23 Ų2366.7 Ų66.716%0.16132%0.319CS..Hα-helixtrans-61.2-45.7177.7-171.30000111.4D365 K405 E406 F411 V412 R413D365-S409 VanDerWaalsContact OD2-CA 3.32Å; D365-S409 WeakPolarHBondContact OD2-CA 3.45Å; D365-S409 WeakPolarHBondContact OD2-CB 3.49Å; D365-S409 PolarHBondContact OD2-OG 3.13Å; K405-S409 WeakPolarHBondContact O-CB 3.24Å; K405-S409 PolarHBondContact O-N 2.66Å; E406-S409 PolarHBondContact O-N 3.06Å; S409-F411 VanDerWaalsContact C-N 3.32Å; S409-F411 PolarHBondContact O-N 2.94Å; S409-V412 PolarHBondContact O-N 3.28Å; S409-R413 WeakPolarHBondContact O-CB 3.44Å; S409-R413 PolarHBondContact O-N 2.6Å
410R79.3Confident70.1Confident112 Ų11265 Ų6542%0.42333%0.326SS..Hα-helixtrans-63-36.2175.9-70.1172.964.7-152.7-4.8112.9R389 L393 E406 E407 R413R389-R410 PolarHBondContact NH2-O 3.3Å; L393-R410 HydrophobicContact CD1-CB 4.5Å; L393-R410 PolarHBondContact O-NH2 3.16Å; E406-R410 WeakPolarHBondContact O-CB 3.44Å; E406-R410 VanDerWaalsContact O-CG 3.26Å; E406-R410 WeakPolarHBondContact O-CG 3.42Å; E406-R410 PolarHBondContact O-N 3.24Å; E407-R410 PolarHBondContact O-N 3.42Å; R410-R413 VanDerWaalsContact O-O 3.13Å
411F82Confident68.2Low2 Ų270 Ų701%0.00936%0.357CS..Hα-helixtrans-67.9-39178.2173.6-101.3000111.5Y369 V373 F382 Q386 R389 L390 L393 L403 E407 F408 S409Y369-F411 AromaticContact CD2-CD1 3.99Å; Y369-F411 HydrophobicContact CD2-CD1 3.99Å; Y369-F411 HydrophobicContact CD2-CE1 4.23Å; Y369-F411 AromaticContact CE2-CD1 3.94Å; Y369-F411 HydrophobicContact CE2-CD1 3.94Å; Y369-F411 HydrophobicContact CE2-CE1 4.1Å; V373-F411 HydrophobicContact CG2-CE1 3.58Å; V373-F411 HydrophobicContact CG2-CZ 3.97Å; F382-F411 HydrophobicContact CD1-CE2 4.41Å; F382-F411 HydrophobicContact CD1-CZ 4.01Å; F382-F411 HydrophobicContact CE1-CE1 4.07Å; F382-F411 HydrophobicContact CE1-CE2 4.18Å; F382-F411 AromaticContact CE1-CZ 3.79Å; F382-F411 HydrophobicContact CE1-CZ 3.79Å; Q386-F411 HydrophobicContact CB-CE2 3.91Å; Q386-F411 HydrophobicContact CB-CZ 3.87Å; Q386-F411 HydrophobicContact CG-CE2 4.16Å; Q386-F411 HydrophobicContact CG-CZ 3.74Å; R389-F411 HydrophobicContact CG-CD2 4.45Å; R389-F411 PolarHBondContact NE-O 2.99Å; R389-F411 PolarHBondContact NH2-O 3.37Å; L390-F411 HydrophobicContact CD2-CB 4.47Å; L390-F411 HydrophobicContact CD2-CD2 3.62Å; L390-F411 HydrophobicContact CD2-CE2 4.23Å; L390-F411 HydrophobicContact CD2-CG 4.29Å; L390-F411 HydrophobicContact CG-CD2 3.93Å; L390-F411 HydrophobicContact CG-CE2 4.08Å; L393-F411 HydrophobicContact CD1-CB 4.49Å; L403-F411 HydrophobicContact CD1-CB 4.33Å; L403-F411 HydrophobicContact CD1-CD1 4.47Å; L403-F411 HydrophobicContact CD1-CG 4.38Å; E407-F411 VanDerWaalsContact O-CB 3.23Å; E407-F411 WeakPolarHBondContact O-CB 3.35Å; E407-F411 PolarHBondContact O-N 2.95Å; F408-F411 PolarHBondContact O-N 2.9Å; S409-F411 VanDerWaalsContact C-N 3.32Å; S409-F411 PolarHBondContact O-N 2.94Å
412V79.3Confident66.6Low0 Ų069.9 Ų69.90%036%0.356CS..Hα-helixtrans-93.1-14.8-176.6-550000115.2R356 D365 L368 Y369 L372 F408 S409R356-V412 PolarHBondContact NH1-O 3.28Å; R356-V412 PolarHBondContact NH2-O 3.31Å; D365-V412 HydrophobicContact CB-CG2 3.88Å; L368-V412 HydrophobicContact CB-CB 4.03Å; L368-V412 HydrophobicContact CB-CG2 4.28Å; Y369-V412 HydrophobicContact CD2-CG1 3.55Å; Y369-V412 HydrophobicContact CG-CG1 4.11Å; L372-V412 HydrophobicContact CD1-CB 3.95Å; L372-V412 HydrophobicContact CD1-CG1 3.92Å; F408-V412 WeakPolarHBondContact O-CG2 3.32Å; F408-V412 PolarHBondContact O-N 2.96Å; F408-V412 VanDerWaalsContact O-N 3.07Å; S409-V412 PolarHBondContact O-N 3.28Å
413R69.2Low64.6Low44 Ų4474.5 Ų74.517%0.16638%0.38CS..  trans-118127.5178.8-60.3-170.7173.1-81.9-4.6111.4E360 Q363 D365 L368 S409 R410 Y415E360-R413 PolarHBondContact O-NH1 2.9Å; Q363-R413 PolarHBondContact O-NH2 3.36Å; D365-R413 VanDerWaalsContact CG-NE 3.27Å; D365-R413 IonicContact OD1-CZ 2.64Å; D365-R413 IonicContact OD1-NE 3.61Å; D365-R413 PolarHBondContact OD1-NE 3.24Å; D365-R413 IonicContact OD1-NH2 3.18Å; D365-R413 PolarHBondContact OD1-NH2 3.03Å; D365-R413 IonicContact OD2-NE 3.99Å; D365-R413 PolarHBondContact OD2-NE 3.28Å; L368-R413 HydrophobicContact CD1-CG 4.48Å; S409-R413 WeakPolarHBondContact O-CB 3.44Å; S409-R413 PolarHBondContact O-N 2.6Å; R410-R413 VanDerWaalsContact O-O 3.13Å; R413-Y415 HydrophobicContact CB-CD2 4.47Å; R413-Y415 HydrophobicContact CB-CE2 4.36Å
414D56.5Low63Low14 Ų1475.9 Ų75.98%0.07540%0.399CS..  trans-97.83.6164.8-71-57.9000112.2R356 E360 R389 I416 D464 V470R356-D414 IonicContact CZ-OD2 3Å; R356-D414 IonicContact NE-OD2 3.13Å; R356-D414 IonicContact NH2-OD2 3.84Å; R356-D414 PolarHBondContact NH2-OD2 3.47Å; E360-D414 PolarHBondContact OE1-N 3.37Å; R389-D414 IonicContact CZ-OD1 3.57Å; R389-D414 IonicContact CZ-OD2 2.68Å; R389-D414 VanDerWaalsContact NH1-CG 3.31Å; R389-D414 IonicContact NH1-OD1 3.31Å; R389-D414 PolarHBondContact NH1-OD1 3.18Å; R389-D414 IonicContact NH1-OD2 2.65Å; R389-D414 PolarHBondContact NH1-OD2 3.17Å; R389-D414 VanDerWaalsContact NH1-OD2 3.14Å; R389-D414 IonicContact NH2-OD1 2.65Å; R389-D414 PolarHBondContact NH2-OD1 3.1Å; R389-D414 IonicContact NH2-OD2 2.72Å; R389-D414 PolarHBondContact NH2-OD2 3.18Å; R389-D414 VanDerWaalsContact NH2-OD2 3.14Å; D414-I416 VanDerWaalsContact C-N 3.32Å; D414-I416 HydrophobicContact CB-CD1 3.77Å; D414-I416 HydrophobicContact CB-CG1 3.65Å; D414-I416 PolarHBondContact O-N 3.34Å; D414-D464 WeakPolarHBondContact O-CB 3.3Å; D414-V470 HydrophobicContact CB-CG2 4.48Å
415Y53.9Low61.5Low107 Ų10777.3 Ų77.342%0.4240%0.403SS..  trans4555.4-175.7-63.9-77.3000111.9E360 R413 K465E360-Y415 WeakPolarHBondContact OE2-CA 3.43Å; E360-Y415 PolarHBondContact OE2-N 2.63Å; R413-Y415 HydrophobicContact CB-CD2 4.47Å; R413-Y415 HydrophobicContact CB-CE2 4.36Å; Y415-K465 WeakPolarHBondContact O-CE 3.45Å; Y415-K465 VanDerWaalsContact O-CG 3.28Å; Y415-K465 WeakPolarHBondContact O-CG 3.24Å
416I49.3Very low60.5Low22 Ų2278 Ų7811%0.11341%0.406CS..  trans-98.2113.9175.1-43.6176.8000107.9R356 V357 E360 D414 V470R356-I416 HydrophobicContact CG-CD1 4.29Å; V357-I416 HydrophobicContact CG2-CB 4.12Å; V357-I416 HydrophobicContact CG2-CG2 3.62Å; E360-I416 PolarHBondContact OE2-N 3.12Å; D414-I416 VanDerWaalsContact C-N 3.32Å; D414-I416 HydrophobicContact CB-CD1 3.77Å; D414-I416 HydrophobicContact CB-CG1 3.65Å; D414-I416 PolarHBondContact O-N 3.34Å; I416-V470 HydrophobicContact CD1-CB 4.43Å; I416-V470 HydrophobicContact CD1-CG1 3.91Å; I416-V470 HydrophobicContact CD1-CG2 3.95Å; I416-V470 HydrophobicContact CG1-CG2 4.41Å
417G42.3Very low59.9Low34 Ų3478 Ų7835%0.35140%0.401SS..SBendtrans93.7141.6176.800000116.4K465G417-K465 VanDerWaalsContact C-CE 3.47Å; G417-K465 WeakPolarHBondContact O-CE 3.45Å; G417-K465 PolarHBondContact O-NZ 3.07Å
418E44.2Very low59Low153 Ų15385.9 Ų85.972%0.71544%0.438SS*.  trans-111.8131.6177.7-75-176.7171.600112.3K465E418-K465 HydrophobicContact CG-CD 4.1Å; E418-K465 VanDerWaalsContact CG-CE 3.45Å; E418-K465 IonicContact OE1-NZ 2.8Å
419S41.9Very low58.5Low86 Ų8688 Ų8860%0.60146%0.456SS*.  trans90157149.7-124.90000119.6
420P41.5Very low58.3Low104 Ų10494.2 Ų94.268%0.67548%0.482SS*.SBend-116.213.8-106.87.518.1000116.4
421T44.2Very low58.4Low112 Ų11297.7 Ų97.769%0.68750%0.501SS*.  trans-153.4116.3177.445.10000110.1M423T421-M423 PolarHBondContact O-N 3.06Å
422E49.2Very low58.6Low106 Ų106101.4 Ų101.450%0.49553%0.526SS..SBendtrans-54.37.3-165.2-61.9162.6-176.100118.6F358 T362F358-E422 HydrophobicContact CD2-CG 3.99Å; F358-E422 HydrophobicContact CE2-CB 4.34Å; F358-E422 HydrophobicContact CE2-CG 3.57Å; F358-E422 WeakPolarHBondContact CE2-OE1 3.36Å; F358-E422 WeakPolarHBondContact CE2-OE2 3.36Å; F358-E422 HydrophobicContact CZ-CG 4.32Å; F358-E422 WeakPolarHBondContact CZ-OE1 3.44Å; F358-E422 WeakPolarHBondContact CZ-OE2 3.39Å; T362-E422 HydrophobicContact CG2-CG 3.83Å; T362-E422 WeakPolarHBondContact CG2-OE1 3.32Å
423M44.4Very low58.9Low184 Ų184105.5 Ų105.591%0.90655%0.547SS*.SBendtrans-89.7115.5167-78.5-137.7-72.600111T421T421-M423 PolarHBondContact O-N 3.06Å
424G50.1Low59.8Low50 Ų50104.4 Ų104.452%0.51555%0.547SS..SBendtrans104.312171.100000116.2F426G424-F426 WeakPolarHBondContact O-CD2 3.35Å; G424-F426 PolarHBondContact O-N 3.37Å
425M54.7Low61.2Low87 Ų87106 Ų10643%0.42956%0.562SS.*  trans-76.6101.1170.4-63.6-173.984.200109.9V357V357-M425 HydrophobicContact CG1-CE 3.73Å
426F59.8Low62.8Low193 Ų193104.2 Ų104.285%0.84657%0.566SS**  trans-110134.3174.4-58-81.5000109.6G424G424-F426 WeakPolarHBondContact O-CD2 3.35Å; G424-F426 PolarHBondContact O-N 3.37Å
427R69.6Low64.8Low129 Ų129104.5 Ų104.549%0.48757%0.57SS.*  trans-119.1141.9163.268.4-179.8175.987.72.5109.1D354 C429D354-R427 VanDerWaalsContact CG-NH2 3.34Å; D354-R427 IonicContact OD1-CZ 2.7Å; D354-R427 IonicContact OD1-NE 3.23Å; D354-R427 PolarHBondContact OD1-NE 2.92Å; D354-R427 IonicContact OD1-NH2 3.51Å; D354-R427 PolarHBondContact OD1-NH2 3.01Å; D354-R427 VanDerWaalsContact OD1-NH2 3.13Å; D354-R427 IonicContact OD2-CZ 3.14Å; D354-R427 IonicContact OD2-NE 2.77Å; D354-R427 IonicContact OD2-NH2 3.49Å; D354-R427 PolarHBondContact OD2-NH2 3Å; R427-C429 VanDerWaalsContact NH1-CB 3.28Å; R427-C429 PolarHBondContact O-N 2.98Å
428Q66.4Low67.2Low204 Ų204107 Ų10795%0.95357%0.573SS**  trans-72129.5167.2-69.4-173.5-14.300108.4
429C71.2Confident69.7Low81 Ų81100 Ų10055%0.54754%0.54SS..  trans-139.1159.7174.765.80000109.1R427R427-C429 VanDerWaalsContact NH1-CB 3.28Å; R427-C429 PolarHBondContact O-N 2.98Å
430H75Confident72.2Confident155 Ų15597.8 Ų97.872%0.71852%0.521SS*.  trans-139.4157.5174.965.482.4000109.3C432H430-C432 PolarHBondContact CE1-SG 3.38Å; H430-C432 PolarHBondContact ND1-SG 3.45Å; H430-C432 VanDerWaalsContact ND1-SG 3.38Å
431F81.9Confident74.6Confident184 Ų18496.8 Ų96.881%0.80751%0.512SS*.  trans-96.4147.4171.4-74.5-95.7000109.7
432C85.1Confident77Confident81 Ų8192 Ų9255%0.54748%0.482SS..  trans-120.3160171.5-68.20000109.4H430 S436H430-C432 PolarHBondContact CE1-SG 3.38Å; H430-C432 PolarHBondContact ND1-SG 3.45Å; H430-C432 VanDerWaalsContact ND1-SG 3.38Å; C432-S436 WeakPolarHBondContact CB-OG 3.39Å
433I86.3Confident79.1Confident86 Ų8687.6 Ų87.644%0.44146%0.462SS..  trans-63.1137.3169.6-165.8167.7000109.3S306 A435 S436S306-I433 WeakPolarHBondContact OG-CD1 2.88Å; I433-A435 PolarHBondContact O-N 3.33Å; I433-A435 VanDerWaalsContact O-N 3.08Å; I433-S436 PolarHBondContact O-N 2.9Å; I433-S436 PolarHBondContact O-OG 3.41Å
434A89.1Confident81.4Confident20 Ų2080.9 Ų80.917%0.16543%0.433CS..G310 helixtrans-55.7-34-174.400000113.4I339 V343 S436 S437I339-A434 HydrophobicContact CG2-CB 3.68Å; V343-A434 HydrophobicContact CG2-CB 3.61Å; A434-S436 PolarHBondContact O-N 3.32Å; A434-S437 VanDerWaalsContact O-CB 3.24Å; A434-S437 WeakPolarHBondContact O-CB 3.33Å; A434-S437 PolarHBondContact O-N 2.91Å; A434-S437 VanDerWaalsContact O-N 3.09Å
435A85.3Confident83.4Confident47 Ų4779.5 Ų79.539%0.38841%0.414SS..G310 helixtrans-65.2-18.3177.700000114.1I433I433-A435 PolarHBondContact O-N 3.33Å; I433-A435 VanDerWaalsContact O-N 3.08Å
436S86.4Confident85.3Confident71 Ų7175.4 Ų75.450%0.49739%0.393SS..G310 helixtrans-96.25.9175.576.40000113.1C432 I433 A434C432-S436 WeakPolarHBondContact CB-OG 3.39Å; I433-S436 PolarHBondContact O-N 2.9Å; I433-S436 PolarHBondContact O-OG 3.41Å; A434-S436 PolarHBondContact O-N 3.32Å
437S92Very high86.9Confident28 Ų2868.5 Ų68.520%0.19637%0.367CS..SBendtrans-71.4141.3176-177.30000110.8A434 L439 M440 V441A434-S437 VanDerWaalsContact O-CB 3.24Å; A434-S437 WeakPolarHBondContact O-CB 3.33Å; A434-S437 PolarHBondContact O-N 2.91Å; A434-S437 VanDerWaalsContact O-N 3.09Å; S437-L439 PolarHBondContact O-N 3.13Å; S437-L439 WeakPolarHBondContact OG-CB 3.48Å; S437-L439 PolarHBondContact OG-N 3.16Å; S437-M440 VanDerWaalsContact O-CB 3.32Å; S437-M440 WeakPolarHBondContact O-CB 3.21Å; S437-M440 PolarHBondContact O-N 3.42Å; S437-V441 PolarHBondContact O-N 2.97Å
438E93.8Very high88.1Confident87 Ų8764.5 Ų64.541%0.40736%0.359SS..Hα-helixtrans-57.3-30.7170.1-169.1-174.116600111.7M440 V441 I442E438-M440 VanDerWaalsContact C-N 3.26Å; E438-M440 PolarHBondContact O-N 2.95Å; E438-V441 WeakPolarHBondContact O-CA 3.36Å; E438-V441 WeakPolarHBondContact O-CB 3.45Å; E438-V441 PolarHBondContact O-N 2.96Å; E438-I442 HydrophobicContact CG-CD1 4.08Å; E438-I442 HydrophobicContact CG-CG1 4.45Å; E438-I442 WeakPolarHBondContact O-CG1 3.5Å; E438-I442 PolarHBondContact O-N 3.02Å
439L95.7Very high89.3Confident5 Ų558.9 Ų58.93%0.02634%0.335CS..Hα-helixtrans-59.5-37.1173.4-66.5170.6000112.2V342 A345 A346 I349 S437 L443 L456 I459 V481 L485V342-L439 HydrophobicContact CG1-CB 4.05Å; A345-L439 HydrophobicContact CB-CD1 3.76Å; A346-L439 HydrophobicContact CB-CD1 3.85Å; I349-L439 HydrophobicContact CD1-CD1 4.2Å; I349-L439 HydrophobicContact CD1-CD2 4.07Å; S437-L439 PolarHBondContact O-N 3.13Å; S437-L439 WeakPolarHBondContact OG-CB 3.48Å; S437-L439 PolarHBondContact OG-N 3.16Å; L439-L443 VanDerWaalsContact O-CB 3.25Å; L439-L443 WeakPolarHBondContact O-CB 3.18Å; L439-L443 PolarHBondContact O-N 3.1Å; L439-L456 HydrophobicContact CD2-CD2 3.39Å; L439-I459 HydrophobicContact CD2-CD1 3.75Å; L439-V481 HydrophobicContact CD2-CG1 4.02Å; L439-L485 HydrophobicContact CD2-CD1 4.41Å
440M93.7Very high90.4Very high40 Ų4058.6 Ų58.620%0.19734%0.339CS..Hα-helixtrans-67.9-39.4175-175.659.773.900111I339 V342 S437 E438 L443 S444I339-M440 HydrophobicContact CG1-CE 3.89Å; V342-M440 HydrophobicContact CB-CE 4.33Å; V342-M440 HydrophobicContact CG1-CE 4.46Å; V342-M440 HydrophobicContact CG2-CE 3.86Å; S437-M440 VanDerWaalsContact O-CB 3.32Å; S437-M440 WeakPolarHBondContact O-CB 3.21Å; S437-M440 PolarHBondContact O-N 3.42Å; E438-M440 VanDerWaalsContact C-N 3.26Å; E438-M440 PolarHBondContact O-N 2.95Å; M440-L443 PolarHBondContact O-N 2.95Å; M440-L443 HydrophobicContact SD-CD2 4.38Å; M440-S444 WeakPolarHBondContact O-CB 3.3Å; M440-S444 PolarHBondContact O-N 3.23Å; M440-S444 PolarHBondContact O-OG 3.3Å
441V92.6Very high91.4Very high82 Ų8252.7 Ų52.750%0.49731%0.312SS..Hα-helixtrans-62.5-50.5175.1179.50000109.9S437 E438 L443 S444 M445S437-V441 PolarHBondContact O-N 2.97Å; E438-V441 WeakPolarHBondContact O-CA 3.36Å; E438-V441 WeakPolarHBondContact O-CB 3.45Å; E438-V441 PolarHBondContact O-N 2.96Å; V441-L443 VanDerWaalsContact C-N 3.32Å; V441-L443 PolarHBondContact O-N 2.86Å; V441-S444 PolarHBondContact O-N 3.14Å; V441-S444 VanDerWaalsContact O-N 3.12Å; V441-S444 PolarHBondContact O-OG 2.58Å; V441-M445 HydrophobicContact CG1-CG 4.13Å; V441-M445 VanDerWaalsContact O-CB 3.27Å; V441-M445 WeakPolarHBondContact O-CB 3.47Å; V441-M445 WeakPolarHBondContact O-CG 3.41Å; V441-M445 PolarHBondContact O-N 2.95Å
442I95Very high92Very high11 Ų1144 Ų446%0.05627%0.274CS..Hα-helixtrans-58-44.7177.5-72167.8000110.9E438 S444 M445 A446 L452 R455 L456 I459E438-I442 HydrophobicContact CG-CD1 4.08Å; E438-I442 HydrophobicContact CG-CG1 4.45Å; E438-I442 WeakPolarHBondContact O-CG1 3.5Å; E438-I442 PolarHBondContact O-N 3.02Å; I442-S444 VanDerWaalsContact C-N 3.32Å; I442-S444 PolarHBondContact O-N 2.87Å; I442-M445 PolarHBondContact O-N 3.43Å; I442-A446 WeakPolarHBondContact O-CB 3.21Å; I442-A446 PolarHBondContact O-N 2.95Å; I442-L452 HydrophobicContact CG2-CD1 3.7Å; I442-R455 HydrophobicContact CD1-CB 4.35Å; I442-R455 HydrophobicContact CG1-CB 4.18Å; I442-R455 HydrophobicContact CG2-CB 3.69Å; I442-L456 HydrophobicContact CD1-CD2 4.47Å; I442-L456 HydrophobicContact CG2-CD2 4.02Å; I442-L456 HydrophobicContact CG2-CG 4.21Å; I442-I459 HydrophobicContact CD1-CD1 3.51Å; I442-I459 HydrophobicContact CD1-CG1 3.49Å; I442-I459 VanDerWaalsContact CD1-CG1 3.49Å
443L93.8Very high92.5Very high14 Ų1445.5 Ų45.57%0.07327%0.269CS..Hα-helixtrans-59.7-42.1176.4-170.567.1000112.2V342 L439 M440 V441 M445 L452 A488 I489V342-L443 HydrophobicContact CG2-CD2 4.02Å; L439-L443 VanDerWaalsContact O-CB 3.25Å; L439-L443 WeakPolarHBondContact O-CB 3.18Å; L439-L443 PolarHBondContact O-N 3.1Å; M440-L443 PolarHBondContact O-N 2.95Å; M440-L443 HydrophobicContact SD-CD2 4.38Å; V441-L443 VanDerWaalsContact C-N 3.32Å; V441-L443 PolarHBondContact O-N 2.86Å; L443-M445 VanDerWaalsContact C-N 3.31Å; L443-M445 PolarHBondContact O-N 3.17Å; L443-L452 HydrophobicContact CD1-CD1 4.34Å; L443-A488 HydrophobicContact CD1-CB 4.29Å; L443-A488 HydrophobicContact CD2-CB 4.08Å; L443-I489 VanDerWaalsContact CD1-CA 3.5Å; L443-I489 HydrophobicContact CD1-CB 3.75Å; L443-I489 HydrophobicContact CD1-CG1 4.34Å
444S91.7Very high92.9Very high44 Ų4445.5 Ų45.531%0.30828%0.276SS..Hα-helixtrans-73.5-21.6-179.872.70000114.1M440 V441 I442 V500M440-S444 WeakPolarHBondContact O-CB 3.3Å; M440-S444 PolarHBondContact O-N 3.23Å; M440-S444 PolarHBondContact O-OG 3.3Å; V441-S444 PolarHBondContact O-N 3.14Å; V441-S444 VanDerWaalsContact O-N 3.12Å; V441-S444 PolarHBondContact O-OG 2.58Å; I442-S444 VanDerWaalsContact C-N 3.32Å; I442-S444 PolarHBondContact O-N 2.87Å; S444-V500 WeakPolarHBondContact O-CG2 2.99Å; S444-V500 PolarHBondContact O-N 3.18Å
445M93.1Very high93.2Very high21 Ų2148.6 Ų48.610%0.10328%0.283CS..Hα-helixtrans-107-16.9-171.6-68.4-63.8-64.700113.8V441 I442 L443 V500 I534 K535 A538V441-M445 HydrophobicContact CG1-CG 4.13Å; V441-M445 VanDerWaalsContact O-CB 3.27Å; V441-M445 WeakPolarHBondContact O-CB 3.47Å; V441-M445 WeakPolarHBondContact O-CG 3.41Å; V441-M445 PolarHBondContact O-N 2.95Å; I442-M445 PolarHBondContact O-N 3.43Å; L443-M445 VanDerWaalsContact C-N 3.31Å; L443-M445 PolarHBondContact O-N 3.17Å; M445-V500 HydrophobicContact SD-CG2 4.36Å; M445-I534 HydrophobicContact CE-CG2 3.76Å; M445-K535 HydrophobicContact SD-CB 4.32Å; M445-K535 HydrophobicContact SD-CG 4.42Å; M445-A538 HydrophobicContact CE-CB 3.22Å
446A94.5Very high93.8Very high0 Ų046.4 Ų46.40%027%0.265CS..  trans-63.3140.4179.100000111.5I442 D451 L452 I489 L501I442-A446 WeakPolarHBondContact O-CB 3.21Å; I442-A446 PolarHBondContact O-N 2.95Å; A446-D451 WeakPolarHBondContact CA-OD2 3.49Å; A446-L452 HydrophobicContact CB-CB 3.86Å; A446-L452 HydrophobicContact CB-CD1 3.92Å; A446-I489 HydrophobicContact CB-CD1 3.9Å; A446-L501 WeakPolarHBondContact O-CG 3.29Å
447T93.8Very high94.2Very high48 Ų4843.1 Ų43.129%0.29424%0.243SC..SBendtrans-101.3-12.2179.455.80000113.2D451 V500 L501T447-D451 PolarHBondContact N-OD2 3.41Å; T447-D451 WeakPolarHBondContact OG1-CB 3.34Å; T447-D451 PolarHBondContact OG1-OD2 3.04Å; T447-V500 HydrophobicContact CG2-CG1 4.03Å; T447-L501 VanDerWaalsContact O-CD2 3.28Å; T447-L501 WeakPolarHBondContact O-CD2 3.25Å
448S93.6Very high94.2Very high45 Ų4545 Ų4532%0.31526%0.259SS..SBendtrans-165.2171.5177.165.10000110.4A450 D451 L452S448-A450 VanDerWaalsContact C-N 3.25Å; S448-A450 PolarHBondContact O-N 3.37Å; S448-A450 PolarHBondContact OG-N 3.43Å; S448-D451 PolarHBondContact O-N 3.27Å; S448-D451 WeakPolarHBondContact OG-CB 3.39Å; S448-D451 PolarHBondContact OG-N 3.44Å; S448-L452 WeakPolarHBondContact O-CB 3.43Å; S448-L452 PolarHBondContact O-N 2.72Å
449L92.9Very high94.2Very high86 Ų8641.3 Ų41.345%0.4524%0.243SC..Hα-helixtrans-61.6-33.1170.9-79168.3000112.8L250 L452 R453 I489L250-L449 HydrophobicContact CD1-CG 4.25Å; L449-L452 HydrophobicContact CD2-CD2 4.44Å; L449-R453 WeakPolarHBondContact O-CB 3.32Å; L449-R453 PolarHBondContact O-N 3.29Å; L449-I489 HydrophobicContact CD2-CG2 3.74Å; L449-I489 HydrophobicContact CG-CG2 4.49Å
450A93.8Very high93.9Very high76 Ų7644.2 Ų44.263%0.62826%0.26SS*.Hα-helixtrans-70.3-44.7177.500000111.3S448 R453 S454S448-A450 VanDerWaalsContact C-N 3.25Å; S448-A450 PolarHBondContact O-N 3.37Å; S448-A450 PolarHBondContact OG-N 3.43Å; A450-R453 PolarHBondContact O-N 3.17Å; A450-S454 PolarHBondContact O-N 3.01Å
451D95Very high93.7Very high31 Ų3144 Ų4417%0.16626%0.262CS..Hα-helixtrans-62.8-44.1174.6-17931.9000111.2A446 T447 S448 R453 S454 R455A446-D451 WeakPolarHBondContact CA-OD2 3.49Å; T447-D451 PolarHBondContact N-OD2 3.41Å; T447-D451 WeakPolarHBondContact OG1-CB 3.34Å; T447-D451 PolarHBondContact OG1-OD2 3.04Å; S448-D451 PolarHBondContact O-N 3.27Å; S448-D451 WeakPolarHBondContact OG-CB 3.39Å; S448-D451 PolarHBondContact OG-N 3.44Å; D451-R453 PolarHBondContact O-N 2.91Å; D451-S454 PolarHBondContact O-N 3.39Å; D451-R455 VanDerWaalsContact CG-NE 3.31Å; D451-R455 WeakPolarHBondContact O-CG 3.5Å; D451-R455 PolarHBondContact O-N 2.85Å; D451-R455 IonicContact OD1-CZ 2.72Å; D451-R455 IonicContact OD1-NE 2.75Å; D451-R455 PolarHBondContact OD1-NE 3.48Å; D451-R455 IonicContact OD1-NH2 3.33Å; D451-R455 IonicContact OD2-CZ 3.08Å; D451-R455 IonicContact OD2-NE 3.25Å; D451-R455 PolarHBondContact OD2-NE 3.21Å; D451-R455 VanDerWaalsContact OD2-NE 3.15Å; D451-R455 IonicContact OD2-NH2 2.68Å
452L95.2Very high93.4Very high1 Ų141.3 Ų41.31%0.00525%0.248CC..Hα-helixtrans-52.9-54.3172.7-178.476.3000110.6I442 L443 A446 S448 L449 S454 R455 L456 L485 I489I442-L452 HydrophobicContact CG2-CD1 3.7Å; L443-L452 HydrophobicContact CD1-CD1 4.34Å; A446-L452 HydrophobicContact CB-CB 3.86Å; A446-L452 HydrophobicContact CB-CD1 3.92Å; S448-L452 WeakPolarHBondContact O-CB 3.43Å; S448-L452 PolarHBondContact O-N 2.72Å; L449-L452 HydrophobicContact CD2-CD2 4.44Å; L452-S454 VanDerWaalsContact C-N 3.31Å; L452-S454 PolarHBondContact O-N 3.48Å; L452-R455 PolarHBondContact O-N 3.43Å; L452-L456 HydrophobicContact CD1-CD1 4.37Å; L452-L456 HydrophobicContact CD1-CG 4.44Å; L452-L456 HydrophobicContact CD2-CD1 4.22Å; L452-L456 HydrophobicContact CG-CD1 3.84Å; L452-L456 HydrophobicContact CG-CG 4.25Å; L452-L456 WeakPolarHBondContact O-CB 3.43Å; L452-L456 WeakPolarHBondContact O-CG 3.38Å; L452-L456 PolarHBondContact O-N 3.42Å; L452-L485 HydrophobicContact CD2-CB 4.17Å; L452-I489 HydrophobicContact CB-CD1 3.72Å; L452-I489 HydrophobicContact CD1-CD1 4.16Å; L452-I489 HydrophobicContact CD2-CB 4.37Å; L452-I489 HydrophobicContact CD2-CD1 3.81Å; L452-I489 HydrophobicContact CG-CD1 4.08Å
453R95.6Very high92.8Very high113 Ų11346.3 Ų46.343%0.42627%0.269SS..Hα-helixtrans-59.6-41.5-179.3-176.1178.1173.7174.5-3.4112.1S384 L449 A450 D451 L456 G457 T478S384-R453 PolarHBondContact OG-NH2 3.44Å; L449-R453 WeakPolarHBondContact O-CB 3.32Å; L449-R453 PolarHBondContact O-N 3.29Å; A450-R453 PolarHBondContact O-N 3.17Å; D451-R453 PolarHBondContact O-N 2.91Å; R453-L456 PolarHBondContact O-N 3.4Å; R453-G457 PolarHBondContact O-N 3.29Å; R453-T478 HydrophobicContact CG-CG2 4.09Å; R453-T478 WeakPolarHBondContact O-CG2 3.48Å
454S95Very high92.2Very high85 Ų8547.1 Ų47.159%0.59427%0.274SS*.Hα-helixtrans-62.9-45.2177.8-170.30000111.9A450 D451 L452 G457 A458A450-S454 PolarHBondContact O-N 3.01Å; D451-S454 PolarHBondContact O-N 3.39Å; L452-S454 VanDerWaalsContact C-N 3.31Å; L452-S454 PolarHBondContact O-N 3.48Å; S454-G457 PolarHBondContact O-N 3.13Å; S454-A458 PolarHBondContact O-N 3.17Å
455R95.1Very high91.4Very high85 Ų8549.8 Ų49.832%0.32128%0.28SS..Hα-helixtrans-65.6-43.5177.4-69.8171.6-177.3-86.3-0.2111.5I442 D451 L452 G457 A458 I459I442-R455 HydrophobicContact CD1-CB 4.35Å; I442-R455 HydrophobicContact CG1-CB 4.18Å; I442-R455 HydrophobicContact CG2-CB 3.69Å; D451-R455 VanDerWaalsContact CG-NE 3.31Å; D451-R455 WeakPolarHBondContact O-CG 3.5Å; D451-R455 PolarHBondContact O-N 2.85Å; D451-R455 IonicContact OD1-CZ 2.72Å; D451-R455 IonicContact OD1-NE 2.75Å; D451-R455 PolarHBondContact OD1-NE 3.48Å; D451-R455 IonicContact OD1-NH2 3.33Å; D451-R455 IonicContact OD2-CZ 3.08Å; D451-R455 IonicContact OD2-NE 3.25Å; D451-R455 PolarHBondContact OD2-NE 3.21Å; D451-R455 VanDerWaalsContact OD2-NE 3.15Å; D451-R455 IonicContact OD2-NH2 2.68Å; L452-R455 PolarHBondContact O-N 3.43Å; R455-G457 VanDerWaalsContact C-N 3.28Å; R455-G457 PolarHBondContact O-N 3.45Å; R455-A458 PolarHBondContact O-N 2.91Å; R455-A458 VanDerWaalsContact O-N 3.15Å; R455-I459 PolarHBondContact O-N 2.99Å
456L96.8Very high90.7Very high1 Ų157.2 Ų57.21%0.00531%0.312CS..Hα-helixtrans-57.6-42.1176.7-72.4174.1000111.4L439 I442 L452 R453 A458 I459 T472 T478 V481 A482 L485L439-L456 HydrophobicContact CD2-CD2 3.39Å; I442-L456 HydrophobicContact CD1-CD2 4.47Å; I442-L456 HydrophobicContact CG2-CD2 4.02Å; I442-L456 HydrophobicContact CG2-CG 4.21Å; L452-L456 HydrophobicContact CD1-CD1 4.37Å; L452-L456 HydrophobicContact CD1-CG 4.44Å; L452-L456 HydrophobicContact CD2-CD1 4.22Å; L452-L456 HydrophobicContact CG-CD1 3.84Å; L452-L456 HydrophobicContact CG-CG 4.25Å; L452-L456 WeakPolarHBondContact O-CB 3.43Å; L452-L456 WeakPolarHBondContact O-CG 3.38Å; L452-L456 PolarHBondContact O-N 3.42Å; R453-L456 PolarHBondContact O-N 3.4Å; L456-A458 VanDerWaalsContact C-N 3.28Å; L456-A458 PolarHBondContact O-N 3.31Å; L456-I459 HydrophobicContact CD2-CD1 4.06Å; L456-I459 WeakPolarHBondContact O-CD1 3.4Å; L456-I459 WeakPolarHBondContact O-CG1 3.28Å; L456-I459 PolarHBondContact O-N 3.03Å; L456-T472 WeakPolarHBondContact O-CB 3.43Å; L456-T472 PolarHBondContact O-OG1 3.08Å; L456-T478 HydrophobicContact CB-CG2 4.08Å; L456-V481 HydrophobicContact CD1-CG1 3.97Å; L456-V481 HydrophobicContact CD2-CG1 3.79Å; L456-V481 HydrophobicContact CG-CG1 4.39Å; L456-A482 HydrophobicContact CD1-CB 3.97Å; L456-L485 HydrophobicContact CD1-CD1 4.2Å; L456-L485 HydrophobicContact CD2-CD1 4Å
457G94.6Very high89.8Confident3 Ų359.5 Ų59.53%0.03134%0.335CS..Hα-helixtrans-68.2-22.817900000115R453 S454 R455 T471 T472 D473 T478R453-G457 PolarHBondContact O-N 3.29Å; S454-G457 PolarHBondContact O-N 3.13Å; R455-G457 VanDerWaalsContact C-N 3.28Å; R455-G457 PolarHBondContact O-N 3.45Å; G457-T471 VanDerWaalsContact O-CB 3.3Å; G457-T471 WeakPolarHBondContact O-CB 2.88Å; G457-T471 PolarHBondContact O-OG1 3.3Å; G457-T472 VanDerWaalsContact C-OG1 3.29Å; G457-T472 WeakPolarHBondContact CA-OG1 3.37Å; G457-T472 PolarHBondContact O-OG1 2.78Å; G457-D473 VanDerWaalsContact CA-CG 3.49Å; G457-D473 WeakPolarHBondContact CA-OD1 3.26Å; G457-D473 PolarHBondContact O-N 3.36Å; G457-T478 WeakPolarHBondContact CA-OG1 3.34Å
458A92.9Very high89.2Confident66 Ų6659.2 Ų59.255%0.54534%0.338SS..Hα-helixtrans-87.8-10.1-178.800000114S454 R455 L456 V460S454-A458 PolarHBondContact O-N 3.17Å; R455-A458 PolarHBondContact O-N 2.91Å; R455-A458 VanDerWaalsContact O-N 3.15Å; L456-A458 VanDerWaalsContact C-N 3.28Å; L456-A458 PolarHBondContact O-N 3.31Å; A458-V460 PolarHBondContact O-N 3.5Å
459I93.3Very high88.7Confident10 Ų1058.5 Ų58.55%0.05133%0.332CS..  trans-57.9121.3179.2-62.3171.6000109.3L439 I442 R455 L456 V461 T471 T472L439-I459 HydrophobicContact CD2-CD1 3.75Å; I442-I459 HydrophobicContact CD1-CD1 3.51Å; I442-I459 HydrophobicContact CD1-CG1 3.49Å; I442-I459 VanDerWaalsContact CD1-CG1 3.49Å; R455-I459 PolarHBondContact O-N 2.99Å; L456-I459 HydrophobicContact CD2-CD1 4.06Å; L456-I459 WeakPolarHBondContact O-CD1 3.4Å; L456-I459 WeakPolarHBondContact O-CG1 3.28Å; L456-I459 PolarHBondContact O-N 3.03Å; I459-V461 HydrophobicContact CG2-CG1 3.77Å; I459-T471 CarbonylContact O-C 3.57Å; I459-T471 WeakPolarHBondContact O-CA 3.48Å; I459-T471 VanDerWaalsContact O-CB 3.27Å; I459-T471 WeakPolarHBondContact O-CB 3.5Å; I459-T472 HydrophobicContact CB-CG2 3.9Å; I459-T472 HydrophobicContact CD1-CG2 4.38Å; I459-T472 HydrophobicContact CG2-CG2 4.28Å; I459-T472 PolarHBondContact O-N 3.41Å; I459-T472 VanDerWaalsContact O-N 3.14Å
460V90.2Very high88.5Confident66 Ų6654.5 Ų54.540%0.431%0.311SS..EExtended strand (participates in β ladder)trans-83.1116.8172.9-178.90000108.7A458 F463 P469 T471A458-V460 PolarHBondContact O-N 3.5Å; V460-F463 HydrophobicContact CG1-CE2 4.48Å; V460-F463 HydrophobicContact CG1-CZ 4.26Å; V460-P469 HydrophobicContact CG1-CB 3.77Å; V460-P469 HydrophobicContact CG2-CB 4.06Å; V460-T471 HydrophobicContact CG2-CG2 4.31Å
461V89.9Confident88.4Confident37 Ų3751.7 Ų51.722%0.22429%0.286CS..EExtended strand (participates in β ladder)trans-107.9-20.8-174.2-63.90000113.3I349 I353 I459 V470 T472 L475I349-V461 HydrophobicContact CG2-CG1 3.77Å; I353-V461 HydrophobicContact CD1-CB 4Å; I353-V461 HydrophobicContact CD1-CG2 4.4Å; I353-V461 HydrophobicContact CG1-CB 4.49Å; I353-V461 HydrophobicContact CG1-CG2 4.36Å; I459-V461 HydrophobicContact CG2-CG1 3.77Å; V461-V470 HydrophobicContact CG2-CG1 4.42Å; V461-V470 WeakPolarHBondContact CG2-O 3.5Å; V461-V470 PolarHBondContact N-O 2.9Å; V461-T472 HydrophobicContact CG1-CG2 3.82Å; V461-L475 HydrophobicContact CG2-CD1 3.7Å; V461-L475 HydrophobicContact CG2-CG 4.26Å
462A85.2Confident88.3Confident25 Ų2550.3 Ų50.321%0.20728%0.279CS..EExtended strand (participates in β ladder)trans-158.8174.4177.500000110.6V470A462-V470 HydrophobicContact CB-CB 4.22Å; A462-V470 PolarHBondContact N-O 3.06Å; A462-V470 PolarHBondContact O-N 3.28Å
463F82.5Confident88.1Confident115 Ų11552.2 Ų52.250%0.50429%0.289SS..EExtended strand (participates in β ladder)trans-117.8142.4163.8-65.9-90.4000108.6V460 G467 A468 P469V460-F463 HydrophobicContact CG1-CE2 4.48Å; V460-F463 HydrophobicContact CG1-CZ 4.26Å; F463-G467 WeakPolarHBondContact CD1-O 3.14Å; F463-A468 CarbonylContact C-O 3.37Å; F463-A468 VanDerWaalsContact CA-O 3.31Å; F463-A468 WeakPolarHBondContact CA-O 3.32Å; F463-P469 HydrophobicContact CD1-CB 4.28Å; F463-P469 HydrophobicContact CE1-CB 4.06Å
464D80.9Confident87.8Confident32 Ų3247.5 Ų47.517%0.17127%0.272CS..  trans-70.8175.3171.374.98.9000111.4D414 K466 G467 A468 V470D414-D464 WeakPolarHBondContact O-CB 3.3Å; D464-K466 PolarHBondContact O-N 2.76Å; D464-K466 VanDerWaalsContact O-N 3.11Å; D464-K466 VanDerWaalsContact OD1-C 3.25Å; D464-K466 VanDerWaalsContact OD1-CA 3.24Å; D464-K466 WeakPolarHBondContact OD1-CA 3.41Å; D464-K466 WeakPolarHBondContact OD1-CB 3.35Å; D464-K466 PolarHBondContact OD1-N 3.41Å; D464-G467 PolarHBondContact O-N 2.95Å; D464-G467 PolarHBondContact OD1-N 3.5Å; D464-A468 PolarHBondContact N-O 2.91Å; D464-A468 PolarHBondContact OD1-N 3.3Å; D464-V470 HydrophobicContact CB-CG2 4.27Å
465K75.8Confident87.5Confident100 Ų10044.6 Ų44.644%0.43525%0.25SC..THydrogen-bonded Turntrans-63.4-15.1177.3-70.6174.4-160178.90114.6Y415 G417 E418Y415-K465 WeakPolarHBondContact O-CE 3.45Å; Y415-K465 VanDerWaalsContact O-CG 3.28Å; Y415-K465 WeakPolarHBondContact O-CG 3.24Å; G417-K465 VanDerWaalsContact C-CE 3.47Å; G417-K465 WeakPolarHBondContact O-CE 3.45Å; G417-K465 PolarHBondContact O-NZ 3.07Å; E418-K465 HydrophobicContact CG-CD 4.1Å; E418-K465 VanDerWaalsContact CG-CE 3.45Å; E418-K465 IonicContact OE1-NZ 2.8Å
466K78.4Confident87.2Confident177 Ų17742.8 Ų42.877%0.7726%0.258SS*.THydrogen-bonded Turntrans-94.8-1.5176.5-60.6-180-178.8176.80111.8D464D464-K466 PolarHBondContact O-N 2.76Å; D464-K466 VanDerWaalsContact O-N 3.11Å; D464-K466 VanDerWaalsContact OD1-C 3.25Å; D464-K466 VanDerWaalsContact OD1-CA 3.24Å; D464-K466 WeakPolarHBondContact OD1-CA 3.41Å; D464-K466 WeakPolarHBondContact OD1-CB 3.35Å; D464-K466 PolarHBondContact OD1-N 3.41Å
467G75.2Confident87Confident48 Ų4843.7 Ų43.750%0.49526%0.263SS..SBendtrans8211.4-177.900000114.1F463 D464F463-G467 WeakPolarHBondContact CD1-O 3.14Å; D464-G467 PolarHBondContact O-N 2.95Å; D464-G467 PolarHBondContact OD1-N 3.5Å
468A80.4Confident87.1Confident42 Ų4243.6 Ų43.635%0.34726%0.262SS..PPolyproline II helixtrans-79.5139.8174.200000110.5F463 D464F463-A468 CarbonylContact C-O 3.37Å; F463-A468 VanDerWaalsContact CA-O 3.31Å; F463-A468 WeakPolarHBondContact CA-O 3.32Å; D464-A468 PolarHBondContact N-O 2.91Å; D464-A468 PolarHBondContact OD1-N 3.3Å
469P83.9Confident87.1Confident29 Ų2941.8 Ų41.819%0.18825%0.25CC..EExtended strand (participates in β ladder)trans-69.1134.4-179.427.7-34.4000111.1K392 V460 F463 L706K392-P469 PolarHBondContact NZ-O 3.37Å; V460-P469 HydrophobicContact CG1-CB 3.77Å; V460-P469 HydrophobicContact CG2-CB 4.06Å; F463-P469 HydrophobicContact CD1-CB 4.28Å; F463-P469 HydrophobicContact CE1-CB 4.06Å; P469-L706 HydrophobicContact CG-CD2 4.03Å
470V88.5Confident87.2Confident2 Ų243 Ų431%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-102.7125.5171.9179.40000108.1D414 I416 V461 A462 D464 D474 L475D414-V470 HydrophobicContact CB-CG2 4.48Å; I416-V470 HydrophobicContact CD1-CB 4.43Å; I416-V470 HydrophobicContact CD1-CG1 3.91Å; I416-V470 HydrophobicContact CD1-CG2 3.95Å; I416-V470 HydrophobicContact CG1-CG2 4.41Å; V461-V470 HydrophobicContact CG2-CG1 4.42Å; V461-V470 WeakPolarHBondContact CG2-O 3.5Å; V461-V470 PolarHBondContact N-O 2.9Å; A462-V470 HydrophobicContact CB-CB 4.22Å; A462-V470 PolarHBondContact N-O 3.06Å; A462-V470 PolarHBondContact O-N 3.28Å; D464-V470 HydrophobicContact CB-CG2 4.27Å; V470-D474 HydrophobicContact CG1-CB 3.92Å; V470-L475 HydrophobicContact CG1-CD2 4.17Å; V470-L475 HydrophobicContact CG1-CG 4.4Å
471T92.2Very high87.5Confident18 Ų1839.9 Ų39.911%0.1125%0.245CC..EExtended strand (participates in β ladder)trans-104.9170.9-179.670.70000113.3G457 I459 V460 D473 D474 L475G457-T471 VanDerWaalsContact O-CB 3.3Å; G457-T471 WeakPolarHBondContact O-CB 2.88Å; G457-T471 PolarHBondContact O-OG1 3.3Å; I459-T471 CarbonylContact O-C 3.57Å; I459-T471 WeakPolarHBondContact O-CA 3.48Å; I459-T471 VanDerWaalsContact O-CB 3.27Å; I459-T471 WeakPolarHBondContact O-CB 3.5Å; V460-T471 HydrophobicContact CG2-CG2 4.31Å; T471-D473 PolarHBondContact O-N 3.42Å; T471-D473 PolarHBondContact OG1-N 2.92Å; T471-D474 PolarHBondContact N-OD2 3.24Å; T471-D474 WeakPolarHBondContact O-CB 3.37Å; T471-D474 PolarHBondContact O-N 3.03Å; T471-D474 VanDerWaalsContact O-N 3.11Å; T471-D474 PolarHBondContact OG1-N 3.34Å; T471-D474 PolarHBondContact OG1-OD2 2.96Å; T471-L475 PolarHBondContact O-N 3.25Å; T471-L475 VanDerWaalsContact O-N 3.08Å
472T93.2Very high87.8Confident2 Ų239 Ų391%0.01224%0.242CC..THydrogen-bonded Turntrans-58.8-31168.748.10000113.5I349 L456 G457 I459 V461 L475 G476 V477 T478I349-T472 HydrophobicContact CD1-CG2 3.93Å; I349-T472 HydrophobicContact CG1-CG2 4.26Å; L456-T472 WeakPolarHBondContact O-CB 3.43Å; L456-T472 PolarHBondContact O-OG1 3.08Å; G457-T472 VanDerWaalsContact C-OG1 3.29Å; G457-T472 WeakPolarHBondContact CA-OG1 3.37Å; G457-T472 PolarHBondContact O-OG1 2.78Å; I459-T472 HydrophobicContact CB-CG2 3.9Å; I459-T472 HydrophobicContact CD1-CG2 4.38Å; I459-T472 HydrophobicContact CG2-CG2 4.28Å; I459-T472 PolarHBondContact O-N 3.41Å; I459-T472 VanDerWaalsContact O-N 3.14Å; V461-T472 HydrophobicContact CG1-CG2 3.82Å; T472-L475 PolarHBondContact O-N 3.12Å; T472-G476 PolarHBondContact O-N 3.31Å; T472-G476 VanDerWaalsContact O-N 3.12Å; T472-V477 HydrophobicContact CG2-CG2 4.43Å; T472-V477 PolarHBondContact O-N 3.02Å; T472-V477 VanDerWaalsContact O-N 3.14Å; T472-T478 VanDerWaalsContact C-OG1 3.29Å; T472-T478 PolarHBondContact O-OG1 3.41Å; T472-T478 PolarHBondContact OG1-OG1 3.47Å
473D91.5Very high88.3Confident40 Ų4043 Ų4321%0.21426%0.264CS..THydrogen-bonded Turntrans-66.4-41.6171.1-88.5-6.4000111.1I385 G457 T471 L475 G476 T478I385-D473 HydrophobicContact CG2-CB 4.1Å; I385-D473 WeakPolarHBondContact CG2-O 3.37Å; G457-D473 VanDerWaalsContact CA-CG 3.49Å; G457-D473 WeakPolarHBondContact CA-OD1 3.26Å; G457-D473 PolarHBondContact O-N 3.36Å; T471-D473 PolarHBondContact O-N 3.42Å; T471-D473 PolarHBondContact OG1-N 2.92Å; D473-L475 VanDerWaalsContact C-N 3.26Å; D473-L475 PolarHBondContact O-N 3.42Å; D473-G476 PolarHBondContact O-N 3.07Å; D473-T478 WeakPolarHBondContact CA-OG1 3.2Å; D473-T478 PolarHBondContact N-OG1 3.39Å; D473-T478 WeakPolarHBondContact OD1-CB 3.46Å; D473-T478 WeakPolarHBondContact OD1-CG2 3.49Å; D473-T478 PolarHBondContact OD1-OG1 2.92Å
474D88.9Confident89Confident14 Ų1440.9 Ų40.98%0.07526%0.258CS..THydrogen-bonded Turntrans-61.3-36.7174.6-66.8-48.3000111.9R389 K392 V470 T471 G476R389-D474 IonicContact NH1-OD1 2.82Å; R389-D474 PolarHBondContact NH1-OD1 3.33Å; K392-D474 IonicContact NZ-OD1 3.64Å; K392-D474 IonicContact NZ-OD2 3.07Å; K392-D474 PolarHBondContact NZ-OD2 3.15Å; V470-D474 HydrophobicContact CG1-CB 3.92Å; T471-D474 PolarHBondContact N-OD2 3.24Å; T471-D474 WeakPolarHBondContact O-CB 3.37Å; T471-D474 PolarHBondContact O-N 3.03Å; T471-D474 VanDerWaalsContact O-N 3.11Å; T471-D474 PolarHBondContact OG1-N 3.34Å; T471-D474 PolarHBondContact OG1-OD2 2.96Å; D474-G476 VanDerWaalsContact C-N 3.26Å; D474-G476 PolarHBondContact O-N 3.25Å
475L88.7Confident89.8Confident24 Ų2439.4 Ų39.413%0.12625%0.249CC..THydrogen-bonded Turntrans-75.5-9.7174.2-63.6-172.9000114.1A352 I353 R356 V461 V470 T471 T472 D473 V477A352-L475 HydrophobicContact CB-CD1 4.42Å; I353-L475 HydrophobicContact CG1-CD1 3.59Å; R356-L475 HydrophobicContact CB-CD2 3.92Å; R356-L475 HydrophobicContact CG-CD2 3.76Å; V461-L475 HydrophobicContact CG2-CD1 3.7Å; V461-L475 HydrophobicContact CG2-CG 4.26Å; V470-L475 HydrophobicContact CG1-CD2 4.17Å; V470-L475 HydrophobicContact CG1-CG 4.4Å; T471-L475 PolarHBondContact O-N 3.25Å; T471-L475 VanDerWaalsContact O-N 3.08Å; T472-L475 PolarHBondContact O-N 3.12Å; D473-L475 VanDerWaalsContact C-N 3.26Å; D473-L475 PolarHBondContact O-N 3.42Å; L475-V477 VanDerWaalsContact C-N 3.25Å; L475-V477 HydrophobicContact CB-CG1 4.42Å; L475-V477 HydrophobicContact CB-CG2 4.03Å; L475-V477 PolarHBondContact O-N 3.12Å
476G88.1Confident90.7Very high47 Ų4739.6 Ų39.649%0.48525%0.25SS..THydrogen-bonded Turntrans69.417-179.100000114.9T472 D473 D474T472-G476 PolarHBondContact O-N 3.31Å; T472-G476 VanDerWaalsContact O-N 3.12Å; D473-G476 PolarHBondContact O-N 3.07Å; D474-G476 VanDerWaalsContact C-N 3.26Å; D474-G476 PolarHBondContact O-N 3.25Å
477V93.6Very high91.5Very high21 Ų2134.3 Ų34.313%0.12723%0.23CC..  trans-101-10.9-173.6-64.50000115.1I349 A352 T472 L475 G479 G480 V481I349-V477 HydrophobicContact CG1-CG2 4.38Å; A352-V477 HydrophobicContact CB-CB 4.42Å; A352-V477 HydrophobicContact CB-CG1 3.37Å; A352-V477 HydrophobicContact CB-CG2 4.43Å; T472-V477 HydrophobicContact CG2-CG2 4.43Å; T472-V477 PolarHBondContact O-N 3.02Å; T472-V477 VanDerWaalsContact O-N 3.14Å; L475-V477 VanDerWaalsContact C-N 3.25Å; L475-V477 HydrophobicContact CB-CG1 4.42Å; L475-V477 HydrophobicContact CB-CG2 4.03Å; L475-V477 PolarHBondContact O-N 3.12Å; V477-G479 PolarHBondContact O-N 3.42Å; V477-G479 VanDerWaalsContact O-N 3.11Å; V477-G480 PolarHBondContact O-N 2.99Å; V477-V481 HydrophobicContact CB-CG2 4.5Å; V477-V481 HydrophobicContact CG2-CG2 4.4Å; V477-V481 WeakPolarHBondContact O-CG2 3.34Å; V477-V481 PolarHBondContact O-N 2.95Å
478T94.9Very high92.4Very high1 Ų132.3 Ų32.31%0.00621%0.209CC..Hα-helixtrans-49.2-42.3-178.3-53.40000113.2R453 L456 G457 T472 D473 V481 A482R453-T478 HydrophobicContact CG-CG2 4.09Å; R453-T478 WeakPolarHBondContact O-CG2 3.48Å; L456-T478 HydrophobicContact CB-CG2 4.08Å; G457-T478 WeakPolarHBondContact CA-OG1 3.34Å; T472-T478 VanDerWaalsContact C-OG1 3.29Å; T472-T478 PolarHBondContact O-OG1 3.41Å; T472-T478 PolarHBondContact OG1-OG1 3.47Å; D473-T478 WeakPolarHBondContact CA-OG1 3.2Å; D473-T478 PolarHBondContact N-OG1 3.39Å; D473-T478 WeakPolarHBondContact OD1-CB 3.46Å; D473-T478 WeakPolarHBondContact OD1-CG2 3.49Å; D473-T478 PolarHBondContact OD1-OG1 2.92Å; T478-V481 PolarHBondContact O-N 2.76Å; T478-A482 VanDerWaalsContact O-CB 3.29Å; T478-A482 WeakPolarHBondContact O-CB 3.42Å; T478-A482 PolarHBondContact O-N 3.34Å
479G93.5Very high93Very high28 Ų2830.5 Ų30.529%0.28919%0.194SC..Hα-helixtrans-63.2-43.7177.500000113.2V477 A482 V483V477-G479 PolarHBondContact O-N 3.42Å; V477-G479 VanDerWaalsContact O-N 3.11Å; G479-A482 PolarHBondContact O-N 2.88Å; G479-V483 WeakPolarHBondContact O-CG2 3.37Å; G479-V483 PolarHBondContact O-N 3.33Å; G479-V483 VanDerWaalsContact O-N 3.07Å
480G95.3Very high93.6Very high34 Ų3431.8 Ų31.835%0.35120%0.195SC..Hα-helixtrans-66-42.5177.300000112.2V477 V483 L484V477-G480 PolarHBondContact O-N 2.99Å; G480-V483 PolarHBondContact O-N 3.2Å; G480-L484 WeakPolarHBondContact O-CG 3.43Å; G480-L484 PolarHBondContact O-N 3.4Å; G480-L484 VanDerWaalsContact O-N 3.12Å
481V97Very high93.8Very high1 Ų132 Ų321%0.00620%0.197CC..Hα-helixtrans-61.9-44.6175.5177.60000111.1A345 L348 I349 L439 L456 V477 T478 V483 L484 L485A345-V481 HydrophobicContact CB-CG1 3.98Å; L348-V481 HydrophobicContact CD2-CG2 4.06Å; I349-V481 HydrophobicContact CD1-CG1 4.47Å; I349-V481 HydrophobicContact CD1-CG2 4.05Å; I349-V481 HydrophobicContact CG1-CG2 3.68Å; L439-V481 HydrophobicContact CD2-CG1 4.02Å; L456-V481 HydrophobicContact CD1-CG1 3.97Å; L456-V481 HydrophobicContact CD2-CG1 3.79Å; L456-V481 HydrophobicContact CG-CG1 4.39Å; V477-V481 HydrophobicContact CB-CG2 4.5Å; V477-V481 HydrophobicContact CG2-CG2 4.4Å; V477-V481 WeakPolarHBondContact O-CG2 3.34Å; V477-V481 PolarHBondContact O-N 2.95Å; T478-V481 PolarHBondContact O-N 2.76Å; V481-V483 VanDerWaalsContact C-N 3.33Å; V481-V483 PolarHBondContact O-N 3.22Å; V481-L484 PolarHBondContact O-N 3.36Å; V481-L485 HydrophobicContact CG1-CD1 4.16Å; V481-L485 PolarHBondContact O-N 3.06Å; V481-L485 VanDerWaalsContact O-N 3.15Å
482A96.3Very high93.9Very high19 Ų1931.3 Ų31.316%0.15719%0.192CC..Hα-helixtrans-63.4-37177.900000112.6L456 T478 G479 L485 K486L456-A482 HydrophobicContact CD1-CB 3.97Å; T478-A482 VanDerWaalsContact O-CB 3.29Å; T478-A482 WeakPolarHBondContact O-CB 3.42Å; T478-A482 PolarHBondContact O-N 3.34Å; G479-A482 PolarHBondContact O-N 2.88Å; A482-L485 PolarHBondContact O-N 3.32Å; A482-K486 PolarHBondContact O-N 2.87Å
483V96.3Very high93.8Very high109 Ų10932.4 Ų32.466%0.66120%0.198SC*.Hα-helixtrans-64.7-42.3175.1169.10000111.2G479 G480 V481 L485 K486G479-V483 WeakPolarHBondContact O-CG2 3.37Å; G479-V483 PolarHBondContact O-N 3.33Å; G479-V483 VanDerWaalsContact O-N 3.07Å; G480-V483 PolarHBondContact O-N 3.2Å; V481-V483 VanDerWaalsContact C-N 3.33Å; V481-V483 PolarHBondContact O-N 3.22Å; V483-L485 PolarHBondContact O-N 3.02Å; V483-K486 VanDerWaalsContact O-CB 3.3Å; V483-K486 WeakPolarHBondContact O-CB 3.34Å; V483-K486 PolarHBondContact O-N 3.38Å
484L97.2Very high93.6Very high71 Ų7130.6 Ų30.637%0.37219%0.188SC..Hα-helixtrans-62.7-31.8176.9-69.9171.3000112.5A341 A344 A345 L348 G480 V481A341-L484 WeakPolarHBondContact CB-O 3.43Å; A344-L484 HydrophobicContact CB-CD1 4.32Å; A344-L484 HydrophobicContact CB-CD2 4.38Å; A345-L484 HydrophobicContact CB-CB 4.46Å; A345-L484 HydrophobicContact CB-CD1 4.43Å; L348-L484 HydrophobicContact CB-CD1 4.22Å; L348-L484 HydrophobicContact CD2-CD1 3.76Å; G480-L484 WeakPolarHBondContact O-CG 3.43Å; G480-L484 PolarHBondContact O-N 3.4Å; G480-L484 VanDerWaalsContact O-N 3.12Å; V481-L484 PolarHBondContact O-N 3.36Å
485L96.5Very high92.5Very high0 Ų033.4 Ų33.40%020%0.201CC..THydrogen-bonded Turntrans-95.40.8-179.2-62.2177.2000114.2A341 V342 A345 L439 L452 L456 V481 A482 V483 D487 A488 I489A341-L485 HydrophobicContact CB-CD2 4.11Å; V342-L485 HydrophobicContact CG2-CD2 3.97Å; A345-L485 HydrophobicContact CB-CD1 4.34Å; A345-L485 HydrophobicContact CB-CD2 4.16Å; A345-L485 HydrophobicContact CB-CG 4.15Å; L439-L485 HydrophobicContact CD2-CD1 4.41Å; L452-L485 HydrophobicContact CD2-CB 4.17Å; L456-L485 HydrophobicContact CD1-CD1 4.2Å; L456-L485 HydrophobicContact CD2-CD1 4Å; V481-L485 HydrophobicContact CG1-CD1 4.16Å; V481-L485 PolarHBondContact O-N 3.06Å; V481-L485 VanDerWaalsContact O-N 3.15Å; A482-L485 PolarHBondContact O-N 3.32Å; V483-L485 PolarHBondContact O-N 3.02Å; L485-D487 VanDerWaalsContact C-N 3.29Å; L485-D487 PolarHBondContact O-N 3.07Å; L485-A488 HydrophobicContact CD2-CB 4.26Å; L485-A488 PolarHBondContact O-N 2.83Å; L485-I489 PolarHBondContact O-N 3.41Å; L485-I489 VanDerWaalsContact O-N 3.1Å
486K95.4Very high89.9Confident105 Ų10532.7 Ų32.746%0.45720%0.198SC..THydrogen-bonded Turntrans-55.7-39.9-174.1179.7-162.9163.6-1590113.3A482 V483 I489A482-K486 PolarHBondContact O-N 2.87Å; V483-K486 VanDerWaalsContact O-CB 3.3Å; V483-K486 WeakPolarHBondContact O-CB 3.34Å; V483-K486 PolarHBondContact O-N 3.38Å; K486-I489 WeakPolarHBondContact O-CG2 3.08Å
487D94.1Very high87.1Confident65 Ų6531.9 Ų31.935%0.34818%0.181SC..THydrogen-bonded Turntrans-94.2-27.1-179.9-55.7-31.9000111K247 L485 I489 R490K247-D487 WeakPolarHBondContact CD-O 3.44Å; K247-D487 WeakPolarHBondContact CE-O 3.47Å; K247-D487 PolarHBondContact NZ-O 2.95Å; L485-D487 VanDerWaalsContact C-N 3.29Å; L485-D487 PolarHBondContact O-N 3.07Å; D487-I489 VanDerWaalsContact C-N 3.27Å; D487-I489 PolarHBondContact O-N 3.39Å; D487-R490 WeakPolarHBondContact O-CB 3.38Å; D487-R490 PolarHBondContact O-N 3.42Å
488A94.6Very high84.7Confident7 Ų731.6 Ų31.66%0.05818%0.18CC..THydrogen-bonded Turntrans-62.9-32.1177.400000112.8K247 D338 A341 L443 L485 R490K247-A488 PolarHBondContact NZ-O 2.93Å; D338-A488 HydrophobicContact CB-CB 4.37Å; D338-A488 WeakPolarHBondContact OD1-CA 3.26Å; A341-A488 HydrophobicContact CB-CB 3.82Å; L443-A488 HydrophobicContact CD1-CB 4.29Å; L443-A488 HydrophobicContact CD2-CB 4.08Å; L485-A488 HydrophobicContact CD2-CB 4.26Å; L485-A488 PolarHBondContact O-N 2.83Å; A488-R490 VanDerWaalsContact C-N 3.27Å; A488-R490 PolarHBondContact O-N 2.89Å
489I94.2Very high82.8Confident4 Ų432 Ų322%0.02118%0.183CC..THydrogen-bonded Turntrans-69.2-22.9179.4-174.3164.6000113.5L250 L443 A446 L449 L452 L485 K486 D487 L501L250-I489 HydrophobicContact CD1-CG1 4.42Å; L250-I489 HydrophobicContact CD1-CG2 4.37Å; L443-I489 VanDerWaalsContact CD1-CA 3.5Å; L443-I489 HydrophobicContact CD1-CB 3.75Å; L443-I489 HydrophobicContact CD1-CG1 4.34Å; A446-I489 HydrophobicContact CB-CD1 3.9Å; L449-I489 HydrophobicContact CD2-CG2 3.74Å; L449-I489 HydrophobicContact CG-CG2 4.49Å; L452-I489 HydrophobicContact CB-CD1 3.72Å; L452-I489 HydrophobicContact CD1-CD1 4.16Å; L452-I489 HydrophobicContact CD2-CB 4.37Å; L452-I489 HydrophobicContact CD2-CD1 3.81Å; L452-I489 HydrophobicContact CG-CD1 4.08Å; L485-I489 PolarHBondContact O-N 3.41Å; L485-I489 VanDerWaalsContact O-N 3.1Å; K486-I489 WeakPolarHBondContact O-CG2 3.08Å; D487-I489 VanDerWaalsContact C-N 3.27Å; D487-I489 PolarHBondContact O-N 3.39Å; I489-L501 HydrophobicContact CD1-CD1 3.67Å; I489-L501 HydrophobicContact CG1-CD1 3.34Å
490R94.8Very high82Confident55 Ų5530.7 Ų30.721%0.20817%0.169CC..SBendtrans-70.8131.6177.4-68.9174.4-176.3-177.9-3.9109.6E239 K247 I248 L250 D487 A488E239-R490 IonicContact OE2-NH1 2.77Å; E239-R490 PolarHBondContact OE2-NH1 2.97Å; K247-R490 HydrophobicContact CB-CB 4.44Å; K247-R490 HydrophobicContact CD-CB 3.73Å; K247-R490 VanDerWaalsContact CD-O 3.27Å; K247-R490 WeakPolarHBondContact CD-O 3.37Å; K247-R490 PolarHBondContact NZ-O 2.88Å; I248-R490 VanDerWaalsContact O-CB 3.28Å; I248-R490 WeakPolarHBondContact O-CB 3.4Å; L250-R490 HydrophobicContact CD2-CG 4.48Å; L250-R490 HydrophobicContact CG-CG 4.37Å; D487-R490 WeakPolarHBondContact O-CB 3.38Å; D487-R490 PolarHBondContact O-N 3.42Å; A488-R490 VanDerWaalsContact C-N 3.27Å; A488-R490 PolarHBondContact O-N 2.89Å
491P93.9Very high81.3Confident8 Ų829.2 Ų29.25%0.05215%0.153CC..  trans-59.4146.6176.7-25.435.6000112.3K247 I248 L501 A502 I505K247-P491 WeakPolarHBondContact CA-O 3.34Å; I248-P491 PolarHBondContact N-O 3.35Å; P491-L501 HydrophobicContact CG-CB 4.36Å; P491-A502 HydrophobicContact CB-CB 3.8Å; P491-A502 HydrophobicContact CG-CB 3.87Å; P491-I505 HydrophobicContact CG-CD1 3.86Å
492T93.6Very high80.8Confident3 Ų329.5 Ų29.52%0.01816%0.155CC..EExtended strand (participates in β ladder)trans-92.1110.5171.6-620000109A246 K247 L335 T336 M494 F497A246-T492 CarbonylContact O-C 3.59Å; A246-T492 WeakPolarHBondContact O-CA 3.37Å; K247-T492 WeakPolarHBondContact CE-OG1 3.34Å; L335-T492 HydrophobicContact CD1-CG2 4.18Å; L335-T492 HydrophobicContact CD2-CG2 4.23Å; L335-T492 HydrophobicContact CG-CG2 4.14Å; T336-T492 HydrophobicContact CG2-CG2 3.54Å; T336-T492 PolarHBondContact OG1-OG1 3.42Å; T492-M494 HydrophobicContact CG2-CG 4.06Å; T492-M494 PolarHBondContact O-N 3.41Å; T492-F497 WeakPolarHBondContact O-CB 3.39Å
493L92.4Very high80.4Confident24 Ų2428.6 Ų28.613%0.12615%0.148CC..EExtended strand (participates in β ladder)trans-74.5109.6165.2-174.571.2000108I224 A228 I231 L233 K245 A246 I248I224-L493 HydrophobicContact CD1-CD2 3.98Å; I224-L493 HydrophobicContact CD1-CG 3.84Å; I224-L493 WeakPolarHBondContact CD1-O 3.44Å; I224-L493 HydrophobicContact CG1-CD2 4.2Å; I224-L493 HydrophobicContact CG1-CG 4.37Å; A228-L493 HydrophobicContact CB-CD2 3.85Å; I231-L493 HydrophobicContact CD1-CD1 3.83Å; I231-L493 HydrophobicContact CD1-CD2 4.16Å; L233-L493 HydrophobicContact CD1-CD2 4.05Å; K245-L493 CarbonylContact C-O 3.52Å; K245-L493 VanDerWaalsContact CA-O 3.3Å; K245-L493 WeakPolarHBondContact CA-O 3.42Å; A246-L493 PolarHBondContact N-O 2.91Å; A246-L493 PolarHBondContact O-N 3.23Å; I248-L493 HydrophobicContact CD1-CB 3.56Å; I248-L493 HydrophobicContact CD1-CD2 4.05Å; I248-L493 HydrophobicContact CD1-CG 4.4Å; I248-L493 HydrophobicContact CG1-CB 3.71Å
494M86.4Confident80Confident2 Ų224.8 Ų24.81%0.0112%0.124CC..SBendtrans-112.3-156151.4-71.2-164.57300106.2K245 E330 F331 L335 T492 T496K245-M494 HydrophobicContact CB-CE 4.38Å; K245-M494 HydrophobicContact CB-CG 3.57Å; K245-M494 HydrophobicContact CB-SD 4.13Å; E330-M494 HydrophobicContact CB-CE 4.35Å; F331-M494 HydrophobicContact CB-SD 4.4Å; F331-M494 HydrophobicContact CD2-SD 3.71Å; L335-M494 HydrophobicContact CD1-CG 4.25Å; L335-M494 HydrophobicContact CD1-SD 3.23Å; L335-M494 WeakPolarHBondContact CD1-SD 3.45Å; T492-M494 HydrophobicContact CG2-CG 4.06Å; T492-M494 PolarHBondContact O-N 3.41Å; M494-T496 PolarHBondContact O-N 2.77Å; M494-T496 VanDerWaalsContact O-N 3.1Å
495Q65Low79.6Confident73 Ų7321.7 Ų21.734%0.34111%0.108SC..SBendtrans-62.9-3.6160.5-62.5179.7-20.600113I227 I326I227-Q495 HydrophobicContact CD1-CG 4.09Å; I326-Q495 PolarHBondContact O-OE1 2.93Å
496T35Very low79.5Confident10 Ų1021.9 Ų21.96%0.06111%0.11CC..  trans-176157.4158.551.30000115.9G300 V302 I325 M494G300-T496 VanDerWaalsContact C-CG2 3.46Å; G300-T496 VanDerWaalsContact CA-CG2 3.45Å; G300-T496 WeakPolarHBondContact O-CA 3.29Å; G300-T496 WeakPolarHBondContact O-CB 3.46Å; G300-T496 WeakPolarHBondContact O-CG2 3.2Å; V302-T496 VanDerWaalsContact CG2-OG1 3.28Å; V302-T496 WeakPolarHBondContact CG2-OG1 3.46Å; I325-T496 WeakPolarHBondContact CD1-OG1 3.37Å; I325-T496 WeakPolarHBondContact CG1-OG1 3.28Å; M494-T496 PolarHBondContact O-N 2.77Å; M494-T496 VanDerWaalsContact O-N 3.1Å
497F30.3Very low79.3Confident29 Ų2917 Ų1713%0.1279%0.088CC..  trans-165.6152.3164.7-175.6-88.4000114.2C301 V302 Q304 L335 T492 A502C301-F497 WeakPolarHBondContact CA-O 3.34Å; C301-F497 WeakPolarHBondContact CB-O 3.48Å; C301-F497 PolarHBondContact SG-O 3.17Å; C301-F497 VanDerWaalsContact SG-O 3.41Å; V302-F497 VanDerWaalsContact N-C 3.31Å; V302-F497 CarbonylContact O-C 3.57Å; V302-F497 WeakPolarHBondContact O-CA 3.45Å; Q304-F497 HydrophobicContact CB-CD2 4.21Å; Q304-F497 HydrophobicContact CB-CE2 3.54Å; Q304-F497 HydrophobicContact CB-CZ 4.45Å; L335-F497 HydrophobicContact CD2-CD2 4.16Å; L335-F497 HydrophobicContact CD2-CE2 4.11Å; T492-F497 WeakPolarHBondContact O-CB 3.39Å; F497-A502 HydrophobicContact CD1-CB 4.42Å
498S42.4Very low79.3Confident15 Ų1515.5 Ų15.511%0.1058%0.079CC..  trans-125.3129.5-173.8-170.50000115.3C301 V302 T518C301-S498 VanDerWaalsContact C-CB 3.47Å; V302-S498 VanDerWaalsContact C-CB 3.44Å; V302-S498 WeakPolarHBondContact O-CB 3.34Å; V302-S498 PolarHBondContact O-N 3.28Å; S498-T518 PolarHBondContact OG-OG1 3.1Å
499S55.7Low79.2Confident11 Ų1116.3 Ų16.38%0.0778%0.082CC..SBendtrans-161.6169.216468.20000107.8L501 A502 D503S499-L501 PolarHBondContact O-N 3.22Å; S499-A502 WeakPolarHBondContact O-CB 3.14Å; S499-A502 PolarHBondContact O-N 2.95Å; S499-A502 WeakPolarHBondContact OG-CB 3.32Å; S499-A502 PolarHBondContact OG-N 2.91Å; S499-D503 PolarHBondContact O-N 3.2Å
500V76.3Confident78.8Confident0 Ų016.3 Ų16.30%08%0.082CC..Hα-helixtrans-54-44.5174.9165.50000111.4S444 M445 T447 D503 L504 K535S444-V500 WeakPolarHBondContact O-CG2 2.99Å; S444-V500 PolarHBondContact O-N 3.18Å; M445-V500 HydrophobicContact SD-CG2 4.36Å; T447-V500 HydrophobicContact CG2-CG1 4.03Å; V500-D503 PolarHBondContact O-N 2.8Å; V500-L504 HydrophobicContact CG1-CD1 3.77Å; V500-L504 HydrophobicContact CG1-CG 4.38Å; V500-L504 WeakPolarHBondContact O-CB 3.41Å; V500-L504 VanDerWaalsContact O-CG 3.24Å; V500-L504 WeakPolarHBondContact O-CG 3.38Å; V500-L504 PolarHBondContact O-N 2.83Å; V500-K535 HydrophobicContact CG2-CG 3.81Å
501L80.7Confident78Confident2 Ų219 Ų191%0.0110%0.097CC..Hα-helixtrans-65.7-37.6175.6-79.4166000112.9L250 L253 A446 T447 I489 P491 S499 I505L250-L501 HydrophobicContact CD1-CD1 4.01Å; L250-L501 HydrophobicContact CD2-CB 4.4Å; L250-L501 HydrophobicContact CD2-CD1 3.93Å; L250-L501 HydrophobicContact CD2-CD2 4.12Å; L250-L501 HydrophobicContact CD2-CG 4.38Å; L253-L501 HydrophobicContact CD1-CD2 3.54Å; A446-L501 WeakPolarHBondContact O-CG 3.29Å; T447-L501 VanDerWaalsContact O-CD2 3.28Å; T447-L501 WeakPolarHBondContact O-CD2 3.25Å; I489-L501 HydrophobicContact CD1-CD1 3.67Å; I489-L501 HydrophobicContact CG1-CD1 3.34Å; P491-L501 HydrophobicContact CG-CB 4.36Å; S499-L501 PolarHBondContact O-N 3.22Å; L501-I505 WeakPolarHBondContact O-CB 3.35Å; L501-I505 VanDerWaalsContact O-CG1 3.29Å; L501-I505 WeakPolarHBondContact O-CG1 3.39Å; L501-I505 PolarHBondContact O-N 3.46Å
502A84.9Confident77.6Confident7 Ų721.9 Ų21.96%0.05812%0.115CC..Hα-helixtrans-63.5-44.5176.300000111.2P491 F497 S499 I505 A506P491-A502 HydrophobicContact CB-CB 3.8Å; P491-A502 HydrophobicContact CG-CB 3.87Å; F497-A502 HydrophobicContact CD1-CB 4.42Å; S499-A502 WeakPolarHBondContact O-CB 3.14Å; S499-A502 PolarHBondContact O-N 2.95Å; S499-A502 WeakPolarHBondContact OG-CB 3.32Å; S499-A502 PolarHBondContact OG-N 2.91Å; A502-I505 PolarHBondContact O-N 3.29Å; A502-A506 WeakPolarHBondContact O-CB 3.42Å; A502-A506 PolarHBondContact O-N 2.85Å
503D87.9Confident77.3Confident0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-67.5-42.5179.1-53.8-26.1000111.3Y264 C301 S499 V500 A506 L507 K535 L541Y264-D503 HydrophobicContact CE2-CB 4.23Å; Y264-D503 PolarHBondContact OH-OD2 3.09Å; C301-D503 WeakPolarHBondContact CB-OD1 3.27Å; C301-D503 PolarHBondContact SG-OD1 2.95Å; S499-D503 PolarHBondContact O-N 3.2Å; V500-D503 PolarHBondContact O-N 2.8Å; D503-A506 PolarHBondContact O-N 3.22Å; D503-L507 VanDerWaalsContact O-CB 3.27Å; D503-L507 WeakPolarHBondContact O-CB 3.31Å; D503-L507 WeakPolarHBondContact O-CG 3.38Å; D503-L507 PolarHBondContact O-N 3.25Å; D503-K535 IonicContact OD1-NZ 3.39Å; D503-K535 WeakPolarHBondContact OD2-CE 3.45Å; D503-K535 IonicContact OD2-NZ 2.95Å; D503-K535 PolarHBondContact OD2-NZ 3.14Å; D503-L541 HydrophobicContact CB-CD1 4.19Å
504L88Confident77.4Confident29 Ų2925.6 Ų25.615%0.15214%0.135CC..Hα-helixtrans-60.6-45.6175.9-74169.5000111.4L253 V500 K508 L541L253-L504 HydrophobicContact CD1-CB 4.42Å; L253-L504 HydrophobicContact CD2-CB 3.89Å; V500-L504 HydrophobicContact CG1-CD1 3.77Å; V500-L504 HydrophobicContact CG1-CG 4.38Å; V500-L504 WeakPolarHBondContact O-CB 3.41Å; V500-L504 VanDerWaalsContact O-CG 3.24Å; V500-L504 WeakPolarHBondContact O-CG 3.38Å; V500-L504 PolarHBondContact O-N 2.83Å; L504-K508 WeakPolarHBondContact O-CG 3.34Å; L504-K508 PolarHBondContact O-N 3.04Å; L504-L541 HydrophobicContact CD2-CD1 4.11Å; L504-L541 HydrophobicContact CD2-CD2 3.95Å; L504-L541 HydrophobicContact CD2-CG 4.11Å; L504-L541 HydrophobicContact CG-CD1 4.42Å
505I90.1Very high77.9Confident6 Ų626 Ų263%0.03114%0.137CC..Hα-helixtrans-65.3-47.9177.9-74.4166.5000110.3I248 L250 V252 L253 P491 L501 A502 L507 K508 L509I248-I505 HydrophobicContact CG2-CG2 4.18Å; L250-I505 HydrophobicContact CD2-CD1 4.04Å; V252-I505 HydrophobicContact CB-CG2 4.43Å; V252-I505 HydrophobicContact CG1-CG2 3.99Å; L253-I505 HydrophobicContact CD1-CG1 4.17Å; L253-I505 HydrophobicContact CD2-CB 4.47Å; L253-I505 HydrophobicContact CD2-CG1 3.69Å; L253-I505 HydrophobicContact CG-CD1 4.39Å; L253-I505 HydrophobicContact CG-CG1 3.64Å; P491-I505 HydrophobicContact CG-CD1 3.86Å; L501-I505 WeakPolarHBondContact O-CB 3.35Å; L501-I505 VanDerWaalsContact O-CG1 3.29Å; L501-I505 WeakPolarHBondContact O-CG1 3.39Å; L501-I505 PolarHBondContact O-N 3.46Å; A502-I505 PolarHBondContact O-N 3.29Å; I505-L507 VanDerWaalsContact C-N 3.33Å; I505-L507 PolarHBondContact O-N 2.97Å; I505-K508 PolarHBondContact O-N 2.8Å; I505-K508 VanDerWaalsContact O-N 3.15Å; I505-L509 HydrophobicContact CG2-CD1 3.66Å; I505-L509 HydrophobicContact CG2-CG 4.34Å; I505-L509 WeakPolarHBondContact O-CG 3.44Å; I505-L509 PolarHBondContact O-N 2.84Å; I505-L509 VanDerWaalsContact O-N 3.1Å
506A93.1Very high79.3Confident5 Ų522.5 Ų22.54%0.04112%0.12CC..Hα-helixtrans-57.7-46.6179.100000111.1I299 A502 D503 K508 L509 I510 V516I299-A506 HydrophobicContact CB-CB 4.22Å; I299-A506 HydrophobicContact CD1-CB 4.35Å; I299-A506 HydrophobicContact CG2-CB 3.83Å; A502-A506 WeakPolarHBondContact O-CB 3.42Å; A502-A506 PolarHBondContact O-N 2.85Å; D503-A506 PolarHBondContact O-N 3.22Å; A506-K508 PolarHBondContact O-N 2.91Å; A506-L509 PolarHBondContact O-N 3.41Å; A506-I510 WeakPolarHBondContact O-CG1 3.24Å; A506-I510 PolarHBondContact O-N 3.17Å; A506-I510 VanDerWaalsContact O-N 3.11Å; A506-V516 HydrophobicContact CB-CG1 4.05Å; A506-V516 HydrophobicContact CB-CG2 3.62Å
507L92.3Very high82.3Confident1 Ų122 Ų221%0.00512%0.118CC..Hα-helixtrans-62.3-27.7-179.5-79.1169.3000113.1N261 G262 Y264 D503 I505 I510 V516 L541N261-L507 WeakPolarHBondContact CA-O 3.45Å; N261-L507 HydrophobicContact CB-CB 4.11Å; N261-L507 HydrophobicContact CB-CD2 4.49Å; G262-L507 PolarHBondContact N-O 2.92Å; Y264-L507 HydrophobicContact CD2-CD1 4.37Å; Y264-L507 HydrophobicContact CD2-CD2 4.47Å; Y264-L507 HydrophobicContact CG-CD1 4.26Å; Y264-L507 HydrophobicContact CG-CD2 4.47Å; D503-L507 VanDerWaalsContact O-CB 3.27Å; D503-L507 WeakPolarHBondContact O-CB 3.31Å; D503-L507 WeakPolarHBondContact O-CG 3.38Å; D503-L507 PolarHBondContact O-N 3.25Å; I505-L507 VanDerWaalsContact C-N 3.33Å; I505-L507 PolarHBondContact O-N 2.97Å; L507-I510 HydrophobicContact CD2-CD1 4.41Å; L507-V516 HydrophobicContact CB-CG2 4.3Å; L507-V516 HydrophobicContact CD2-CB 3.79Å; L507-V516 HydrophobicContact CD2-CG2 3.64Å; L507-V516 HydrophobicContact CG-CB 4.06Å; L507-V516 HydrophobicContact CG-CG2 3.74Å; L507-L541 HydrophobicContact CD1-CD1 3.65Å; L507-L541 HydrophobicContact CD1-CD2 3.58Å; L507-L541 HydrophobicContact CD1-CG 4.24Å
508K93.1Very high85.4Confident35 Ų3520.6 Ų20.615%0.15211%0.112CC..Hα-helixtrans-80.6-29.8174.4-68.7-54.8-167.7-169.50113.2L253 L256 V259 N261 L504 I505 A506L253-K508 HydrophobicContact CD2-CG 4.24Å; L256-K508 HydrophobicContact CB-CB 3.77Å; L256-K508 HydrophobicContact CB-CG 4.24Å; L256-K508 HydrophobicContact CD1-CB 3.92Å; L256-K508 WeakPolarHBondContact O-CD 3.43Å; V259-K508 HydrophobicContact CB-CD 4.49Å; V259-K508 WeakPolarHBondContact O-CD 3.27Å; V259-K508 PolarHBondContact O-NZ 3.27Å; N261-K508 WeakPolarHBondContact OD1-CD 2.91Å; N261-K508 VanDerWaalsContact OD1-CE 3.22Å; N261-K508 WeakPolarHBondContact OD1-CE 3.49Å; N261-K508 PolarHBondContact OD1-NZ 2.98Å; L504-K508 WeakPolarHBondContact O-CG 3.34Å; L504-K508 PolarHBondContact O-N 3.04Å; I505-K508 PolarHBondContact O-N 2.8Å; I505-K508 VanDerWaalsContact O-N 3.15Å; A506-K508 PolarHBondContact O-N 2.91Å
509L92.2Very high87.8Confident23 Ų2320.3 Ų20.312%0.1211%0.109CC..Hα-helixtrans-79.8-36-177.9-70.6167.3000113.2I231 L233 V252 L256 I299 I505 A506 E511I231-L509 HydrophobicContact CD1-CD1 4.31Å; I231-L509 WeakPolarHBondContact O-CD2 3.38Å; L233-L509 HydrophobicContact CD1-CD1 4.45Å; L233-L509 HydrophobicContact CD2-CD1 3.99Å; L233-L509 HydrophobicContact CD2-CD2 3.89Å; L233-L509 HydrophobicContact CG-CD1 4.14Å; L233-L509 HydrophobicContact CG-CD2 4.12Å; V252-L509 HydrophobicContact CG1-CD2 4.12Å; V252-L509 HydrophobicContact CG1-CG 4.38Å; L256-L509 HydrophobicContact CD1-CD2 3.71Å; L256-L509 HydrophobicContact CD1-CG 4.22Å; I299-L509 HydrophobicContact CD1-CB 4.23Å; I505-L509 HydrophobicContact CG2-CD1 3.66Å; I505-L509 HydrophobicContact CG2-CG 4.34Å; I505-L509 WeakPolarHBondContact O-CG 3.44Å; I505-L509 PolarHBondContact O-N 2.84Å; I505-L509 VanDerWaalsContact O-N 3.1Å; A506-L509 PolarHBondContact O-N 3.41Å; L509-E511 VanDerWaalsContact C-N 3.25Å; L509-E511 PolarHBondContact O-N 3.14Å
510I87.2Confident89.5Confident4 Ų420.1 Ų20.12%0.02111%0.108CC..SBendtrans-75.21.7-171.852.3132.5000116.3G262 I299 A506 L507 G514 V516G262-I510 VanDerWaalsContact CA-CD1 3.5Å; I299-I510 HydrophobicContact CB-CG2 3.99Å; I299-I510 HydrophobicContact CD1-CG2 3.58Å; I299-I510 HydrophobicContact CG1-CG2 3.54Å; A506-I510 WeakPolarHBondContact O-CG1 3.24Å; A506-I510 PolarHBondContact O-N 3.17Å; A506-I510 VanDerWaalsContact O-N 3.11Å; L507-I510 HydrophobicContact CD2-CD1 4.41Å; I510-G514 VanDerWaalsContact CD1-O 3.28Å; I510-G514 WeakPolarHBondContact CD1-O 3.36Å; I510-G514 WeakPolarHBondContact O-CA 3.31Å; I510-G514 PolarHBondContact O-N 3.43Å; I510-V516 HydrophobicContact CD1-CG2 3.85Å; I510-V516 HydrophobicContact CG1-CG2 3.87Å; I510-V516 HydrophobicContact CG2-CG2 4.27Å
511E77.9Confident90Very high113 Ų11320.7 Ų20.753%0.52811%0.113SC..THydrogen-bonded Turntrans59.4167-172.8-60.5-173.3174.100113.6G262 L509 D513 G514G262-E511 VanDerWaalsContact CA-O 3.26Å; G262-E511 WeakPolarHBondContact CA-O 3.38Å; L509-E511 VanDerWaalsContact C-N 3.25Å; L509-E511 PolarHBondContact O-N 3.14Å; E511-D513 PolarHBondContact O-N 3.14Å; E511-G514 PolarHBondContact O-N 2.8Å
512P84.9Confident90.4Very high67 Ų6725.1 Ų25.144%0.43513%0.133SC..THydrogen-bonded Turntrans-65.6-18.9-170.9-25.836.9000116.2K260K260-P512 HydrophobicContact CB-CG 4.17Å
513D88.3Confident90.8Very high106 Ų10624.8 Ų24.857%0.56713%0.13SC*.THydrogen-bonded Turntrans-100.4-8.1-179.764.4-28.2000113.6E511 F515E511-D513 PolarHBondContact O-N 3.14Å; D513-F515 WeakPolarHBondContact O-CE2 3.46Å
514G94.1Very high91.2Very high0 Ų024.9 Ų24.90%013%0.13CC..SBendtrans-79.9178.6173.700000114K263 N297 I510 E511K263-G514 WeakPolarHBondContact CB-O 3.47Å; K263-G514 PolarHBondContact N-O 3.38Å; N297-G514 CarbonylContact O-C 3.57Å; N297-G514 WeakPolarHBondContact O-CA 3.07Å; I510-G514 VanDerWaalsContact CD1-O 3.28Å; I510-G514 WeakPolarHBondContact CD1-O 3.36Å; I510-G514 WeakPolarHBondContact O-CA 3.31Å; I510-G514 PolarHBondContact O-N 3.43Å; E511-G514 PolarHBondContact O-N 2.8Å
515F95.8Very high91.5Very high9 Ų923.5 Ų23.54%0.03912%0.123CC..EExtended strand (participates in β ladder)trans-130.8132.3-174.5-63.4-97.5000112.6K263 V265 L290 A296 N297 A298 I299 D513 K653 C656K263-F515 HydrophobicContact CB-CD1 3.61Å; K263-F515 HydrophobicContact CB-CE1 3.8Å; K263-F515 HydrophobicContact CB-CG 4.26Å; K263-F515 HydrophobicContact CG-CD1 4.31Å; K263-F515 HydrophobicContact CG-CE1 4.03Å; K263-F515 HydrophobicContact CG-CZ 4.43Å; K263-F515 CarbonylContact O-C 3.45Å; K263-F515 WeakPolarHBondContact O-CA 3.39Å; V265-F515 HydrophobicContact CG2-CD1 4.04Å; L290-F515 HydrophobicContact CD1-CB 3.82Å; L290-F515 HydrophobicContact CD1-CG 4.07Å; L290-F515 HydrophobicContact CD2-CD1 4.36Å; L290-F515 HydrophobicContact CD2-CD2 3.94Å; L290-F515 HydrophobicContact CD2-CE2 4.17Å; L290-F515 HydrophobicContact CD2-CG 4.06Å; L290-F515 HydrophobicContact CD2-CZ 4.47Å; A296-F515 HydrophobicContact CB-CD2 3.83Å; A296-F515 HydrophobicContact CB-CE2 3.75Å; N297-F515 PolarHBondContact O-N 3.15Å; A298-F515 CarbonylContact C-O 3.44Å; A298-F515 WeakPolarHBondContact CA-O 3.07Å; A298-F515 HydrophobicContact CB-CB 4.13Å; I299-F515 PolarHBondContact N-O 2.89Å; D513-F515 WeakPolarHBondContact O-CE2 3.46Å; F515-K653 HydrophobicContact CZ-CB 3.94Å; F515-K653 HydrophobicContact CZ-CG 4.08Å; F515-C656 HydrophobicContact CE1-CB 4.09Å
516V96Very high91.7Very high0 Ų023.5 Ų23.50%012%0.123CC..EExtended strand (participates in β ladder)trans-103.3118.8163.81760000108.4K263 Y264 V265 I299 A506 L507 I510K263-V516 PolarHBondContact O-N 3Å; Y264-V516 HydrophobicContact CD2-CB 4.23Å; Y264-V516 HydrophobicContact CD2-CG1 4.11Å; Y264-V516 HydrophobicContact CE2-CG1 4.21Å; V265-V516 PolarHBondContact N-O 3.19Å; I299-V516 WeakPolarHBondContact O-CA 3.23Å; A506-V516 HydrophobicContact CB-CG1 4.05Å; A506-V516 HydrophobicContact CB-CG2 3.62Å; L507-V516 HydrophobicContact CB-CG2 4.3Å; L507-V516 HydrophobicContact CD2-CB 3.79Å; L507-V516 HydrophobicContact CD2-CG2 3.64Å; L507-V516 HydrophobicContact CG-CB 4.06Å; L507-V516 HydrophobicContact CG-CG2 3.74Å; I510-V516 HydrophobicContact CD1-CG2 3.85Å; I510-V516 HydrophobicContact CG1-CG2 3.87Å; I510-V516 HydrophobicContact CG2-CG2 4.27Å
517V96.5Very high91.7Very high0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-106109.8178-171.30000108.6V265 V267 T283 L286 V287 L290 I299 G300 C301V265-V517 HydrophobicContact CB-CG2 4.42Å; V265-V517 WeakPolarHBondContact O-CA 3.3Å; V267-V517 HydrophobicContact CG2-CG1 3.55Å; T283-V517 HydrophobicContact CG2-CG1 3.97Å; L286-V517 HydrophobicContact CD2-CG1 3.89Å; L286-V517 HydrophobicContact CD2-CG2 4.26Å; L286-V517 HydrophobicContact CG-CG1 4.42Å; L286-V517 HydrophobicContact CG-CG2 4.24Å; V287-V517 HydrophobicContact CG2-CB 3.62Å; V287-V517 HydrophobicContact CG2-CG1 4.31Å; V287-V517 HydrophobicContact CG2-CG2 3.77Å; L290-V517 HydrophobicContact CD1-CG2 3.7Å; I299-V517 PolarHBondContact O-N 3.36Å; G300-V517 CarbonylContact C-O 3.56Å; G300-V517 VanDerWaalsContact CA-O 3.29Å; G300-V517 WeakPolarHBondContact CA-O 3.44Å; C301-V517 PolarHBondContact N-O 3.42Å
518T95.5Very high91.8Very high0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-109.4163.1174.7-173.30000110.6Y264 V265 L266 V267 C301 S498 F531Y264-T518 HydrophobicContact CD2-CG2 4.31Å; Y264-T518 HydrophobicContact CE2-CG2 3.35Å; V265-T518 PolarHBondContact O-N 3.07Å; L266-T518 CarbonylContact C-O 3.59Å; L266-T518 WeakPolarHBondContact CA-O 3.37Å; L266-T518 HydrophobicContact CD1-CG2 3.76Å; V267-T518 PolarHBondContact N-O 3.49Å; C301-T518 WeakPolarHBondContact O-CA 3.42Å; C301-T518 PolarHBondContact O-OG1 3.04Å; S498-T518 PolarHBondContact OG-OG1 3.1Å; T518-F531 HydrophobicContact CG2-CE2 3.75Å; T518-F531 HydrophobicContact CG2-CZ 4.14Å
519E94.1Very high92Very high9 Ų922 Ų224%0.04212%0.118CC..EExtended strand (participates in β ladder)trans-115.8156.617158.5158.6-123.400113.7V267 S280 C301 R303V267-E519 HydrophobicContact CB-CB 4.48Å; V267-E519 VanDerWaalsContact O-CA 3.26Å; V267-E519 WeakPolarHBondContact O-CA 3.15Å; S280-E519 WeakPolarHBondContact CB-OE2 3.38Å; S280-E519 PolarHBondContact OG-OE2 3Å; C301-E519 PolarHBondContact O-N 3.24Å; R303-E519 IonicContact CZ-OE1 3.74Å; R303-E519 IonicContact NE-OE1 3.66Å; R303-E519 PolarHBondContact NE-OE1 3.44Å; R303-E519 IonicContact NH2-OE1 3.06Å; R303-E519 PolarHBondContact NH2-OE1 3.28Å
520A90.4Very high92.1Very high7 Ų723.3 Ų23.36%0.05812%0.123CC..  trans-110.6142.3163.900000111L266 V267 G527 F531L266-A520 HydrophobicContact CD1-CB 3.97Å; V267-A520 PolarHBondContact O-N 3.47Å; A520-G527 WeakPolarHBondContact CB-O 3.38Å; A520-F531 HydrophobicContact CB-CB 4.27Å
521G86.3Confident92.5Very high11 Ų1123.6 Ų23.611%0.11312%0.124CC..SBendtrans-70.2148.3176.600000112.4G527G521-G527 WeakPolarHBondContact O-CA 3.42Å; G521-G527 PolarHBondContact O-N 3.21Å
522F90.3Very high93.3Very high96 Ų9618.2 Ų18.242%0.42110%0.098SC..SBendtrans67.1-153.5-177-45.2-58.4000113.7S269 P272 K279 I526 L719S269-F522 PolarHBondContact OG-O 3.14Å; S269-F522 VanDerWaalsContact OG-O 3.1Å; P272-F522 HydrophobicContact CG-CB 4.28Å; K279-F522 WeakPolarHBondContact CE-O 3.34Å; K279-F522 PolarHBondContact NZ-O 2.92Å; F522-I526 HydrophobicContact CB-CB 4.13Å; F522-I526 HydrophobicContact CB-CD1 4.5Å; F522-I526 HydrophobicContact CB-CG2 4.39Å; F522-I526 HydrophobicContact CD2-CB 4.33Å; F522-I526 HydrophobicContact CD2-CG2 3.66Å; F522-I526 HydrophobicContact CE2-CG2 4.42Å; F522-I526 HydrophobicContact CG-CG2 4.4Å; F522-L719 HydrophobicContact CD1-CB 4.05Å; F522-L719 HydrophobicContact CD1-CD2 3.93Å; F522-L719 HydrophobicContact CD1-CG 4.5Å; F522-L719 HydrophobicContact CE1-CB 4.5Å; F522-L719 HydrophobicContact CE1-CD2 3.67Å; F522-L719 HydrophobicContact CG-CB 4.49Å
523G92.7Very high93.8Very high0 Ų015.3 Ų15.30%08%0.079CC..  trans-98.3-177.4179.100000112.6S269 M270 D525 I526 G527S269-G523 CarbonylContact O-C 3.52Å; S269-G523 WeakPolarHBondContact O-CA 3.37Å; M270-G523 WeakPolarHBondContact O-CA 3.45Å; G523-D525 VanDerWaalsContact C-N 3.26Å; G523-D525 PolarHBondContact O-N 2.81Å; G523-I526 PolarHBondContact O-N 3.17Å; G523-I526 VanDerWaalsContact O-N 3.17Å; G523-G527 WeakPolarHBondContact O-CA 3.41Å; G523-G527 PolarHBondContact O-N 3.07Å
524V96.6Very high94.1Very high1 Ų112.1 Ų12.11%0.0066%0.062CC..Iπ-helixtrans-59-35.9-178.1160.40000113.2T268 S269 I526 F528 E529 L548 H591 C594 V595T268-V524 HydrophobicContact CG2-CG2 3.41Å; T268-V524 VanDerWaalsContact CG2-CG2 3.41Å; S269-V524 PolarHBondContact O-N 3.5Å; V524-I526 PolarHBondContact O-N 3.07Å; V524-F528 HydrophobicContact CB-CB 4.13Å; V524-F528 HydrophobicContact CG1-CB 4.18Å; V524-F528 HydrophobicContact CG1-CD1 3.74Å; V524-F528 HydrophobicContact CG1-CG 4.27Å; V524-F528 HydrophobicContact CG2-CB 4.06Å; V524-F528 HydrophobicContact CG2-CG 4.47Å; V524-F528 WeakPolarHBondContact O-CB 3.23Å; V524-E529 PolarHBondContact O-N 3.46Å; V524-L548 HydrophobicContact CG2-CD1 3.59Å; V524-H591 HydrophobicContact CB-CB 3.89Å; V524-H591 WeakPolarHBondContact CB-ND1 3.38Å; V524-H591 HydrophobicContact CG1-CB 4.19Å; V524-H591 HydrophobicContact CG2-CB 4.08Å; V524-C594 HydrophobicContact CG1-CB 3.57Å; V524-V595 HydrophobicContact CG1-CG2 4.06Å; V524-V595 HydrophobicContact CG2-CG2 3.87Å
525D93.7Very high94.2Very high0 Ų013.4 Ų13.40%07%0.068CC..Iπ-helixtrans-64.4-21.1-179.862.2-56.5000113.8G523 H591 I684 Y685 K717G523-D525 VanDerWaalsContact C-N 3.26Å; G523-D525 PolarHBondContact O-N 2.81Å; D525-H591 IonicContact OD1-CE1 2.72Å; D525-H591 PolarHBondContact OD1-CE1 3.4Å; D525-I684 HydrophobicContact CB-CG2 4.14Å; D525-Y685 HydrophobicContact CB-CD1 4.18Å; D525-Y685 HydrophobicContact CB-CE1 3.99Å; D525-Y685 WeakPolarHBondContact O-CE1 3.44Å; D525-Y685 PolarHBondContact O-OH 3.34Å; D525-K717 IonicContact OD2-NZ 3.19Å; D525-K717 PolarHBondContact OD2-NZ 3.36Å
526I94.1Very high94.1Very high6 Ų613 Ų133%0.0317%0.066CC..Iπ-helixtrans-121.7-56.2-179.1-59170.6000110.7F522 G523 V524 K530 K717 L719F522-I526 HydrophobicContact CB-CB 4.13Å; F522-I526 HydrophobicContact CB-CD1 4.5Å; F522-I526 HydrophobicContact CB-CG2 4.39Å; F522-I526 HydrophobicContact CD2-CB 4.33Å; F522-I526 HydrophobicContact CD2-CG2 3.66Å; F522-I526 HydrophobicContact CE2-CG2 4.42Å; F522-I526 HydrophobicContact CG-CG2 4.4Å; G523-I526 PolarHBondContact O-N 3.17Å; G523-I526 VanDerWaalsContact O-N 3.17Å; V524-I526 PolarHBondContact O-N 3.07Å; I526-K530 HydrophobicContact CG2-CD 4.22Å; I526-K530 WeakPolarHBondContact O-CB 3.31Å; I526-K530 VanDerWaalsContact O-CD 3.29Å; I526-K530 WeakPolarHBondContact O-CD 3.3Å; I526-K530 WeakPolarHBondContact O-CG 3.34Å; I526-K530 PolarHBondContact O-N 2.98Å; I526-K717 HydrophobicContact CD1-CD 4.42Å; I526-K717 HydrophobicContact CD1-CG 3.89Å; I526-K717 HydrophobicContact CG1-CD 4.24Å; I526-K717 HydrophobicContact CG1-CG 4.03Å; I526-L719 HydrophobicContact CD1-CB 4.13Å
527G93.2Very high94Very high8 Ų816.7 Ų16.78%0.0828%0.08CC..Iπ-helixtrans-70-54.1-173.200000113.2A520 G521 G523 F531A520-G527 WeakPolarHBondContact CB-O 3.38Å; G521-G527 WeakPolarHBondContact O-CA 3.42Å; G521-G527 PolarHBondContact O-N 3.21Å; G523-G527 WeakPolarHBondContact O-CA 3.41Å; G523-G527 PolarHBondContact O-N 3.07Å; G527-F531 VanDerWaalsContact O-CB 3.27Å; G527-F531 WeakPolarHBondContact O-CB 3.17Å; G527-F531 PolarHBondContact O-N 3.23Å
528F96.1Very high93.8Very high1 Ų118.1 Ų18.10%0.0049%0.091CC..Iπ-helixtrans-66.9-45.3-177.6168.1-104.1000111.6L266 V524 K530 F531 A532 V546 V595 F598 I600L266-F528 HydrophobicContact CD2-CB 4.5Å; L266-F528 HydrophobicContact CD2-CD2 3.44Å; L266-F528 VanDerWaalsContact CD2-CD2 3.44Å; L266-F528 HydrophobicContact CD2-CE2 4.15Å; L266-F528 HydrophobicContact CD2-CG 4.44Å; V524-F528 HydrophobicContact CB-CB 4.13Å; V524-F528 HydrophobicContact CG1-CB 4.18Å; V524-F528 HydrophobicContact CG1-CD1 3.74Å; V524-F528 HydrophobicContact CG1-CG 4.27Å; V524-F528 HydrophobicContact CG2-CB 4.06Å; V524-F528 HydrophobicContact CG2-CG 4.47Å; V524-F528 WeakPolarHBondContact O-CB 3.23Å; F528-K530 PolarHBondContact O-N 2.94Å; F528-F531 WeakPolarHBondContact O-CB 3.47Å; F528-F531 PolarHBondContact O-N 3.37Å; F528-F531 VanDerWaalsContact O-N 3.15Å; F528-A532 HydrophobicContact CE2-CB 4.41Å; F528-A532 HydrophobicContact CZ-CB 4.39Å; F528-A532 WeakPolarHBondContact O-CB 3.21Å; F528-A532 PolarHBondContact O-N 3.29Å; F528-V546 HydrophobicContact CD2-CG2 4.2Å; F528-V546 HydrophobicContact CE2-CG2 3.65Å; F528-V546 HydrophobicContact CZ-CG2 4.45Å; F528-V595 HydrophobicContact CD1-CG2 4.15Å; F528-V595 HydrophobicContact CE1-CB 4.28Å; F528-V595 HydrophobicContact CE1-CG2 3.96Å; F528-V595 HydrophobicContact CE2-CG2 4.47Å; F528-V595 HydrophobicContact CG-CG2 4.43Å; F528-V595 HydrophobicContact CZ-CB 4.27Å; F528-V595 HydrophobicContact CZ-CG1 4.2Å; F528-V595 HydrophobicContact CZ-CG2 4.12Å; F528-F598 HydrophobicContact CD1-CD2 4.46Å; F528-F598 HydrophobicContact CD1-CE2 4.31Å; F528-F598 AromaticContact CE1-CD2 3.37Å; F528-F598 HydrophobicContact CE1-CD2 3.37Å; F528-F598 AromaticContact CE1-CE2 3.6Å; F528-F598 HydrophobicContact CE1-CE2 3.6Å; F528-F598 HydrophobicContact CE1-CG 4Å; F528-F598 HydrophobicContact CE1-CZ 4.4Å; F528-F598 HydrophobicContact CZ-CB 4.09Å; F528-F598 AromaticContact CZ-CD2 3.79Å; F528-F598 HydrophobicContact CZ-CD2 3.79Å; F528-F598 HydrophobicContact CZ-CE2 4.38Å; F528-F598 AromaticContact CZ-CG 3.96Å; F528-F598 HydrophobicContact CZ-CG 3.96Å; F528-I600 HydrophobicContact CE2-CD1 4Å; F528-I600 HydrophobicContact CZ-CD1 3.92Å
529E96.1Very high93.6Very high2 Ų219 Ų191%0.00910%0.097CC..Hα-helixtrans-55-50.9177.1-178.9-79.6139.900110.8V524 F531 A532 D533 I684V524-E529 PolarHBondContact O-N 3.46Å; E529-F531 VanDerWaalsContact C-N 3.34Å; E529-F531 PolarHBondContact O-N 2.94Å; E529-A532 PolarHBondContact O-N 3.41Å; E529-A532 VanDerWaalsContact O-N 3.14Å; E529-D533 PolarHBondContact O-N 3.24Å; E529-I684 HydrophobicContact CB-CG2 4.49Å; E529-I684 HydrophobicContact CG-CG1 4.21Å
530K95.4Very high93.6Very high50 Ų5021.9 Ų21.922%0.21713%0.13CC..Hα-helixtrans-63.4-38.3176.4-67.7173-170.4-1720113I526 F528 A532 I534 K535 C714 M715I526-K530 HydrophobicContact CG2-CD 4.22Å; I526-K530 WeakPolarHBondContact O-CB 3.31Å; I526-K530 VanDerWaalsContact O-CD 3.29Å; I526-K530 WeakPolarHBondContact O-CD 3.3Å; I526-K530 WeakPolarHBondContact O-CG 3.34Å; I526-K530 PolarHBondContact O-N 2.98Å; F528-K530 PolarHBondContact O-N 2.94Å; K530-A532 VanDerWaalsContact C-N 3.33Å; K530-I534 HydrophobicContact CB-CD1 4.15Å; K530-I534 HydrophobicContact CG-CD1 4.09Å; K530-I534 WeakPolarHBondContact O-CA 3.27Å; K530-I534 WeakPolarHBondContact O-CB 3.43Å; K530-I534 PolarHBondContact O-N 3Å; K530-K535 PolarHBondContact O-N 3.34Å; K530-K535 VanDerWaalsContact O-N 3.17Å; K530-C714 WeakPolarHBondContact CE-SG 3.12Å; K530-C714 PolarHBondContact NZ-SG 3.23Å; K530-C714 VanDerWaalsContact NZ-SG 3.38Å; K530-M715 VanDerWaalsContact CE-O 3.24Å; K530-M715 WeakPolarHBondContact CE-O 3.4Å; K530-M715 PolarHBondContact NZ-O 3.25Å
531F95.5Very high93.7Very high9 Ų922.3 Ų22.34%0.03913%0.131CC..Iπ-helixtrans-58.7-48.7173.8172.7-84.4000110.5Y264 L266 T518 A520 G527 F528 E529 K535 C536 P543Y264-F531 HydrophobicContact CD1-CZ 4.46Å; Y264-F531 HydrophobicContact CE1-CE1 4.43Å; Y264-F531 HydrophobicContact CE1-CE2 4.25Å; Y264-F531 AromaticContact CE1-CZ 3.52Å; Y264-F531 HydrophobicContact CE1-CZ 3.52Å; Y264-F531 AromaticContact CZ-CE2 3.89Å; Y264-F531 AromaticContact CZ-CZ 3.57Å; Y264-F531 WeakPolarHBondContact OH-CE2 3.22Å; Y264-F531 WeakPolarHBondContact OH-CZ 3.22Å; L266-F531 HydrophobicContact CB-CE1 4.26Å; L266-F531 HydrophobicContact CB-CZ 4.24Å; L266-F531 HydrophobicContact CD1-CD1 4.34Å; L266-F531 HydrophobicContact CD1-CD2 3.71Å; L266-F531 HydrophobicContact CD1-CE1 4.3Å; L266-F531 HydrophobicContact CD1-CE2 3.68Å; L266-F531 HydrophobicContact CD1-CG 4.05Å; L266-F531 HydrophobicContact CD1-CZ 3.97Å; L266-F531 HydrophobicContact CD2-CB 4.4Å; L266-F531 HydrophobicContact CD2-CD1 3.6Å; L266-F531 HydrophobicContact CD2-CD2 4.39Å; L266-F531 HydrophobicContact CD2-CE1 3.86Å; L266-F531 HydrophobicContact CD2-CG 3.88Å; L266-F531 HydrophobicContact CD2-CZ 4.36Å; L266-F531 HydrophobicContact CG-CD1 4.45Å; L266-F531 HydrophobicContact CG-CE1 4.37Å; L266-F531 HydrophobicContact CG-CZ 4.41Å; T518-F531 HydrophobicContact CG2-CE2 3.75Å; T518-F531 HydrophobicContact CG2-CZ 4.14Å; A520-F531 HydrophobicContact CB-CB 4.27Å; G527-F531 VanDerWaalsContact O-CB 3.27Å; G527-F531 WeakPolarHBondContact O-CB 3.17Å; G527-F531 PolarHBondContact O-N 3.23Å; F528-F531 WeakPolarHBondContact O-CB 3.47Å; F528-F531 PolarHBondContact O-N 3.37Å; F528-F531 VanDerWaalsContact O-N 3.15Å; E529-F531 VanDerWaalsContact C-N 3.34Å; E529-F531 PolarHBondContact O-N 2.94Å; F531-K535 HydrophobicContact CD2-CB 4.44Å; F531-K535 HydrophobicContact CD2-CD 3.7Å; F531-K535 HydrophobicContact CE2-CD 3.89Å; F531-K535 CarbonylContact O-C 3.47Å; F531-K535 WeakPolarHBondContact O-CA 3.46Å; F531-K535 VanDerWaalsContact O-CB 3.3Å; F531-K535 WeakPolarHBondContact O-CB 3.5Å; F531-K535 PolarHBondContact O-N 2.91Å; F531-K535 VanDerWaalsContact O-N 3.14Å; F531-C536 WeakPolarHBondContact CE1-SG 3.47Å; F531-C536 PolarHBondContact O-N 3.47Å; F531-P543 HydrophobicContact CE1-CB 4.25Å; F531-P543 HydrophobicContact CE1-CG 4.06Å
532A95Very high94.1Very high0 Ų024 Ų240%014%0.144CC..Iπ-helixtrans-72.9-47.8-175.900000112.5F528 E529 K530 C536 F598 F663 F665F528-A532 HydrophobicContact CE2-CB 4.41Å; F528-A532 HydrophobicContact CZ-CB 4.39Å; F528-A532 WeakPolarHBondContact O-CB 3.21Å; F528-A532 PolarHBondContact O-N 3.29Å; E529-A532 PolarHBondContact O-N 3.41Å; E529-A532 VanDerWaalsContact O-N 3.14Å; K530-A532 VanDerWaalsContact C-N 3.33Å; A532-C536 VanDerWaalsContact O-CB 3.31Å; A532-C536 WeakPolarHBondContact O-CB 3.48Å; A532-F598 HydrophobicContact CB-CD1 3.52Å; A532-F598 HydrophobicContact CB-CE1 3.39Å; A532-F598 HydrophobicContact CB-CG 4.29Å; A532-F598 HydrophobicContact CB-CZ 4.05Å; A532-F663 HydrophobicContact CB-CE2 4.16Å; A532-F663 HydrophobicContact CB-CZ 4.3Å; A532-F665 VanDerWaalsContact O-CD1 3.27Å; A532-F665 WeakPolarHBondContact O-CD1 3.42Å; A532-F665 WeakPolarHBondContact O-CE1 3.49Å
533D94.7Very high94.3Very high7 Ų719.7 Ų19.74%0.03713%0.126CC..Iπ-helixtrans-85.4-22.8-174.6-83.3-54.4000114.4E529 R537 F598 F665 L666E529-D533 PolarHBondContact O-N 3.24Å; D533-R537 WeakPolarHBondContact O-CB 3.47Å; D533-R537 PolarHBondContact O-NE 3.41Å; D533-R537 IonicContact OD1-NH2 3.93Å; D533-F598 WeakPolarHBondContact OD2-CE1 3.41Å; D533-F598 WeakPolarHBondContact OD2-CZ 3.42Å; D533-F665 WeakPolarHBondContact OD1-CB 3.36Å; D533-L666 PolarHBondContact OD1-N 3.41Å; D533-L666 VanDerWaalsContact OD1-N 3.08Å; D533-L666 WeakPolarHBondContact OD2-CB 3.36Å
534I94.7Very high94.4Very high39 Ų3921.1 Ų21.120%0.213%0.134CC..Iπ-helixtrans-109.8-59.9-177.7-44.4-179.5000111.3M445 K530 R537 A538 P712 C714M445-I534 HydrophobicContact CE-CG2 3.76Å; K530-I534 HydrophobicContact CB-CD1 4.15Å; K530-I534 HydrophobicContact CG-CD1 4.09Å; K530-I534 WeakPolarHBondContact O-CA 3.27Å; K530-I534 WeakPolarHBondContact O-CB 3.43Å; K530-I534 PolarHBondContact O-N 3Å; I534-R537 PolarHBondContact O-N 2.97Å; I534-A538 WeakPolarHBondContact O-CB 3.4Å; I534-A538 PolarHBondContact O-N 2.94Å; I534-P712 HydrophobicContact CG1-CB 4Å; I534-C714 HydrophobicContact CD1-CB 3.92Å
535K95Very high94.4Very high27 Ų2721.1 Ų21.112%0.11713%0.133CC..Iπ-helixtrans-69.1-48.4-173.8-173.3-179.7174-1750112.6M445 V500 D503 K530 F531 R537 A538 S539M445-K535 HydrophobicContact SD-CB 4.32Å; M445-K535 HydrophobicContact SD-CG 4.42Å; V500-K535 HydrophobicContact CG2-CG 3.81Å; D503-K535 IonicContact OD1-NZ 3.39Å; D503-K535 WeakPolarHBondContact OD2-CE 3.45Å; D503-K535 IonicContact OD2-NZ 2.95Å; D503-K535 PolarHBondContact OD2-NZ 3.14Å; K530-K535 PolarHBondContact O-N 3.34Å; K530-K535 VanDerWaalsContact O-N 3.17Å; F531-K535 HydrophobicContact CD2-CB 4.44Å; F531-K535 HydrophobicContact CD2-CD 3.7Å; F531-K535 HydrophobicContact CE2-CD 3.89Å; F531-K535 CarbonylContact O-C 3.47Å; F531-K535 WeakPolarHBondContact O-CA 3.46Å; F531-K535 VanDerWaalsContact O-CB 3.3Å; F531-K535 WeakPolarHBondContact O-CB 3.5Å; F531-K535 PolarHBondContact O-N 2.91Å; F531-K535 VanDerWaalsContact O-N 3.14Å; K535-R537 VanDerWaalsContact C-N 3.28Å; K535-R537 PolarHBondContact O-N 3.34Å; K535-A538 PolarHBondContact O-N 2.89Å; K535-S539 WeakPolarHBondContact O-CB 3.46Å; K535-S539 PolarHBondContact O-N 2.93Å; K535-S539 PolarHBondContact O-OG 3.11Å
536C94.8Very high94.6Very high1 Ų121.1 Ų21.11%0.00713%0.133CC..Hα-helixtrans-61.5-37.4175.5-76.40000111.6F531 A532 S539 G540 L541 F663 F665F531-C536 WeakPolarHBondContact CE1-SG 3.47Å; F531-C536 PolarHBondContact O-N 3.47Å; A532-C536 VanDerWaalsContact O-CB 3.31Å; A532-C536 WeakPolarHBondContact O-CB 3.48Å; C536-S539 WeakPolarHBondContact CA-OG 3.47Å; C536-S539 PolarHBondContact O-OG 2.98Å; C536-G540 WeakPolarHBondContact O-CA 3.46Å; C536-G540 PolarHBondContact O-N 3.46Å; C536-L541 WeakPolarHBondContact CA-O 3.46Å; C536-L541 WeakPolarHBondContact CB-O 3.39Å; C536-L541 PolarHBondContact O-N 3.33Å; C536-L541 PolarHBondContact SG-O 2.96Å; C536-F663 HydrophobicContact CB-CE1 4.04Å; C536-F663 HydrophobicContact CB-CZ 3.85Å; C536-F665 HydrophobicContact CB-CE1 4.16Å
537R92.6Very high94.8Very high77 Ų7720.8 Ų20.829%0.29113%0.132SC..Hα-helixtrans-64.3-43.3174.8-171.7-177.7-61-103.1-3.9112.8D533 I534 K535 F665 C667D533-R537 WeakPolarHBondContact O-CB 3.47Å; D533-R537 PolarHBondContact O-NE 3.41Å; D533-R537 IonicContact OD1-NH2 3.93Å; I534-R537 PolarHBondContact O-N 2.97Å; K535-R537 VanDerWaalsContact C-N 3.28Å; K535-R537 PolarHBondContact O-N 3.34Å; R537-F665 HydrophobicContact CB-CE1 3.83Å; R537-F665 HydrophobicContact CB-CZ 3.89Å; R537-F665 HydrophobicContact CG-CZ 4.29Å; R537-C667 PolarHBondContact NH2-O 2.95Å
538A92.4Very high95Very high29 Ų2920.4 Ų20.424%0.2413%0.128CC..Hα-helixtrans-73.7-35.6-179.700000113.3M445 I534 K535M445-A538 HydrophobicContact CE-CB 3.22Å; I534-A538 WeakPolarHBondContact O-CB 3.4Å; I534-A538 PolarHBondContact O-N 2.94Å; K535-A538 PolarHBondContact O-N 2.89Å
539S92.9Very high95.1Very high18 Ų1820.4 Ų20.413%0.12613%0.128CC..Hα-helixtrans-85.9-22.7-178.759.20000114K535 C536 L541K535-S539 WeakPolarHBondContact O-CB 3.46Å; K535-S539 PolarHBondContact O-N 2.93Å; K535-S539 PolarHBondContact O-OG 3.11Å; C536-S539 WeakPolarHBondContact CA-OG 3.47Å; C536-S539 PolarHBondContact O-OG 2.98Å; S539-L541 PolarHBondContact O-N 3.44Å; S539-L541 WeakPolarHBondContact OG-CB 3.24Å; S539-L541 PolarHBondContact OG-N 2.89Å
540G92.8Very high95.2Very high71 Ų7120.3 Ų20.373%0.73213%0.127SC*.  trans74.49.1-169.300000114.1C536C536-G540 WeakPolarHBondContact O-CA 3.46Å; C536-G540 PolarHBondContact O-N 3.46Å
541L93.4Very high95.3Very high15 Ų1517.9 Ų17.98%0.07912%0.117CC..  trans-87.1149.9179.7-62.9176.4000111.9Y264 D503 L504 L507 C536 S539Y264-L541 HydrophobicContact CD1-CB 4.03Å; Y264-L541 HydrophobicContact CD1-CD1 4.39Å; Y264-L541 HydrophobicContact CE1-CB 3.83Å; Y264-L541 HydrophobicContact CE1-CD1 3.92Å; D503-L541 HydrophobicContact CB-CD1 4.19Å; L504-L541 HydrophobicContact CD2-CD1 4.11Å; L504-L541 HydrophobicContact CD2-CD2 3.95Å; L504-L541 HydrophobicContact CD2-CG 4.11Å; L504-L541 HydrophobicContact CG-CD1 4.42Å; L507-L541 HydrophobicContact CD1-CD1 3.65Å; L507-L541 HydrophobicContact CD1-CD2 3.58Å; L507-L541 HydrophobicContact CD1-CG 4.24Å; C536-L541 WeakPolarHBondContact CA-O 3.46Å; C536-L541 WeakPolarHBondContact CB-O 3.39Å; C536-L541 PolarHBondContact O-N 3.33Å; C536-L541 PolarHBondContact SG-O 2.96Å; S539-L541 PolarHBondContact O-N 3.44Å; S539-L541 WeakPolarHBondContact OG-CB 3.24Å; S539-L541 PolarHBondContact OG-N 2.89Å
542A93.6Very high95.2Very high47 Ų4717.5 Ų17.539%0.38812%0.115SC..  trans-124.1132.4169.800000109F663A542-F663 HydrophobicContact CB-CB 3.79Å; A542-F663 HydrophobicContact CB-CD1 3.59Å; A542-F663 HydrophobicContact CB-CE1 4.4Å; A542-F663 HydrophobicContact CB-CG 3.8Å
543P94.9Very high95.1Very high5 Ų519.3 Ų19.33%0.03213%0.13CC..  trans-73.3136.1175.132.6-36.4000110.6Y264 F531 I600Y264-P543 HydrophobicContact CD1-CB 4.39Å; Y264-P543 CarbonylContact O-C 3.57Å; Y264-P543 VanDerWaalsContact O-CA 3.3Å; Y264-P543 WeakPolarHBondContact O-CA 3.18Å; F531-P543 HydrophobicContact CE1-CB 4.25Å; F531-P543 HydrophobicContact CE1-CG 4.06Å; P543-I600 HydrophobicContact CG-CD1 3.37Å; P543-I600 HydrophobicContact CG-CG1 4.1Å
544D95.1Very high95Very high31 Ų3119 Ų1917%0.16613%0.128CC..SBendtrans-75.8-32.4174.6-66-98.7000111.8K263 Y264 C656 S659K263-D544 WeakPolarHBondContact CA-OD2 3.4Å; K263-D544 HydrophobicContact CD-CB 4.25Å; K263-D544 VanDerWaalsContact CD-OD1 3.26Å; K263-D544 WeakPolarHBondContact CD-OD1 3.45Å; K263-D544 IonicContact NZ-OD1 3.13Å; K263-D544 PolarHBondContact NZ-OD1 3.22Å; Y264-D544 PolarHBondContact N-OD2 3.34Å; Y264-D544 PolarHBondContact O-N 3.26Å; D544-C656 HydrophobicContact CB-CB 4.04Å; D544-S659 WeakPolarHBondContact O-CB 3.28Å; D544-S659 PolarHBondContact O-OG 2.95Å
545A96Very high95.1Very high0 Ų017.1 Ų17.10%012%0.118CC..EExtended strand (participates in β ladder)trans-152.3156.8178.200000112.3V265 L266 A655V265-A545 WeakPolarHBondContact CA-O 3.34Å; L266-A545 PolarHBondContact N-O 3.44Å; A545-A655 HydrophobicContact CB-CB 4.11Å
546V97.5Very high95Very high0 Ų017.2 Ų17.20%012%0.119CC..EExtended strand (participates in β ladder)trans-122.1129173.9173.80000110.1L266 T268 F528 V595 I600 A601 A602 V603L266-V546 HydrophobicContact CB-CG2 4.3Å; L266-V546 HydrophobicContact CD2-CG2 4.38Å; L266-V546 CarbonylContact O-C 3.12Å; L266-V546 VanDerWaalsContact O-CA 3.28Å; L266-V546 WeakPolarHBondContact O-CA 3.48Å; T268-V546 HydrophobicContact CG2-CG1 3.57Å; F528-V546 HydrophobicContact CD2-CG2 4.2Å; F528-V546 HydrophobicContact CE2-CG2 3.65Å; F528-V546 HydrophobicContact CZ-CG2 4.45Å; V546-V595 HydrophobicContact CB-CG1 3.79Å; V546-V595 HydrophobicContact CG1-CG1 4.14Å; V546-V595 HydrophobicContact CG1-CG2 3.96Å; V546-V595 HydrophobicContact CG2-CG1 3.91Å; V546-I600 HydrophobicContact CB-CG2 4.41Å; V546-I600 HydrophobicContact CG2-CB 4.45Å; V546-I600 HydrophobicContact CG2-CD1 4.35Å; V546-I600 HydrophobicContact CG2-CG2 3.78Å; V546-A601 PolarHBondContact N-O 3.09Å; V546-A602 CarbonylContact O-C 3.54Å; V546-A602 WeakPolarHBondContact O-CA 3.34Å; V546-V603 PolarHBondContact O-N 3.23Å
547V98.5Very high94.9Very high0 Ų021.8 Ų21.80%014%0.136CC..EExtended strand (participates in β ladder)trans-96.7117.2170.8-1800000109.4V265 L266 V267 T268 V282 L286 V549 V603 A605 L648 V652V265-V547 HydrophobicContact CG1-CG2 4.07Å; L266-V547 PolarHBondContact O-N 3.45Å; V267-V547 WeakPolarHBondContact CA-O 3.4Å; V267-V547 HydrophobicContact CG1-CB 4.49Å; V267-V547 HydrophobicContact CG2-CB 4.2Å; T268-V547 PolarHBondContact N-O 2.96Å; V282-V547 HydrophobicContact CG1-CG1 4.4Å; L286-V547 HydrophobicContact CD2-CG2 3.96Å; V547-V549 HydrophobicContact CG1-CG2 4.42Å; V547-V603 CarbonylContact C-O 3.42Å; V547-V603 VanDerWaalsContact CA-O 3.28Å; V547-V603 WeakPolarHBondContact CA-O 3.32Å; V547-A605 HydrophobicContact CG1-CB 3.64Å; V547-L648 HydrophobicContact CG1-CD1 4.17Å; V547-L648 HydrophobicContact CG1-CD2 4.33Å; V547-L648 HydrophobicContact CG2-CD1 4.47Å; V547-V652 HydrophobicContact CG2-CG2 3.59Å
548L98.4Very high95Very high0 Ų018.4 Ų18.40%012%0.124CC..EExtended strand (participates in β ladder)trans-97.3106177.1-177.969.8000110T268 S269 V524 V550 M588 H591 I592 V603 V604 A605T268-L548 HydrophobicContact CG2-CD1 4.13Å; S269-L548 WeakPolarHBondContact O-CD1 3.15Å; V524-L548 HydrophobicContact CG2-CD1 3.59Å; L548-V550 HydrophobicContact CG-CG1 4.44Å; L548-M588 HydrophobicContact CD2-CG 4Å; L548-H591 HydrophobicContact CD1-CB 4.08Å; L548-H591 HydrophobicContact CD2-CB 4.04Å; L548-I592 HydrophobicContact CD2-CG1 3.73Å; L548-V603 PolarHBondContact N-O 3.41Å; L548-V604 HydrophobicContact CB-CG2 4.45Å; L548-V604 HydrophobicContact CD2-CG2 4.31Å; L548-V604 WeakPolarHBondContact O-CA 3.26Å; L548-A605 PolarHBondContact O-N 3.26Å
549V98.3Very high95.1Very high0 Ų017.2 Ų17.20%011%0.114CC..EExtended strand (participates in β ladder)trans-82133.1179.4-169.80000111.3V267 T268 S269 M270 I277 K279 V282 V547 A605 N607V267-V549 HydrophobicContact CG1-CG2 3.63Å; T268-V549 WeakPolarHBondContact O-CG2 3.33Å; T268-V549 PolarHBondContact O-N 3.46Å; S269-V549 VanDerWaalsContact CA-O 3.32Å; S269-V549 WeakPolarHBondContact CA-O 3.26Å; S269-V549 WeakPolarHBondContact CB-O 3.44Å; M270-V549 PolarHBondContact N-O 2.85Å; I277-V549 HydrophobicContact CG2-CB 3.85Å; I277-V549 HydrophobicContact CG2-CG1 3.53Å; K279-V549 HydrophobicContact CG-CB 4.4Å; V282-V549 HydrophobicContact CB-CG1 4.42Å; V282-V549 HydrophobicContact CB-CG2 3.86Å; V282-V549 HydrophobicContact CG1-CG2 3.89Å; V282-V549 HydrophobicContact CG2-CG1 3.79Å; V282-V549 HydrophobicContact CG2-CG2 4.12Å; V547-V549 HydrophobicContact CG1-CG2 4.42Å; V549-A605 WeakPolarHBondContact CA-O 3.24Å; V549-A605 HydrophobicContact CG2-CB 4.42Å; V549-N607 HydrophobicContact CG1-CB 4.03Å
550V97.8Very high95Very high0 Ų016.9 Ų16.90%011%0.114CC..EExtended strand (participates in β ladder)trans-136.1158.3176.3-57.50000110.9M270 L548 L555 M588 V604 A605 I606 N607 V620M270-V550 HydrophobicContact CB-CG1 4.09Å; M270-V550 HydrophobicContact CG-CB 4.49Å; M270-V550 HydrophobicContact CG-CG1 4.02Å; M270-V550 HydrophobicContact SD-CB 3.86Å; M270-V550 HydrophobicContact SD-CG1 3.79Å; L548-V550 HydrophobicContact CG-CG1 4.44Å; V550-L555 HydrophobicContact CB-CD1 4.41Å; V550-L555 HydrophobicContact CG2-CD1 4.37Å; V550-M588 HydrophobicContact CG1-CB 4.37Å; V550-M588 HydrophobicContact CG1-CG 3.91Å; V550-M588 HydrophobicContact CG1-SD 3.88Å; V550-M588 HydrophobicContact CG2-SD 4.14Å; V550-V604 HydrophobicContact CG1-CG1 4.41Å; V550-V604 HydrophobicContact CG2-CG1 3.75Å; V550-A605 PolarHBondContact N-O 2.86Å; V550-I606 HydrophobicContact CG2-CB 4.25Å; V550-I606 HydrophobicContact CG2-CG1 3.86Å; V550-I606 HydrophobicContact CG2-CG2 4.37Å; V550-I606 WeakPolarHBondContact O-CA 3.41Å; V550-N607 PolarHBondContact O-N 3.23Å; V550-V620 HydrophobicContact CG2-CG1 4.17Å
551T96.4Very high94.2Very high0 Ų017 Ų170%010%0.103CC..  trans-133.4153.5172.763.90000109.8G276 I277 A553 A554 L555 N607 F609G276-T551 PolarHBondContact O-OG1 3.21Å; I277-T551 HydrophobicContact CG2-CG2 4.48Å; I277-T551 WeakPolarHBondContact O-CG2 3.28Å; T551-A553 VanDerWaalsContact C-N 3.26Å; T551-A553 PolarHBondContact O-N 3.06Å; T551-A554 PolarHBondContact O-N 3.21Å; T551-A554 WeakPolarHBondContact OG1-CB 3.14Å; T551-A554 PolarHBondContact OG1-N 2.82Å; T551-A554 VanDerWaalsContact OG1-N 3.13Å; T551-L555 VanDerWaalsContact O-CG 3.32Å; T551-L555 WeakPolarHBondContact O-CG 3.29Å; T551-L555 PolarHBondContact O-N 2.85Å; T551-N607 HydrophobicContact CG2-CB 4.04Å; T551-F609 HydrophobicContact CG2-CD2 4.39Å; T551-F609 HydrophobicContact CG2-CE2 3.65Å
552I94.8Very high93.2Very high1 Ų118.4 Ų18.41%0.00511%0.112CC..Hα-helixtrans-58.7-41.1175.9-66.2-58.9000111.1L555 K556 I581 N612 E616 L617 V620I552-L555 PolarHBondContact O-N 2.91Å; I552-K556 HydrophobicContact CG2-CD 4.06Å; I552-K556 HydrophobicContact CG2-CG 4.43Å; I552-K556 WeakPolarHBondContact O-CG 3.2Å; I552-K556 PolarHBondContact O-N 3.38Å; I552-I581 HydrophobicContact CD1-CD1 4.41Å; I552-I581 HydrophobicContact CG2-CD1 4.05Å; I552-I581 HydrophobicContact CG2-CG1 4.39Å; I552-N612 HydrophobicContact CG1-CB 4.21Å; I552-E616 HydrophobicContact CD1-CB 4.06Å; I552-L617 HydrophobicContact CD1-CD2 4.09Å; I552-L617 HydrophobicContact CG1-CD2 3.86Å; I552-V620 HydrophobicContact CD1-CG2 3.65Å
553A91.9Very high92.2Very high37 Ų3721.8 Ų21.831%0.30612%0.12SC..Hα-helixtrans-62.8-47.1178.700000112E275 T551 L555 K556 R557E275-A553 HydrophobicContact CB-CB 3.92Å; E275-A553 HydrophobicContact CG-CB 4.17Å; T551-A553 VanDerWaalsContact C-N 3.26Å; T551-A553 PolarHBondContact O-N 3.06Å; A553-L555 VanDerWaalsContact C-N 3.34Å; A553-L555 PolarHBondContact O-N 2.77Å; A553-K556 PolarHBondContact O-N 3.29Å; A553-R557 WeakPolarHBondContact O-CB 3.37Å; A553-R557 PolarHBondContact O-N 3.36Å
554A93.8Very high90.6Very high0 Ų022.2 Ų22.20%013%0.125CC..Hα-helixtrans-64.1-38.5177.800000112.1M270 T273 I277 T551 R557 Q558M270-A554 HydrophobicContact CE-CB 4.24Å; M270-A554 HydrophobicContact SD-CB 3.82Å; T273-A554 HydrophobicContact CG2-CB 3.86Å; T273-A554 WeakPolarHBondContact OG1-CA 3.44Å; T273-A554 WeakPolarHBondContact OG1-CB 3.31Å; I277-A554 HydrophobicContact CG1-CB 4.27Å; T551-A554 PolarHBondContact O-N 3.21Å; T551-A554 WeakPolarHBondContact OG1-CB 3.14Å; T551-A554 PolarHBondContact OG1-N 2.82Å; T551-A554 VanDerWaalsContact OG1-N 3.13Å; A554-R557 PolarHBondContact O-N 3.25Å; A554-Q558 WeakPolarHBondContact O-CG 3.24Å; A554-Q558 PolarHBondContact O-N 3.15Å
555L95.9Very high89.1Confident0 Ų026.6 Ų26.60%017%0.166CC..Hα-helixtrans-65.3-46.2175.2-70.7167.3000111.4M270 V550 T551 I552 A553 R557 Q558 G559 G584 M588 V620M270-L555 HydrophobicContact CE-CD2 3.84Å; M270-L555 HydrophobicContact CE-CG 4.33Å; M270-L555 HydrophobicContact SD-CD2 3.89Å; M270-L555 HydrophobicContact SD-CG 4.04Å; V550-L555 HydrophobicContact CB-CD1 4.41Å; V550-L555 HydrophobicContact CG2-CD1 4.37Å; T551-L555 VanDerWaalsContact O-CG 3.32Å; T551-L555 WeakPolarHBondContact O-CG 3.29Å; T551-L555 PolarHBondContact O-N 2.85Å; I552-L555 PolarHBondContact O-N 2.91Å; A553-L555 VanDerWaalsContact C-N 3.34Å; A553-L555 PolarHBondContact O-N 2.77Å; L555-R557 VanDerWaalsContact C-N 3.29Å; L555-R557 PolarHBondContact O-N 3.5Å; L555-Q558 PolarHBondContact O-N 2.67Å; L555-G559 PolarHBondContact O-N 3.4Å; L555-G584 VanDerWaalsContact O-CA 3.24Å; L555-G584 WeakPolarHBondContact O-CA 3.5Å; L555-M588 HydrophobicContact CD2-CB 4.12Å; L555-V620 HydrophobicContact CD1-CB 4.25Å; L555-V620 HydrophobicContact CD1-CG1 3.67Å; L555-V620 HydrophobicContact CD1-CG2 3.46Å; L555-V620 VanDerWaalsContact CD1-CG2 3.46Å
556K94.1Very high87.8Confident29 Ų2932.6 Ų32.613%0.12620%0.198CC..Hα-helixtrans-56.9-44.8174.8-73.1175.8-174.9-1790111.2I552 A553 G559 G560 V562 S577 L580 I581 E616I552-K556 HydrophobicContact CG2-CD 4.06Å; I552-K556 HydrophobicContact CG2-CG 4.43Å; I552-K556 WeakPolarHBondContact O-CG 3.2Å; I552-K556 PolarHBondContact O-N 3.38Å; A553-K556 PolarHBondContact O-N 3.29Å; K556-G559 WeakPolarHBondContact O-CA 3.47Å; K556-G559 PolarHBondContact O-N 2.86Å; K556-G560 PolarHBondContact O-N 2.81Å; K556-V562 HydrophobicContact CB-CG1 3.9Å; K556-S577 WeakPolarHBondContact CE-OG 3.48Å; K556-S577 PolarHBondContact NZ-OG 3.33Å; K556-L580 HydrophobicContact CG-CB 4.44Å; K556-I581 HydrophobicContact CD-CG1 4.4Å; K556-I581 HydrophobicContact CG-CD1 4.43Å; K556-I581 HydrophobicContact CG-CG1 3.65Å; K556-E616 WeakPolarHBondContact CE-OE1 3.48Å; K556-E616 IonicContact NZ-OE1 3.87Å; K556-E616 PolarHBondContact NZ-OE1 3.18Å; K556-E616 IonicContact NZ-OE2 3.74Å; K556-E616 PolarHBondContact NZ-OE2 2.78Å
557R92.3Very high86.6Confident98 Ų9834.6 Ų34.637%0.3722%0.218SC..Hα-helixtrans-62.1-43.4176.9-177.263.4-177-169.22.4112.8T273 A553 A554 L555 G559 G560 V562 L729T273-R557 HydrophobicContact CG2-CB 4.24Å; T273-R557 HydrophobicContact CG2-CG 4.13Å; A553-R557 WeakPolarHBondContact O-CB 3.37Å; A553-R557 PolarHBondContact O-N 3.36Å; A554-R557 PolarHBondContact O-N 3.25Å; L555-R557 VanDerWaalsContact C-N 3.29Å; L555-R557 PolarHBondContact O-N 3.5Å; R557-G559 PolarHBondContact O-N 3.42Å; R557-G560 PolarHBondContact O-N 2.76Å; R557-G560 VanDerWaalsContact O-O 3.08Å; R557-V562 HydrophobicContact CB-CG1 4.44Å; R557-L729 WeakPolarHBondContact O-CD1 3.43Å
558Q94.8Very high85.5Confident6 Ų637.1 Ų37.13%0.02824%0.236CC..Hα-helixtrans-70.6-20.2174.7-69.9-61.9-21.800112.7M270 T273 A554 L555 N587 G730M270-Q558 HydrophobicContact CE-CB 4.12Å; M270-Q558 HydrophobicContact CE-CG 3.53Å; T273-Q558 HydrophobicContact CG2-CG 4.24Å; A554-Q558 WeakPolarHBondContact O-CG 3.24Å; A554-Q558 PolarHBondContact O-N 3.15Å; L555-Q558 PolarHBondContact O-N 2.67Å; Q558-N587 HydrophobicContact CB-CB 4.1Å; Q558-N587 HydrophobicContact CG-CB 4.19Å; Q558-G730 PolarHBondContact O-N 3.2Å
559G94Very high84.5Confident3 Ų342 Ų423%0.03127%0.267CS..Hα-helixtrans-72.2-30.1173.100000113.7L555 K556 R557 L580 R583L555-G559 PolarHBondContact O-N 3.4Å; K556-G559 WeakPolarHBondContact O-CA 3.47Å; K556-G559 PolarHBondContact O-N 2.86Å; R557-G559 PolarHBondContact O-N 3.42Å; G559-L580 WeakPolarHBondContact CA-O 3.23Å; G559-R583 PolarHBondContact O-NE 3.36Å; G559-R583 PolarHBondContact O-NH2 3.44Å
560G90Very high83.6Confident12 Ų1243 Ų4312%0.12427%0.273CS..SBendtrans153.7-149.6-179.500000113.3K556 R557K556-G560 PolarHBondContact O-N 2.81Å; R557-G560 PolarHBondContact O-N 2.76Å; R557-G560 VanDerWaalsContact O-O 3.08Å
561S77.4Confident82.8Confident74 Ų7449.8 Ų49.852%0.51730%0.304SS..  trans-65.5134.1171.8-174.30000110.1E563 L580S561-E563 VanDerWaalsContact C-N 3.34Å; S561-E563 PolarHBondContact OG-N 3.45Å; S561-E563 PolarHBondContact OG-O 2.74Å; S561-L580 VanDerWaalsContact O-CD1 3.31Å; S561-L580 WeakPolarHBondContact O-CD1 3.37Å
562V71.3Confident82.2Confident44 Ų4452.8 Ų52.827%0.26732%0.324SS..SBendtrans-92.2-2.5173.3-63.80000112.5K556 R557 I570K556-V562 HydrophobicContact CB-CG1 3.9Å; R557-V562 HydrophobicContact CB-CG1 4.44Å; V562-I570 PolarHBondContact O-N 3.41Å
563E72.9Confident81.6Confident118 Ų11854 Ų5455%0.55134%0.336SS*.BIsolated β-bridgetrans-99.1134.3171.1-64.7171.9-175.300108.6S561 S568S561-E563 VanDerWaalsContact C-N 3.34Å; S561-E563 PolarHBondContact OG-N 3.45Å; S561-E563 PolarHBondContact OG-O 2.74Å; E563-S568 WeakPolarHBondContact CA-O 3.26Å
564G60.9Low81.4Confident13 Ų1354 Ų5413%0.13433%0.334CS..  trans-65.3174.5171.400000111.8D566 G567 S568G564-D566 PolarHBondContact O-N 3.06Å; G564-G567 PolarHBondContact O-N 3.08Å; G564-S568 PolarHBondContact N-O 2.76Å
565A63.7Low81.2Confident123 Ų12363 Ų63100%1.01737%0.374SS*.THydrogen-bonded Turntrans-59-22.1-175.800000114.4
566D69.5Low80.9Confident127 Ų12768.1 Ų68.168%0.67940%0.397SS*.THydrogen-bonded Turntrans-97.23.117864.5-10000113.7G564 S568G564-D566 PolarHBondContact O-N 3.06Å; D566-S568 VanDerWaalsContact C-N 3.31Å; D566-S568 WeakPolarHBondContact OD1-CB 3.45Å; D566-S568 PolarHBondContact OD1-N 2.72Å; D566-S568 PolarHBondContact OD1-OG 3.46Å; D566-S568 PolarHBondContact OD2-OG 3.47Å
567G72.9Confident80.7Confident42 Ų4266.7 Ų66.743%0.43339%0.391SS..SBendtrans83.30.8-174.600000114.4G564G564-G567 PolarHBondContact O-N 3.08Å
568S73.9Confident80.7Confident52 Ų5264.2 Ų64.236%0.36439%0.385SS..PPolyproline II helixtrans-75147.4177.768.50000111.8E563 G564 D566 I570E563-S568 WeakPolarHBondContact CA-O 3.26Å; G564-S568 PolarHBondContact N-O 2.76Å; D566-S568 VanDerWaalsContact C-N 3.31Å; D566-S568 WeakPolarHBondContact OD1-CB 3.45Å; D566-S568 PolarHBondContact OD1-N 2.72Å; D566-S568 PolarHBondContact OD1-OG 3.46Å; D566-S568 PolarHBondContact OD2-OG 3.47Å; S568-I570 PolarHBondContact O-N 2.77Å
569P77.3Confident80.7Confident102 Ų10266.6 Ų66.666%0.66240%0.402SS*.BIsolated β-bridgetrans-61.9133.1173.8-22.433.2000111.5Q571P569-Q571 PolarHBondContact O-N 2.92Å
570I79.2Confident80.7Confident23 Ų2367 Ų6712%0.11840%0.404CS..PPolyproline II helixtrans-65.9124.3177.8-65.7169.7000109.9V562 S568 E576 L580V562-I570 PolarHBondContact O-N 3.41Å; S568-I570 PolarHBondContact O-N 2.77Å; I570-E576 HydrophobicContact CD1-CG 4.09Å; I570-E576 HydrophobicContact CG2-CB 4.25Å; I570-E576 HydrophobicContact CG2-CG 4.27Å; I570-L580 HydrophobicContact CD1-CD1 3.29Å
571Q82.1Confident81Confident141 Ų14166.5 Ų66.566%0.65940%0.398SS*.PPolyproline II helixtrans-62128.3-178-69.4-65-28.600111.4P569 S574 S577P569-Q571 PolarHBondContact O-N 2.92Å; Q571-S574 VanDerWaalsContact O-CB 3.27Å; Q571-S574 WeakPolarHBondContact O-CB 3.34Å; Q571-S574 PolarHBondContact O-N 2.97Å; Q571-S574 PolarHBondContact O-OG 3.27Å; Q571-S577 WeakPolarHBondContact O-CB 3.32Å
572P82.9Confident81.9Confident63 Ų6367.1 Ų67.141%0.40939%0.393SS..THydrogen-bonded Turntrans-52.8140.3174.8-26.734.8000112.5S574 L613P572-S574 PolarHBondContact O-N 3Å; P572-S574 VanDerWaalsContact O-N 3.15Å; P572-L613 HydrophobicContact CB-CD1 3.93Å; P572-L613 HydrophobicContact CB-CG 4.28Å
573G82.4Confident83.1Confident26 Ų2671.7 Ų71.727%0.26841%0.405SS..THydrogen-bonded Turntrans74.2-7.5179.500000116.1E616G573-E616 PolarHBondContact N-OE1 3.35Å
574S87.7Confident84.2Confident38 Ų3866.1 Ų66.127%0.26638%0.379SS..SBendtrans-62.2158.4173.367.30000112.1Q571 P572 E576 S577 L578Q571-S574 VanDerWaalsContact O-CB 3.27Å; Q571-S574 WeakPolarHBondContact O-CB 3.34Å; Q571-S574 PolarHBondContact O-N 2.97Å; Q571-S574 PolarHBondContact O-OG 3.27Å; P572-S574 PolarHBondContact O-N 3Å; P572-S574 VanDerWaalsContact O-N 3.15Å; S574-E576 PolarHBondContact O-N 3.47Å; S574-S577 WeakPolarHBondContact O-CB 3.37Å; S574-S577 PolarHBondContact O-N 3.35Å; S574-S577 VanDerWaalsContact O-N 3.09Å; S574-S577 WeakPolarHBondContact OG-CB 3.33Å; S574-S577 PolarHBondContact OG-N 3.05Å; S574-S577 VanDerWaalsContact OG-N 3.13Å; S574-L578 WeakPolarHBondContact O-CG 3.42Å; S574-L578 PolarHBondContact O-N 3.38Å
575K89.3Confident85.9Confident190 Ų19065.5 Ų65.583%0.82637%0.373SS*.Hα-helixtrans-56.2-36.7176.5-173.3178.6179.4-178.90112.1S579K575-S579 WeakPolarHBondContact O-CB 3.15Å; K575-S579 PolarHBondContact O-N 3.14Å
576E89.8Confident87.6Confident106 Ų10663.8 Ų63.850%0.49535%0.347SS..Hα-helixtrans-67.5-46.6175.8-170.8174.3-168.200111.5I570 S574 L578 S579 L580I570-E576 HydrophobicContact CD1-CG 4.09Å; I570-E576 HydrophobicContact CG2-CB 4.25Å; I570-E576 HydrophobicContact CG2-CG 4.27Å; S574-E576 PolarHBondContact O-N 3.47Å; E576-L578 PolarHBondContact O-N 2.87Å; E576-S579 WeakPolarHBondContact O-CB 3.18Å; E576-S579 PolarHBondContact O-N 3.15Å; E576-S579 VanDerWaalsContact O-N 3.16Å; E576-L580 PolarHBondContact O-N 3.46Å
577S90.2Very high88.9Confident0 Ų057.8 Ų57.80%032%0.315CS..Hα-helixtrans-55.9-48.7175.1-170.90000112.3K556 Q571 S574 S579 L580 I581 E616K556-S577 WeakPolarHBondContact CE-OG 3.48Å; K556-S577 PolarHBondContact NZ-OG 3.33Å; Q571-S577 WeakPolarHBondContact O-CB 3.32Å; S574-S577 WeakPolarHBondContact O-CB 3.37Å; S574-S577 PolarHBondContact O-N 3.35Å; S574-S577 VanDerWaalsContact O-N 3.09Å; S574-S577 WeakPolarHBondContact OG-CB 3.33Å; S574-S577 PolarHBondContact OG-N 3.05Å; S574-S577 VanDerWaalsContact OG-N 3.13Å; S577-S579 VanDerWaalsContact C-N 3.32Å; S577-S579 PolarHBondContact O-N 3.34Å; S577-L580 PolarHBondContact O-N 3.42Å; S577-I581 WeakPolarHBondContact O-CG1 3.05Å; S577-I581 PolarHBondContact O-N 3.09Å; S577-E616 PolarHBondContact OG-OE1 3.17Å
578L93.1Very high90.1Very high45 Ų4555.8 Ų55.824%0.23629%0.294CS..Hα-helixtrans-64.5-37.3178.4-65.2175.5000111.8S574 E576 I581 Q582 E616 V619S574-L578 WeakPolarHBondContact O-CG 3.42Å; S574-L578 PolarHBondContact O-N 3.38Å; E576-L578 PolarHBondContact O-N 2.87Å; L578-I581 HydrophobicContact CD2-CD1 4.46Å; L578-I581 PolarHBondContact O-N 2.57Å; L578-Q582 WeakPolarHBondContact O-CB 3.38Å; L578-Q582 VanDerWaalsContact O-CG 3.26Å; L578-Q582 WeakPolarHBondContact O-CG 3.3Å; L578-Q582 PolarHBondContact O-N 2.5Å; L578-E616 HydrophobicContact CD2-CG 3.94Å; L578-V619 HydrophobicContact CD2-CG2 4.25Å
579S94.1Very high91.3Very high56 Ų5654.6 Ų54.639%0.39228%0.283SS..Hα-helixtrans-63.8-42.1175.2-173.50000112.1K575 E576 S577 Q582 R583K575-S579 WeakPolarHBondContact O-CB 3.15Å; K575-S579 PolarHBondContact O-N 3.14Å; E576-S579 WeakPolarHBondContact O-CB 3.18Å; E576-S579 PolarHBondContact O-N 3.15Å; E576-S579 VanDerWaalsContact O-N 3.16Å; S577-S579 VanDerWaalsContact C-N 3.32Å; S577-S579 PolarHBondContact O-N 3.34Å; S579-Q582 PolarHBondContact O-N 3.47Å; S579-R583 WeakPolarHBondContact O-CG 3.49Å; S579-R583 PolarHBondContact O-N 3.4Å
580L94.4Very high92.2Very high13 Ų1351.4 Ų51.47%0.06826%0.26CS..Hα-helixtrans-62.9-46.5175-72.9174.2000111.8K556 G559 S561 I570 E576 S577 Q582 R583 G584K556-L580 HydrophobicContact CG-CB 4.44Å; G559-L580 WeakPolarHBondContact CA-O 3.23Å; S561-L580 VanDerWaalsContact O-CD1 3.31Å; S561-L580 WeakPolarHBondContact O-CD1 3.37Å; I570-L580 HydrophobicContact CD1-CD1 3.29Å; E576-L580 PolarHBondContact O-N 3.46Å; S577-L580 PolarHBondContact O-N 3.42Å; L580-Q582 VanDerWaalsContact C-N 3.32Å; L580-Q582 PolarHBondContact O-N 3.19Å; L580-R583 PolarHBondContact O-N 3.03Å; L580-G584 PolarHBondContact O-N 3.37Å
581I95.9Very high93.2Very high0 Ų050.3 Ų50.30%025%0.254CS..Hα-helixtrans-57.2-47.4175.8-66.8163.9000110.3I552 K556 S577 L578 R583 G584 C585 E616 V619 V620I552-I581 HydrophobicContact CD1-CD1 4.41Å; I552-I581 HydrophobicContact CG2-CD1 4.05Å; I552-I581 HydrophobicContact CG2-CG1 4.39Å; K556-I581 HydrophobicContact CD-CG1 4.4Å; K556-I581 HydrophobicContact CG-CD1 4.43Å; K556-I581 HydrophobicContact CG-CG1 3.65Å; S577-I581 WeakPolarHBondContact O-CG1 3.05Å; S577-I581 PolarHBondContact O-N 3.09Å; L578-I581 HydrophobicContact CD2-CD1 4.46Å; L578-I581 PolarHBondContact O-N 2.57Å; I581-R583 PolarHBondContact O-N 3.48Å; I581-G584 PolarHBondContact O-N 3.36Å; I581-C585 PolarHBondContact O-N 3.26Å; I581-C585 PolarHBondContact O-SG 3.22Å; I581-E616 HydrophobicContact CD1-CB 3.67Å; I581-E616 HydrophobicContact CD1-CG 3.62Å; I581-V619 HydrophobicContact CG2-CG1 4.2Å; I581-V620 HydrophobicContact CG2-CG2 3.52Å
582Q96.2Very high93.9Very high87 Ų8743.6 Ų43.641%0.40722%0.223SC..Hα-helixtrans-61.5-40.7179.3-74.4176.9-000112.8L578 S579 L580 C585 V619L578-Q582 WeakPolarHBondContact O-CB 3.38Å; L578-Q582 VanDerWaalsContact O-CG 3.26Å; L578-Q582 WeakPolarHBondContact O-CG 3.3Å; L578-Q582 PolarHBondContact O-N 2.5Å; S579-Q582 PolarHBondContact O-N 3.47Å; L580-Q582 VanDerWaalsContact C-N 3.32Å; L580-Q582 PolarHBondContact O-N 3.19Å; Q582-C585 WeakPolarHBondContact O-CB 3.21Å; Q582-C585 PolarHBondContact O-N 3.47Å; Q582-V619 HydrophobicContact CG-CG1 3.73Å
583R96Very high94.6Very high141 Ų14146.5 Ų46.553%0.53223%0.229SC..Hα-helixtrans-66.9-42.4174.5-73.5170.556.7178.3-3.1111.6G559 S579 L580 I581 C585 N586G559-R583 PolarHBondContact O-NE 3.36Å; G559-R583 PolarHBondContact O-NH2 3.44Å; S579-R583 WeakPolarHBondContact O-CG 3.49Å; S579-R583 PolarHBondContact O-N 3.4Å; L580-R583 PolarHBondContact O-N 3.03Å; I581-R583 PolarHBondContact O-N 3.48Å; R583-C585 VanDerWaalsContact C-N 3.27Å; R583-C585 PolarHBondContact O-N 3.06Å; R583-N586 VanDerWaalsContact O-CB 3.23Å; R583-N586 WeakPolarHBondContact O-CB 3.47Å; R583-N586 PolarHBondContact O-N 3.04Å; R583-N586 VanDerWaalsContact O-N 3.07Å; R583-N586 PolarHBondContact O-ND2 3.07Å
584G96.7Very high95.3Very high0 Ų045.3 Ų45.30%022%0.216CC..Hα-helixtrans-63-31.9176.500000113.5L555 L580 I581 N586 N587L555-G584 VanDerWaalsContact O-CA 3.24Å; L555-G584 WeakPolarHBondContact O-CA 3.5Å; L580-G584 PolarHBondContact O-N 3.37Å; I581-G584 PolarHBondContact O-N 3.36Å; G584-N586 PolarHBondContact O-N 3.44Å; G584-N586 VanDerWaalsContact O-N 3.09Å; G584-N587 VanDerWaalsContact O-CB 3.31Å; G584-N587 WeakPolarHBondContact O-CB 3.35Å; G584-N587 PolarHBondContact O-N 3.49Å
585C97.9Very high95.7Very high0 Ų043.5 Ų43.50%020%0.203CC..Hα-helixtrans-57.6-23.3173-710000112.3I581 Q582 R583 N587 M588 I589 K623I581-C585 PolarHBondContact O-N 3.26Å; I581-C585 PolarHBondContact O-SG 3.22Å; Q582-C585 WeakPolarHBondContact O-CB 3.21Å; Q582-C585 PolarHBondContact O-N 3.47Å; R583-C585 VanDerWaalsContact C-N 3.27Å; R583-C585 PolarHBondContact O-N 3.06Å; C585-N587 PolarHBondContact O-N 2.86Å; C585-M588 HydrophobicContact CB-CE 4.07Å; C585-M588 PolarHBondContact O-N 3.18Å; C585-M588 VanDerWaalsContact O-N 3.17Å; C585-I589 HydrophobicContact CB-CD1 4.5Å; C585-I589 WeakPolarHBondContact O-CB 3.46Å; C585-I589 WeakPolarHBondContact O-CG1 3.3Å; C585-I589 PolarHBondContact O-N 3.19Å; C585-K623 HydrophobicContact CB-CB 3.91Å; C585-K623 HydrophobicContact CB-CG 4.19Å
586N97.4Very high95.9Very high88 Ų8841.2 Ų41.247%0.47119%0.19SC..Hα-helixtrans-60.6-35173.4-66.2-23.6000112.2R583 G584 H590 A731R583-N586 VanDerWaalsContact O-CB 3.23Å; R583-N586 WeakPolarHBondContact O-CB 3.47Å; R583-N586 PolarHBondContact O-N 3.04Å; R583-N586 VanDerWaalsContact O-N 3.07Å; R583-N586 PolarHBondContact O-ND2 3.07Å; G584-N586 PolarHBondContact O-N 3.44Å; G584-N586 VanDerWaalsContact O-N 3.09Å; N586-H590 WeakPolarHBondContact O-CB 3.25Å; N586-H590 PolarHBondContact O-N 3.32Å; N586-A731 HydrophobicContact CB-CB 4.46Å
587N97.7Very high96.1Very high0 Ų040.4 Ų40.40%018%0.184CC..Hα-helixtrans-64.3-48.6172.7-175.8-91.7000111M270 T271 Q558 G584 C585 I589 H590 H591 I722 G730M270-N587 WeakPolarHBondContact CB-OD1 3.43Å; M270-N587 HydrophobicContact CE-CB 4.3Å; M270-N587 WeakPolarHBondContact CE-OD1 3.48Å; T271-N587 PolarHBondContact N-OD1 3.33Å; T271-N587 PolarHBondContact OG1-ND2 3.4Å; T271-N587 PolarHBondContact OG1-OD1 3.1Å; Q558-N587 HydrophobicContact CB-CB 4.1Å; Q558-N587 HydrophobicContact CG-CB 4.19Å; G584-N587 VanDerWaalsContact O-CB 3.31Å; G584-N587 WeakPolarHBondContact O-CB 3.35Å; G584-N587 PolarHBondContact O-N 3.49Å; C585-N587 PolarHBondContact O-N 2.86Å; N587-I589 PolarHBondContact O-N 2.97Å; N587-H590 WeakPolarHBondContact O-CB 3.47Å; N587-H590 PolarHBondContact O-N 3.15Å; N587-H591 PolarHBondContact O-CD2 3.3Å; N587-H591 PolarHBondContact O-N 2.63Å; N587-H591 VanDerWaalsContact O-N 3.1Å; N587-H591 PolarHBondContact OD1-CD2 3.2Å; N587-H591 PolarHBondContact OD1-NE2 3.07Å; N587-I722 WeakPolarHBondContact ND2-CD1 3.43Å; N587-G730 PolarHBondContact ND2-O 3.29Å
588M98.1Very high96.4Very high0 Ų040.4 Ų40.40%018%0.184CC..Hα-helixtrans-59.1-46.3176.8176.3-176.166.600112L548 V550 L555 C585 H590 H591 I592 V604 V620 K623 A624L548-M588 HydrophobicContact CD2-CG 4Å; V550-M588 HydrophobicContact CG1-CB 4.37Å; V550-M588 HydrophobicContact CG1-CG 3.91Å; V550-M588 HydrophobicContact CG1-SD 3.88Å; V550-M588 HydrophobicContact CG2-SD 4.14Å; L555-M588 HydrophobicContact CD2-CB 4.12Å; C585-M588 HydrophobicContact CB-CE 4.07Å; C585-M588 PolarHBondContact O-N 3.18Å; C585-M588 VanDerWaalsContact O-N 3.17Å; M588-H590 VanDerWaalsContact C-N 3.32Å; M588-H590 PolarHBondContact O-N 3.2Å; M588-H591 PolarHBondContact O-N 3Å; M588-I592 HydrophobicContact CG-CD1 4Å; M588-I592 WeakPolarHBondContact O-CG1 3.15Å; M588-I592 PolarHBondContact O-N 3.3Å; M588-V604 HydrophobicContact SD-CG1 3.8Å; M588-V604 HydrophobicContact SD-CG2 4.37Å; M588-V620 HydrophobicContact CE-CG1 4.03Å; M588-V620 HydrophobicContact SD-CG1 3.96Å; M588-K623 HydrophobicContact CE-CB 4.37Å; M588-A624 HydrophobicContact CE-CB 3.72Å; M588-A624 HydrophobicContact SD-CB 4.11Å
589I98.4Very high96.4Very high28 Ų2840 Ų4014%0.14419%0.192CC..Hα-helixtrans-61.9-40.5178.6-67.3168.8000110.8C585 N587 H591 I592 K593C585-I589 HydrophobicContact CB-CD1 4.5Å; C585-I589 WeakPolarHBondContact O-CB 3.46Å; C585-I589 WeakPolarHBondContact O-CG1 3.3Å; C585-I589 PolarHBondContact O-N 3.19Å; N587-I589 PolarHBondContact O-N 2.97Å; I589-H591 VanDerWaalsContact C-N 3.34Å; I589-H591 PolarHBondContact O-N 2.87Å; I589-I592 PolarHBondContact O-N 3.43Å; I589-K593 HydrophobicContact CG2-CD 4.42Å; I589-K593 WeakPolarHBondContact O-CG 3.26Å; I589-K593 PolarHBondContact O-N 3.43Å
590H97.9Very high96.4Very high35 Ų3537.7 Ų37.716%0.16218%0.175CC..Hα-helixtrans-58.9-45.8173.9-177.586.9000111.7N586 N587 M588 K593 C594 I684 I722 A731N586-H590 WeakPolarHBondContact O-CB 3.25Å; N586-H590 PolarHBondContact O-N 3.32Å; N587-H590 WeakPolarHBondContact O-CB 3.47Å; N587-H590 PolarHBondContact O-N 3.15Å; M588-H590 VanDerWaalsContact C-N 3.32Å; M588-H590 PolarHBondContact O-N 3.2Å; H590-K593 WeakPolarHBondContact O-CB 3.13Å; H590-K593 PolarHBondContact O-N 2.97Å; H590-C594 PolarHBondContact NE2-SG 2.98Å; H590-C594 VanDerWaalsContact NE2-SG 3.45Å; H590-C594 PolarHBondContact O-N 3.34Å; H590-C594 PolarHBondContact O-SG 3.42Å; H590-I684 PolarHBondContact NE2-O 2.69Å; H590-I722 HydrophobicContact CB-CD1 4.2Å; H590-I722 VanDerWaalsContact CD2-CD1 3.45Å; H590-I722 WeakPolarHBondContact CD2-CD1 3.43Å; H590-A731 HydrophobicContact CB-CB 3.88Å
591H98.2Very high96.3Very high0 Ų038.1 Ų38.10%018%0.18CC..Hα-helixtrans-65.9-38.7177.3-69.7-50.9000113M270 T271 V524 D525 L548 N587 M588 I589 K593 C594 V595M270-H591 VanDerWaalsContact CA-CD2 3.5Å; M270-H591 WeakPolarHBondContact CA-CD2 3.27Å; T271-H591 PolarHBondContact N-NE2 3.17Å; T271-H591 VanDerWaalsContact N-NE2 3.18Å; T271-H591 PolarHBondContact OG1-NE2 2.95Å; V524-H591 HydrophobicContact CB-CB 3.89Å; V524-H591 WeakPolarHBondContact CB-ND1 3.38Å; V524-H591 HydrophobicContact CG1-CB 4.19Å; V524-H591 HydrophobicContact CG2-CB 4.08Å; D525-H591 IonicContact OD1-CE1 2.72Å; D525-H591 PolarHBondContact OD1-CE1 3.4Å; L548-H591 HydrophobicContact CD1-CB 4.08Å; L548-H591 HydrophobicContact CD2-CB 4.04Å; N587-H591 PolarHBondContact O-CD2 3.3Å; N587-H591 PolarHBondContact O-N 2.63Å; N587-H591 VanDerWaalsContact O-N 3.1Å; N587-H591 PolarHBondContact OD1-CD2 3.2Å; N587-H591 PolarHBondContact OD1-NE2 3.07Å; M588-H591 PolarHBondContact O-N 3Å; I589-H591 VanDerWaalsContact C-N 3.34Å; I589-H591 PolarHBondContact O-N 2.87Å; H591-K593 VanDerWaalsContact C-N 3.33Å; H591-K593 PolarHBondContact O-N 2.61Å; H591-C594 WeakPolarHBondContact O-CB 3.42Å; H591-C594 PolarHBondContact O-N 2.88Å; H591-V595 WeakPolarHBondContact O-CG2 3.46Å; H591-V595 PolarHBondContact O-N 3.33Å
592I98Very high96.4Very high0 Ų038.2 Ų38.20%018%0.181CC..Hα-helixtrans-57.2-47.6171.6-69.4162.4000110.3L548 M588 I589 C594 V595 R596 A602 V604 A624 A629L548-I592 HydrophobicContact CD2-CG1 3.73Å; M588-I592 HydrophobicContact CG-CD1 4Å; M588-I592 WeakPolarHBondContact O-CG1 3.15Å; M588-I592 PolarHBondContact O-N 3.3Å; I589-I592 PolarHBondContact O-N 3.43Å; I592-C594 VanDerWaalsContact C-N 3.33Å; I592-C594 PolarHBondContact O-N 3.45Å; I592-V595 PolarHBondContact O-N 2.91Å; I592-R596 WeakPolarHBondContact O-CG 3.13Å; I592-R596 PolarHBondContact O-N 3.4Å; I592-A602 HydrophobicContact CG2-CB 4.29Å; I592-V604 HydrophobicContact CD1-CG2 3.86Å; I592-V604 HydrophobicContact CG1-CG2 4.18Å; I592-A624 HydrophobicContact CD1-CB 4.43Å; I592-A629 HydrophobicContact CD1-CB 3.98Å
593K97.2Very high96.5Very high123 Ų12334 Ų3454%0.53516%0.161SC..Hα-helixtrans-61.6-41177.6-71.1173.4180179.10111.8I589 H590 H591 R596 K597I589-K593 HydrophobicContact CG2-CD 4.42Å; I589-K593 WeakPolarHBondContact O-CG 3.26Å; I589-K593 PolarHBondContact O-N 3.43Å; H590-K593 WeakPolarHBondContact O-CB 3.13Å; H590-K593 PolarHBondContact O-N 2.97Å; H591-K593 VanDerWaalsContact C-N 3.33Å; H591-K593 PolarHBondContact O-N 2.61Å; K593-R596 PolarHBondContact O-N 2.82Å; K593-K597 WeakPolarHBondContact O-CG 3.11Å; K593-K597 PolarHBondContact O-N 3.35Å; K593-K597 VanDerWaalsContact O-N 3.07Å
594C96.7Very high96.6Very high1 Ų127.3 Ų27.31%0.00714%0.136CC..Hα-helixtrans-60.3-47.2176-68.10000111.4V524 H590 H591 I592 R596 K597 F598 I684V524-C594 HydrophobicContact CG1-CB 3.57Å; H590-C594 PolarHBondContact NE2-SG 2.98Å; H590-C594 VanDerWaalsContact NE2-SG 3.45Å; H590-C594 PolarHBondContact O-N 3.34Å; H590-C594 PolarHBondContact O-SG 3.42Å; H591-C594 WeakPolarHBondContact O-CB 3.42Å; H591-C594 PolarHBondContact O-N 2.88Å; I592-C594 VanDerWaalsContact C-N 3.33Å; I592-C594 PolarHBondContact O-N 3.45Å; C594-R596 VanDerWaalsContact C-N 3.32Å; C594-R596 PolarHBondContact O-N 3.4Å; C594-K597 WeakPolarHBondContact O-CB 3.39Å; C594-K597 PolarHBondContact O-N 2.89Å; C594-F598 VanDerWaalsContact O-CD2 3.3Å; C594-F598 WeakPolarHBondContact O-CD2 3.29Å; C594-I684 HydrophobicContact CB-CD1 4.3Å
595V96Very high96.7Very high0 Ų027.3 Ų27.30%014%0.136CC..Hα-helixtrans-58.9-44.6176172.20000111.6V524 F528 V546 H591 I592 K597 F598 I600 A602V524-V595 HydrophobicContact CG1-CG2 4.06Å; V524-V595 HydrophobicContact CG2-CG2 3.87Å; F528-V595 HydrophobicContact CD1-CG2 4.15Å; F528-V595 HydrophobicContact CE1-CB 4.28Å; F528-V595 HydrophobicContact CE1-CG2 3.96Å; F528-V595 HydrophobicContact CE2-CG2 4.47Å; F528-V595 HydrophobicContact CG-CG2 4.43Å; F528-V595 HydrophobicContact CZ-CB 4.27Å; F528-V595 HydrophobicContact CZ-CG1 4.2Å; F528-V595 HydrophobicContact CZ-CG2 4.12Å; V546-V595 HydrophobicContact CB-CG1 3.79Å; V546-V595 HydrophobicContact CG1-CG1 4.14Å; V546-V595 HydrophobicContact CG1-CG2 3.96Å; V546-V595 HydrophobicContact CG2-CG1 3.91Å; H591-V595 WeakPolarHBondContact O-CG2 3.46Å; H591-V595 PolarHBondContact O-N 3.33Å; I592-V595 PolarHBondContact O-N 2.91Å; V595-K597 VanDerWaalsContact C-N 3.27Å; V595-K597 PolarHBondContact O-N 3.03Å; V595-F598 PolarHBondContact O-N 3.38Å; V595-F598 VanDerWaalsContact O-N 3.13Å; V595-I600 HydrophobicContact CG1-CB 4.23Å; V595-A602 HydrophobicContact CB-CB 4.12Å; V595-A602 HydrophobicContact CG1-CB 3.86Å
596R94.5Very high96.7Very high142 Ų14227.3 Ų27.354%0.53614%0.136SC..Hα-helixtrans-64.9-26.1179.8-70.8-177.971.2107.57.8113.9I592 K593 C594 F598 G599 G628I592-R596 WeakPolarHBondContact O-CG 3.13Å; I592-R596 PolarHBondContact O-N 3.4Å; K593-R596 PolarHBondContact O-N 2.82Å; C594-R596 VanDerWaalsContact C-N 3.32Å; C594-R596 PolarHBondContact O-N 3.4Å; R596-F598 PolarHBondContact O-N 2.71Å; R596-G599 PolarHBondContact O-N 2.9Å; R596-G628 WeakPolarHBondContact CD-O 3.38Å; R596-G628 PolarHBondContact NH1-O 3.12Å
597K94.3Very high96.7Very high89 Ų8923.4 Ų23.439%0.38712%0.115SC..Hα-helixtrans-61.1-27.7174.6-76.9172.9167-74.40112.7K593 C594 V595 G599 C664 E683K593-K597 WeakPolarHBondContact O-CG 3.11Å; K593-K597 PolarHBondContact O-N 3.35Å; K593-K597 VanDerWaalsContact O-N 3.07Å; C594-K597 WeakPolarHBondContact O-CB 3.39Å; C594-K597 PolarHBondContact O-N 2.89Å; V595-K597 VanDerWaalsContact C-N 3.27Å; V595-K597 PolarHBondContact O-N 3.03Å; K597-G599 VanDerWaalsContact C-N 3.26Å; K597-C664 PolarHBondContact O-SG 2.99Å; K597-C664 VanDerWaalsContact O-SG 3.37Å; K597-E683 HydrophobicContact CD-CB 4.2Å; K597-E683 VanDerWaalsContact CE-O 3.32Å; K597-E683 WeakPolarHBondContact CE-O 3.41Å; K597-E683 IonicContact NZ-OE2 3.71Å; K597-E683 PolarHBondContact NZ-OE2 3.05Å
598F94.8Very high96.5Very high0 Ų027 Ų270%013%0.129CC..THydrogen-bonded Turntrans-86.66174.7-66.7-101000112.5F528 A532 D533 C594 V595 R596 I600 F663 C664 L666 I684F528-F598 HydrophobicContact CD1-CD2 4.46Å; F528-F598 HydrophobicContact CD1-CE2 4.31Å; F528-F598 AromaticContact CE1-CD2 3.37Å; F528-F598 HydrophobicContact CE1-CD2 3.37Å; F528-F598 AromaticContact CE1-CE2 3.6Å; F528-F598 HydrophobicContact CE1-CE2 3.6Å; F528-F598 HydrophobicContact CE1-CG 4Å; F528-F598 HydrophobicContact CE1-CZ 4.4Å; F528-F598 HydrophobicContact CZ-CB 4.09Å; F528-F598 AromaticContact CZ-CD2 3.79Å; F528-F598 HydrophobicContact CZ-CD2 3.79Å; F528-F598 HydrophobicContact CZ-CE2 4.38Å; F528-F598 AromaticContact CZ-CG 3.96Å; F528-F598 HydrophobicContact CZ-CG 3.96Å; A532-F598 HydrophobicContact CB-CD1 3.52Å; A532-F598 HydrophobicContact CB-CE1 3.39Å; A532-F598 HydrophobicContact CB-CG 4.29Å; A532-F598 HydrophobicContact CB-CZ 4.05Å; D533-F598 WeakPolarHBondContact OD2-CE1 3.41Å; D533-F598 WeakPolarHBondContact OD2-CZ 3.42Å; C594-F598 VanDerWaalsContact O-CD2 3.3Å; C594-F598 WeakPolarHBondContact O-CD2 3.29Å; V595-F598 PolarHBondContact O-N 3.38Å; V595-F598 VanDerWaalsContact O-N 3.13Å; R596-F598 PolarHBondContact O-N 2.71Å; F598-I600 HydrophobicContact CB-CD1 3.91Å; F598-I600 HydrophobicContact CB-CG1 4.46Å; F598-I600 PolarHBondContact O-N 3.29Å; F598-F663 HydrophobicContact CB-CD2 4.31Å; F598-F663 HydrophobicContact CB-CE2 4.21Å; F598-F663 HydrophobicContact CD1-CE2 4.1Å; F598-F663 VanDerWaalsContact O-CA 3.26Å; F598-F663 WeakPolarHBondContact O-CA 3.4Å; F598-C664 WeakPolarHBondContact CA-O 3.28Å; F598-C664 WeakPolarHBondContact CD1-O 3.42Å; F598-C664 PolarHBondContact O-N 3.46Å; F598-L666 HydrophobicContact CE1-CB 3.82Å; F598-L666 HydrophobicContact CE2-CB 4.46Å; F598-L666 HydrophobicContact CZ-CB 3.67Å; F598-I684 HydrophobicContact CE2-CD1 4Å
599G93.6Very high96Very high38 Ų3831.1 Ų31.139%0.39215%0.147SC..THydrogen-bonded Turntrans76.217.5178.400000115.2R596 K597R596-G599 PolarHBondContact O-N 2.9Å; K597-G599 VanDerWaalsContact C-N 3.26Å
600I94Very high95.2Very high7 Ų735.4 Ų35.44%0.03618%0.179CC..  trans-107.8145-176.1-52.7150.7000111.1F528 P543 V546 V595 F598 F663F528-I600 HydrophobicContact CE2-CD1 4Å; F528-I600 HydrophobicContact CZ-CD1 3.92Å; P543-I600 HydrophobicContact CG-CD1 3.37Å; P543-I600 HydrophobicContact CG-CG1 4.1Å; V546-I600 HydrophobicContact CB-CG2 4.41Å; V546-I600 HydrophobicContact CG2-CB 4.45Å; V546-I600 HydrophobicContact CG2-CD1 4.35Å; V546-I600 HydrophobicContact CG2-CG2 3.78Å; V595-I600 HydrophobicContact CG1-CB 4.23Å; F598-I600 HydrophobicContact CB-CD1 3.91Å; F598-I600 HydrophobicContact CB-CG1 4.46Å; F598-I600 PolarHBondContact O-N 3.29Å; I600-F663 HydrophobicContact CD1-CD2 3.62Å; I600-F663 HydrophobicContact CD1-CE2 3.95Å; I600-F663 HydrophobicContact CG1-CD2 3.94Å
601A93.8Very high94.3Very high22 Ų2238.5 Ų38.518%0.18220%0.201CC..EExtended strand (participates in β ladder)trans-69.8131.2172.100000111.7V546 F630 A655V546-A601 PolarHBondContact N-O 3.09Å; A601-F630 HydrophobicContact CB-CB 4.12Å; A601-F630 HydrophobicContact CB-CD2 4.21Å; A601-F630 HydrophobicContact CB-CG 4.29Å; A601-A655 HydrophobicContact CB-CB 4.4Å
602A96.8Very high93.8Very high1 Ų139.5 Ų39.51%0.00821%0.206CC..EExtended strand (participates in β ladder)trans-102.6115.7175.200000110.6V546 I592 V595 A629 F630V546-A602 CarbonylContact O-C 3.54Å; V546-A602 WeakPolarHBondContact O-CA 3.34Å; I592-A602 HydrophobicContact CG2-CB 4.29Å; V595-A602 HydrophobicContact CB-CB 4.12Å; V595-A602 HydrophobicContact CG1-CB 3.86Å; A602-A629 CarbonylContact O-C 3.54Å; A602-A629 WeakPolarHBondContact O-CA 3.21Å; A602-F630 PolarHBondContact O-N 3.33Å
603V98.4Very high93.4Very high0 Ų043 Ų430%023%0.225CC..EExtended strand (participates in β ladder)trans-99.3123.2172.81770000108.7V546 V547 L548 F630 L648 I651 A655V546-V603 PolarHBondContact O-N 3.23Å; V547-V603 CarbonylContact C-O 3.42Å; V547-V603 VanDerWaalsContact CA-O 3.28Å; V547-V603 WeakPolarHBondContact CA-O 3.32Å; L548-V603 PolarHBondContact N-O 3.41Å; V603-F630 HydrophobicContact CG2-CB 4.36Å; V603-F630 HydrophobicContact CG2-CD1 4.1Å; V603-L648 HydrophobicContact CG1-CD1 3.68Å; V603-I651 HydrophobicContact CB-CG2 4.36Å; V603-I651 HydrophobicContact CG1-CG2 3.51Å; V603-I651 HydrophobicContact CG2-CG2 3.87Å; V603-A655 HydrophobicContact CG2-CB 3.86Å
604V98.7Very high93.1Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-89.4122.6179.5177.70000110.5L548 V550 M588 I592 I606 A624 A629 S631 A632 V633L548-V604 HydrophobicContact CB-CG2 4.45Å; L548-V604 HydrophobicContact CD2-CG2 4.31Å; L548-V604 WeakPolarHBondContact O-CA 3.26Å; V550-V604 HydrophobicContact CG1-CG1 4.41Å; V550-V604 HydrophobicContact CG2-CG1 3.75Å; M588-V604 HydrophobicContact SD-CG1 3.8Å; M588-V604 HydrophobicContact SD-CG2 4.37Å; I592-V604 HydrophobicContact CD1-CG2 3.86Å; I592-V604 HydrophobicContact CG1-CG2 4.18Å; V604-I606 HydrophobicContact CG1-CG1 4.2Å; V604-A624 HydrophobicContact CB-CB 4.11Å; V604-A624 HydrophobicContact CG1-CB 4.28Å; V604-A624 HydrophobicContact CG2-CB 3.86Å; V604-A629 HydrophobicContact CG2-CB 3.84Å; V604-S631 PolarHBondContact N-O 3.44Å; V604-A632 HydrophobicContact CB-CB 3.96Å; V604-A632 HydrophobicContact CG1-CB 4.5Å; V604-A632 CarbonylContact O-C 3.53Å; V604-A632 WeakPolarHBondContact O-CA 3.49Å; V604-V633 PolarHBondContact O-N 2.75Å
605A98.6Very high92.8Very high0 Ų045 Ų450%025%0.246CC..EExtended strand (participates in β ladder)trans-104.7109.9172.900000109.6V282 V547 L548 V549 V550 N607 L648V282-A605 HydrophobicContact CG1-CB 3.96Å; V547-A605 HydrophobicContact CG1-CB 3.64Å; L548-A605 PolarHBondContact O-N 3.26Å; V549-A605 WeakPolarHBondContact CA-O 3.24Å; V549-A605 HydrophobicContact CG2-CB 4.42Å; V550-A605 PolarHBondContact N-O 2.86Å; A605-N607 PolarHBondContact O-N 2.97Å; A605-L648 HydrophobicContact CB-CD1 4.11Å; A605-L648 HydrophobicContact CB-CD2 4.09Å
606I98.5Very high92.7Very high0 Ų045 Ų450%025%0.246CC..EExtended strand (participates in β ladder)trans-87.499.5176.9-50.2164.9000107.2V550 V604 R608 L617 V620 K621 V633 V634 C635V550-I606 HydrophobicContact CG2-CB 4.25Å; V550-I606 HydrophobicContact CG2-CG1 3.86Å; V550-I606 HydrophobicContact CG2-CG2 4.37Å; V550-I606 WeakPolarHBondContact O-CA 3.41Å; V604-I606 HydrophobicContact CG1-CG1 4.2Å; I606-R608 PolarHBondContact O-N 2.91Å; I606-L617 HydrophobicContact CG2-CD2 3.6Å; I606-V620 HydrophobicContact CD1-CB 3.89Å; I606-V620 HydrophobicContact CD1-CG1 3.71Å; I606-V620 HydrophobicContact CG1-CG1 3.87Å; I606-K621 HydrophobicContact CD1-CB 4.49Å; I606-K621 HydrophobicContact CD1-CG 3.55Å; I606-V633 PolarHBondContact N-O 3.39Å; I606-V634 HydrophobicContact CB-CG2 4.26Å; I606-V634 HydrophobicContact CD1-CG2 4.2Å; I606-V634 WeakPolarHBondContact O-CA 3.25Å; I606-C635 PolarHBondContact O-N 2.91Å
607N96.9Very high92.8Very high6 Ų638.3 Ų38.33%0.03222%0.221CC..EExtended strand (participates in β ladder)trans-73.1113.4179.7-178.126.3000109.6I277 V282 V549 V550 T551 A605I277-N607 PolarHBondContact O-ND2 2.94Å; V282-N607 HydrophobicContact CG2-CB 4.01Å; V549-N607 HydrophobicContact CG1-CB 4.03Å; V550-N607 PolarHBondContact O-N 3.23Å; T551-N607 HydrophobicContact CG2-CB 4.04Å; A605-N607 PolarHBondContact O-N 2.97Å
608R93.9Very high92.8Very high76 Ų7638.5 Ų38.529%0.28722%0.223SC..  trans-75.7141.6-173.2-178.9179.3-105.8-162.1-3.1110.9I606 D614 V634 C635 D636I606-R608 PolarHBondContact O-N 2.91Å; R608-D614 IonicContact CZ-OD1 2.79Å; R608-D614 IonicContact NH2-OD1 3.61Å; R608-D614 PolarHBondContact NH2-OD1 3.45Å; R608-V634 HydrophobicContact CB-CG1 3.9Å; R608-V634 HydrophobicContact CG-CG1 4.47Å; R608-C635 VanDerWaalsContact CB-O 3.31Å; R608-C635 WeakPolarHBondContact CB-O 3.38Å; R608-C635 PolarHBondContact N-O 3.36Å; R608-D636 HydrophobicContact CB-CB 4.45Å; R608-D636 WeakPolarHBondContact CD-OD2 3.44Å; R608-D636 IonicContact NH1-OD2 3.26Å
609F87.6Confident92.9Very high86 Ų8640 Ų4038%0.37723%0.232SC..  trans-116.3152.7164-74.4-107.3000109T551 T611 N612T551-F609 HydrophobicContact CG2-CD2 4.39Å; T551-F609 HydrophobicContact CG2-CE2 3.65Å; F609-T611 PolarHBondContact O-N 2.77Å; F609-N612 PolarHBondContact N-OD1 3.47Å; F609-N612 VanDerWaalsContact O-CB 3.32Å; F609-N612 WeakPolarHBondContact O-CB 3.48Å; F609-N612 PolarHBondContact O-N 3.13Å
610S80.1Confident93.1Very high117 Ų11738.1 Ų38.182%0.81821%0.213SC*.THydrogen-bonded Turntrans-57-22.8-179.255.10000114.4
611T80.5Confident93.3Very high101 Ų10140 Ų4062%0.6222%0.221SC*.THydrogen-bonded Turntrans-87.5-2.7178.156.40000114F609F609-T611 PolarHBondContact O-N 2.77Å
612N87.4Confident93.5Very high20 Ų2043.3 Ų43.311%0.10724%0.239CC..  trans-82.1135.3-177.4-60165.5000110.8I552 F609 L617I552-N612 HydrophobicContact CG1-CB 4.21Å; F609-N612 PolarHBondContact N-OD1 3.47Å; F609-N612 VanDerWaalsContact O-CB 3.32Å; F609-N612 WeakPolarHBondContact O-CB 3.48Å; F609-N612 PolarHBondContact O-N 3.13Å; N612-L617 HydrophobicContact CB-CD1 4.5Å; N612-L617 HydrophobicContact CB-CD2 4.23Å; N612-L617 HydrophobicContact CB-CG 4.41Å
613L89.4Confident93.6Very high75 Ų7547 Ų4739%0.39326%0.255SS..  trans-90.9145.3173.9-60.7175.6000110.4P572 S615 E616 L617P572-L613 HydrophobicContact CB-CD1 3.93Å; P572-L613 HydrophobicContact CB-CG 4.28Å; L613-S615 PolarHBondContact O-N 3.32Å; L613-E616 HydrophobicContact CB-CG 4.25Å; L613-E616 WeakPolarHBondContact O-CB 3.35Å; L613-E616 PolarHBondContact O-N 3.15Å; L613-L617 WeakPolarHBondContact O-CG 3.37Å; L613-L617 PolarHBondContact O-N 2.72Å; L613-L617 VanDerWaalsContact O-N 3.13Å
614D90.3Very high93.6Very high101 Ų10147 Ų4754%0.5426%0.255SS..Hα-helixtrans-58-35.4177.1-68.4-28.4000112.7R608 E616 L617 E618R608-D614 IonicContact CZ-OD1 2.79Å; R608-D614 IonicContact NH2-OD1 3.61Å; R608-D614 PolarHBondContact NH2-OD1 3.45Å; D614-E616 VanDerWaalsContact C-N 3.29Å; D614-E616 PolarHBondContact O-N 3.02Å; D614-L617 PolarHBondContact O-N 3.25Å; D614-E618 WeakPolarHBondContact O-CG 3.46Å; D614-E618 PolarHBondContact O-N 3.09Å
615S90.3Very high93.6Very high65 Ų6551.1 Ų51.146%0.45528%0.276SS..Hα-helixtrans-61.8-34.4174.758.20000113.2L613 V619L613-S615 PolarHBondContact O-N 3.32Å; S615-V619 WeakPolarHBondContact O-CG2 3.15Å; S615-V619 PolarHBondContact O-N 3.21Å
616E94.2Very high93.5Very high0 Ų055.3 Ų55.30%031%0.31CS..Hα-helixtrans-72.5-40.8175.1-67.1-171.714500110.9I552 K556 G573 S577 L578 I581 L613 D614 V619 V620I552-E616 HydrophobicContact CD1-CB 4.06Å; K556-E616 WeakPolarHBondContact CE-OE1 3.48Å; K556-E616 IonicContact NZ-OE1 3.87Å; K556-E616 PolarHBondContact NZ-OE1 3.18Å; K556-E616 IonicContact NZ-OE2 3.74Å; K556-E616 PolarHBondContact NZ-OE2 2.78Å; G573-E616 PolarHBondContact N-OE1 3.35Å; S577-E616 PolarHBondContact OG-OE1 3.17Å; L578-E616 HydrophobicContact CD2-CG 3.94Å; I581-E616 HydrophobicContact CD1-CB 3.67Å; I581-E616 HydrophobicContact CD1-CG 3.62Å; L613-E616 HydrophobicContact CB-CG 4.25Å; L613-E616 WeakPolarHBondContact O-CB 3.35Å; L613-E616 PolarHBondContact O-N 3.15Å; D614-E616 VanDerWaalsContact C-N 3.29Å; D614-E616 PolarHBondContact O-N 3.02Å; E616-V619 PolarHBondContact O-N 3.26Å; E616-V620 PolarHBondContact O-N 2.87Å
617L96.1Very high93.5Very high1 Ų155.9 Ų55.91%0.00532%0.317CS..Hα-helixtrans-64.3-43.2178.8-62.2170.8000111.9I552 I606 N612 L613 D614 V619 V620 K621 V634I552-L617 HydrophobicContact CD1-CD2 4.09Å; I552-L617 HydrophobicContact CG1-CD2 3.86Å; I606-L617 HydrophobicContact CG2-CD2 3.6Å; N612-L617 HydrophobicContact CB-CD1 4.5Å; N612-L617 HydrophobicContact CB-CD2 4.23Å; N612-L617 HydrophobicContact CB-CG 4.41Å; L613-L617 WeakPolarHBondContact O-CG 3.37Å; L613-L617 PolarHBondContact O-N 2.72Å; L613-L617 VanDerWaalsContact O-N 3.13Å; D614-L617 PolarHBondContact O-N 3.25Å; L617-V619 VanDerWaalsContact C-N 3.34Å; L617-V619 PolarHBondContact O-N 3.42Å; L617-V620 PolarHBondContact O-N 2.98Å; L617-V620 VanDerWaalsContact O-N 3.14Å; L617-K621 PolarHBondContact O-N 3.12Å; L617-V634 HydrophobicContact CB-CG2 3.96Å; L617-V634 HydrophobicContact CD1-CG1 4.1Å; L617-V634 HydrophobicContact CD1-CG2 4.07Å; L617-V634 HydrophobicContact CD2-CG2 4.18Å; L617-V634 HydrophobicContact CG-CG2 4.29Å
618E95.6Very high93.5Very high92 Ų9256.7 Ų56.743%0.4333%0.326SS..Hα-helixtrans-65.6-33.7179.5-73.2-53.7129.600113.2D614 V620 K621 T622D614-E618 WeakPolarHBondContact O-CG 3.46Å; D614-E618 PolarHBondContact O-N 3.09Å; E618-V620 VanDerWaalsContact C-N 3.3Å; E618-V620 PolarHBondContact O-N 3.36Å; E618-K621 PolarHBondContact O-N 3.08Å; E618-K621 WeakPolarHBondContact OE1-CD 3.37Å; E618-K621 WeakPolarHBondContact OE1-CE 3.42Å; E618-K621 IonicContact OE1-NZ 2.79Å; E618-K621 PolarHBondContact OE1-NZ 3.36Å; E618-T622 WeakPolarHBondContact O-CB 3.44Å; E618-T622 PolarHBondContact O-N 3.4Å; E618-T622 PolarHBondContact O-OG1 3.39Å
619V96.2Very high93.6Very high31 Ų3153.5 Ų53.519%0.18832%0.316CS..Hα-helixtrans-61.2-42172.3168.60000110.9L578 I581 Q582 S615 E616 L617 K623L578-V619 HydrophobicContact CD2-CG2 4.25Å; I581-V619 HydrophobicContact CG2-CG1 4.2Å; Q582-V619 HydrophobicContact CG-CG1 3.73Å; S615-V619 WeakPolarHBondContact O-CG2 3.15Å; S615-V619 PolarHBondContact O-N 3.21Å; E616-V619 PolarHBondContact O-N 3.26Å; L617-V619 VanDerWaalsContact C-N 3.34Å; L617-V619 PolarHBondContact O-N 3.42Å; V619-K623 WeakPolarHBondContact O-CB 3.25Å; V619-K623 WeakPolarHBondContact O-CG 3.33Å; V619-K623 PolarHBondContact O-N 3.06Å
620V98.1Very high94.1Very high0 Ų052.5 Ų52.50%031%0.312CS..Hα-helixtrans-67.4-45.9179.1179.90000111.1V550 I552 L555 I581 M588 I606 E616 L617 E618 T622 K623 A624V550-V620 HydrophobicContact CG2-CG1 4.17Å; I552-V620 HydrophobicContact CD1-CG2 3.65Å; L555-V620 HydrophobicContact CD1-CB 4.25Å; L555-V620 HydrophobicContact CD1-CG1 3.67Å; L555-V620 HydrophobicContact CD1-CG2 3.46Å; L555-V620 VanDerWaalsContact CD1-CG2 3.46Å; I581-V620 HydrophobicContact CG2-CG2 3.52Å; M588-V620 HydrophobicContact CE-CG1 4.03Å; M588-V620 HydrophobicContact SD-CG1 3.96Å; I606-V620 HydrophobicContact CD1-CB 3.89Å; I606-V620 HydrophobicContact CD1-CG1 3.71Å; I606-V620 HydrophobicContact CG1-CG1 3.87Å; E616-V620 PolarHBondContact O-N 2.87Å; L617-V620 PolarHBondContact O-N 2.98Å; L617-V620 VanDerWaalsContact O-N 3.14Å; E618-V620 VanDerWaalsContact C-N 3.3Å; E618-V620 PolarHBondContact O-N 3.36Å; V620-T622 VanDerWaalsContact C-N 3.34Å; V620-T622 PolarHBondContact O-N 3Å; V620-K623 PolarHBondContact O-N 3.37Å; V620-A624 WeakPolarHBondContact O-CB 3.29Å; V620-A624 PolarHBondContact O-N 3.11Å
621K98.3Very high94.9Very high46 Ų4648.3 Ų48.320%0.228%0.283CS..Hα-helixtrans-54.6-51175.1-70.5-174.5-171.3166.30111.2I606 L617 E618 K623 A624 I625 A632 V634I606-K621 HydrophobicContact CD1-CB 4.49Å; I606-K621 HydrophobicContact CD1-CG 3.55Å; L617-K621 PolarHBondContact O-N 3.12Å; E618-K621 PolarHBondContact O-N 3.08Å; E618-K621 WeakPolarHBondContact OE1-CD 3.37Å; E618-K621 WeakPolarHBondContact OE1-CE 3.42Å; E618-K621 IonicContact OE1-NZ 2.79Å; E618-K621 PolarHBondContact OE1-NZ 3.36Å; K621-K623 VanDerWaalsContact C-N 3.34Å; K621-K623 PolarHBondContact O-N 3.14Å; K621-A624 PolarHBondContact O-N 3.34Å; K621-I625 WeakPolarHBondContact O-CG1 3.43Å; K621-I625 PolarHBondContact O-N 3.19Å; K621-A632 HydrophobicContact CB-CB 4.29Å; K621-A632 HydrophobicContact CG-CB 4.3Å; K621-V634 VanDerWaalsContact CE-CG2 3.5Å
622T97.9Very high95.8Very high92 Ų9244 Ų4456%0.56426%0.257SS*.Hα-helixtrans-58.1-45.4-179.9-57.40000111.6E618 V620 A626E618-T622 WeakPolarHBondContact O-CB 3.44Å; E618-T622 PolarHBondContact O-N 3.4Å; E618-T622 PolarHBondContact O-OG1 3.39Å; V620-T622 VanDerWaalsContact C-N 3.34Å; V620-T622 PolarHBondContact O-N 3Å; T622-A626 VanDerWaalsContact O-CB 3.32Å; T622-A626 WeakPolarHBondContact O-CB 3.28Å; T622-A626 PolarHBondContact O-N 3.37Å
623K98.2Very high96.3Very high79 Ų7943 Ų4334%0.34325%0.252SS..Hα-helixtrans-68.8-35.5178.7-73.6-69.2-174.2179.60113C585 M588 V619 V620 K621 G627C585-K623 HydrophobicContact CB-CB 3.91Å; C585-K623 HydrophobicContact CB-CG 4.19Å; M588-K623 HydrophobicContact CE-CB 4.37Å; V619-K623 WeakPolarHBondContact O-CB 3.25Å; V619-K623 WeakPolarHBondContact O-CG 3.33Å; V619-K623 PolarHBondContact O-N 3.06Å; V620-K623 PolarHBondContact O-N 3.37Å; K621-K623 VanDerWaalsContact C-N 3.34Å; K621-K623 PolarHBondContact O-N 3.14Å; K623-G627 PolarHBondContact O-N 2.72Å
624A98.5Very high96.7Very high0 Ų040.9 Ų40.90%024%0.242CC..Hα-helixtrans-63.7-49.9176.400000111.5M588 I592 V604 V620 K621 G627 G628 A629 A632M588-A624 HydrophobicContact CE-CB 3.72Å; M588-A624 HydrophobicContact SD-CB 4.11Å; I592-A624 HydrophobicContact CD1-CB 4.43Å; V604-A624 HydrophobicContact CB-CB 4.11Å; V604-A624 HydrophobicContact CG1-CB 4.28Å; V604-A624 HydrophobicContact CG2-CB 3.86Å; V620-A624 WeakPolarHBondContact O-CB 3.29Å; V620-A624 PolarHBondContact O-N 3.11Å; K621-A624 PolarHBondContact O-N 3.34Å; A624-G627 CarbonylContact O-C 3.57Å; A624-G627 WeakPolarHBondContact O-CA 3.38Å; A624-G627 PolarHBondContact O-N 2.89Å; A624-G627 VanDerWaalsContact O-N 3.1Å; A624-G628 PolarHBondContact O-N 2.88Å; A624-A629 HydrophobicContact CB-CB 4.18Å; A624-A629 VanDerWaalsContact O-CB 3.24Å; A624-A629 WeakPolarHBondContact O-CB 3.49Å; A624-A629 PolarHBondContact O-N 2.91Å; A624-A632 HydrophobicContact CB-CB 3.66Å
625I98.3Very high97Very high86 Ų8636 Ų3644%0.44122%0.216SC..Hα-helixtrans-61.5-48.9177.4-60-59.2000110.7K621 G627 G628 A632K621-I625 WeakPolarHBondContact O-CG1 3.43Å; K621-I625 PolarHBondContact O-N 3.19Å; I625-G627 PolarHBondContact O-N 3.31Å; I625-G627 VanDerWaalsContact O-N 3.17Å; I625-G628 PolarHBondContact O-N 2.68Å; I625-A632 HydrophobicContact CD1-CB 4.27Å; I625-A632 HydrophobicContact CG1-CB 4.48Å
626A97.9Very high97.2Very high87 Ų8735 Ų3572%0.71921%0.205SC*.Hα-helixtrans-61.1-25.8176.200000112.9T622 G628T622-A626 VanDerWaalsContact O-CB 3.32Å; T622-A626 WeakPolarHBondContact O-CB 3.28Å; T622-A626 PolarHBondContact O-N 3.37Å; A626-G628 VanDerWaalsContact C-N 3.29Å
627G97.2Very high97.1Very high13 Ų1335 Ų3513%0.13421%0.205CC..THydrogen-bonded Turntrans-78.8-5.917500000115K623 A624 I625K623-G627 PolarHBondContact O-N 2.72Å; A624-G627 CarbonylContact O-C 3.57Å; A624-G627 WeakPolarHBondContact O-CA 3.38Å; A624-G627 PolarHBondContact O-N 2.89Å; A624-G627 VanDerWaalsContact O-N 3.1Å; I625-G627 PolarHBondContact O-N 3.31Å; I625-G627 VanDerWaalsContact O-N 3.17Å
628G96.8Very high96.9Very high22 Ų2239.3 Ų39.323%0.22722%0.222CC..THydrogen-bonded Turntrans96.716-179.900000114.8R596 A624 I625 A626R596-G628 WeakPolarHBondContact CD-O 3.38Å; R596-G628 PolarHBondContact NH1-O 3.12Å; A624-G628 PolarHBondContact O-N 2.88Å; I625-G628 PolarHBondContact O-N 2.68Å; A626-G628 VanDerWaalsContact C-N 3.29Å
629A97.7Very high96.6Very high9 Ų936.2 Ų36.27%0.07421%0.211CC..  trans-61.5146168.200000110.1I592 A602 V604 A624 S631I592-A629 HydrophobicContact CD1-CB 3.98Å; A602-A629 CarbonylContact O-C 3.54Å; A602-A629 WeakPolarHBondContact O-CA 3.21Å; V604-A629 HydrophobicContact CG2-CB 3.84Å; A624-A629 HydrophobicContact CB-CB 4.18Å; A624-A629 VanDerWaalsContact O-CB 3.24Å; A624-A629 WeakPolarHBondContact O-CB 3.49Å; A624-A629 PolarHBondContact O-N 2.91Å; A629-S631 VanDerWaalsContact C-N 3.33Å
630F96.8Very high96.1Very high65 Ų6537.4 Ų37.429%0.28522%0.221SC..SBendtrans-62.5-45.4171.3179.4-92.3000110.5A601 A602 V603 I651 A655 E658A601-F630 HydrophobicContact CB-CB 4.12Å; A601-F630 HydrophobicContact CB-CD2 4.21Å; A601-F630 HydrophobicContact CB-CG 4.29Å; A602-F630 PolarHBondContact O-N 3.33Å; V603-F630 HydrophobicContact CG2-CB 4.36Å; V603-F630 HydrophobicContact CG2-CD1 4.1Å; F630-I651 HydrophobicContact CD1-CG2 4.33Å; F630-A655 HydrophobicContact CD1-CB 3.75Å; F630-A655 HydrophobicContact CE1-CB 3.72Å; F630-A655 HydrophobicContact CG-CB 4.21Å; F630-A655 HydrophobicContact CZ-CB 4.16Å; F630-E658 HydrophobicContact CE2-CB 4.28Å; F630-E658 WeakPolarHBondContact CE2-OE2 3.38Å
631S97.7Very high95.6Very high30 Ų3037.8 Ų37.821%0.2123%0.225CC..EExtended strand (participates in β ladder)trans-158167.9172-171.60000110V604 A629V604-S631 PolarHBondContact N-O 3.44Å; A629-S631 VanDerWaalsContact C-N 3.33Å
632A98.4Very high95.2Very high10 Ų1036.5 Ų36.58%0.08322%0.223CC..EExtended strand (participates in β ladder)trans-140.7128.217700000110.7V604 K621 A624 I625V604-A632 HydrophobicContact CB-CB 3.96Å; V604-A632 HydrophobicContact CG1-CB 4.5Å; V604-A632 CarbonylContact O-C 3.53Å; V604-A632 WeakPolarHBondContact O-CA 3.49Å; K621-A632 HydrophobicContact CB-CB 4.29Å; K621-A632 HydrophobicContact CG-CB 4.3Å; A624-A632 HydrophobicContact CB-CB 3.66Å; I625-A632 HydrophobicContact CD1-CB 4.27Å; I625-A632 HydrophobicContact CG1-CB 4.48Å
633V98.2Very high94.8Very high0 Ų039.6 Ų39.60%023%0.231CC..EExtended strand (participates in β ladder)trans-138.3147.7-171.461.60000111.3V604 I606 E647 L648 I651V604-V633 PolarHBondContact O-N 2.75Å; I606-V633 PolarHBondContact N-O 3.39Å; V633-E647 HydrophobicContact CG2-CB 3.73Å; V633-E647 VanDerWaalsContact CG2-CD 3.44Å; V633-E647 HydrophobicContact CG2-CG 3.63Å; V633-E647 WeakPolarHBondContact CG2-OE2 3.35Å; V633-L648 HydrophobicContact CG1-CB 3.82Å; V633-L648 HydrophobicContact CG1-CD1 3.59Å; V633-L648 HydrophobicContact CG1-CG 4.29Å; V633-I651 HydrophobicContact CB-CD1 3.71Å; V633-I651 HydrophobicContact CG1-CD1 4.02Å; V633-I651 HydrophobicContact CG2-CD1 4.15Å
634V97.8Very high94.5Very high29 Ų2936.6 Ų36.618%0.17622%0.223CC..EExtended strand (participates in β ladder)trans-87.6132.5174.2174.90000108.6I606 R608 L617 K621I606-V634 HydrophobicContact CB-CG2 4.26Å; I606-V634 HydrophobicContact CD1-CG2 4.2Å; I606-V634 WeakPolarHBondContact O-CA 3.25Å; R608-V634 HydrophobicContact CB-CG1 3.9Å; R608-V634 HydrophobicContact CG-CG1 4.47Å; L617-V634 HydrophobicContact CB-CG2 3.96Å; L617-V634 HydrophobicContact CD1-CG1 4.1Å; L617-V634 HydrophobicContact CD1-CG2 4.07Å; L617-V634 HydrophobicContact CD2-CG2 4.18Å; L617-V634 HydrophobicContact CG-CG2 4.29Å; K621-V634 VanDerWaalsContact CE-CG2 3.5Å
635C96.7Very high94.3Very high0 Ų036.7 Ų36.70%022%0.223CC..EExtended strand (participates in β ladder)trans-115127.9178.5-56.90000109.2I606 R608 G644I606-C635 PolarHBondContact O-N 2.91Å; R608-C635 VanDerWaalsContact CB-O 3.31Å; R608-C635 WeakPolarHBondContact CB-O 3.38Å; R608-C635 PolarHBondContact N-O 3.36Å; C635-G644 CarbonylContact C-O 3.58Å; C635-G644 VanDerWaalsContact CA-O 3.31Å; C635-G644 WeakPolarHBondContact CA-O 3.11Å
636D94Very high94.3Very high43 Ų4334 Ų3423%0.2321%0.212CC..  trans-119.926.1176.5-153.43.3000111.3R608 W638 A639 S640 G644R608-D636 HydrophobicContact CB-CB 4.45Å; R608-D636 WeakPolarHBondContact CD-OD2 3.44Å; R608-D636 IonicContact NH1-OD2 3.26Å; D636-W638 PolarHBondContact O-N 3.11Å; D636-A639 PolarHBondContact O-N 3.05Å; D636-S640 PolarHBondContact O-N 2.93Å; D636-G644 PolarHBondContact N-O 3Å
637N93.1Very high94.2Very high0 Ų035.3 Ų35.30%020%0.203CC..Hα-helixtrans-66.6-18.5-174.665.7-87.8000113.5T281 S323 A639 G641 A645T281-N637 PolarHBondContact O-ND2 3.47Å; S323-N637 WeakPolarHBondContact CB-ND2 3.15Å; S323-N637 PolarHBondContact OG-ND2 3.36Å; S323-N637 PolarHBondContact OG-O 2.98Å; N637-A639 VanDerWaalsContact C-N 3.32Å; N637-G641 VanDerWaalsContact CA-O 3.22Å; N637-G641 WeakPolarHBondContact CA-O 3.44Å; N637-G641 WeakPolarHBondContact CB-O 3.38Å; N637-G641 VanDerWaalsContact O-CA 3.23Å; N637-G641 WeakPolarHBondContact O-CA 3.49Å; N637-G641 PolarHBondContact O-N 3.39Å; N637-A645 HydrophobicContact CB-CB 3.8Å
638W92.6Very high94.3Very high92 Ų9234.8 Ų34.835%0.34820%0.197SC..Hα-helixtrans-60.7-42.8168.9-177.384.1000111.3V209 T281 G321 Y322 D636V209-W638 HydrophobicContact CB-CE3 4.24Å; V209-W638 HydrophobicContact CB-CH2 3.44Å; V209-W638 VanDerWaalsContact CB-CH2 3.44Å; V209-W638 HydrophobicContact CB-CZ2 4.16Å; V209-W638 HydrophobicContact CB-CZ3 3.48Å; V209-W638 VanDerWaalsContact CB-CZ3 3.48Å; V209-W638 HydrophobicContact CG1-CD2 4.5Å; V209-W638 HydrophobicContact CG1-CE3 4.26Å; V209-W638 HydrophobicContact CG1-CH2 3.76Å; V209-W638 HydrophobicContact CG1-CZ2 3.97Å; V209-W638 HydrophobicContact CG1-CZ3 3.91Å; V209-W638 HydrophobicContact CG2-CE3 3.97Å; V209-W638 HydrophobicContact CG2-CH2 3.98Å; V209-W638 HydrophobicContact CG2-CZ3 3.43Å; V209-W638 VanDerWaalsContact CG2-CZ3 3.43Å; T281-W638 HydrophobicContact CG2-CB 3.94Å; T281-W638 HydrophobicContact CG2-CG 4.39Å; G321-W638 CarbonylContact C-O 3.48Å; G321-W638 VanDerWaalsContact CA-O 3.29Å; G321-W638 WeakPolarHBondContact CA-O 3.3Å; G321-W638 VanDerWaalsContact N-CD1 3.27Å; G321-W638 VanDerWaalsContact N-NE1 3.12Å; Y322-W638 PolarHBondContact N-O 2.88Å; D636-W638 PolarHBondContact O-N 3.11Å
639A88.6Confident94.3Very high26 Ų2633.7 Ų33.722%0.21519%0.186CC..Hα-helixtrans-90.3-32.9179.800000113.7V209 Y322 D636 N637V209-A639 HydrophobicContact CG2-CB 3.81Å; Y322-A639 WeakPolarHBondContact CD2-O 3.32Å; Y322-A639 WeakPolarHBondContact CE2-O 3.46Å; D636-A639 PolarHBondContact O-N 3.05Å; N637-A639 VanDerWaalsContact C-N 3.32Å
640S86.3Confident94.3Very high57 Ų5736.7 Ų36.740%0.39920%0.201SC..Hα-helixtrans-117.49.1-171.2-49.20000114.5D636 A642 E643D636-S640 PolarHBondContact O-N 2.93Å; S640-A642 PolarHBondContact O-N 2.9Å; S640-E643 PolarHBondContact O-N 3.41Å
641G87.7Confident94.4Very high7 Ų734.5 Ų34.57%0.07219%0.192CC..THydrogen-bonded Turntrans57.8-134.9179.600000113N637 E643 G644N637-G641 VanDerWaalsContact CA-O 3.22Å; N637-G641 WeakPolarHBondContact CA-O 3.44Å; N637-G641 WeakPolarHBondContact CB-O 3.38Å; N637-G641 VanDerWaalsContact O-CA 3.23Å; N637-G641 WeakPolarHBondContact O-CA 3.49Å; N637-G641 PolarHBondContact O-N 3.39Å; G641-E643 VanDerWaalsContact C-N 3.27Å; G641-E643 PolarHBondContact O-N 2.97Å; G641-G644 PolarHBondContact O-N 2.87Å
642A88.7Confident94.4Very high19 Ų1933 Ų3316%0.15718%0.182CC..THydrogen-bonded Turntrans-56.7-38.4-177.400000113.2Q288 A289 V292 S640 G644 A645 S646Q288-A642 HydrophobicContact CB-CB 3.8Å; A289-A642 WeakPolarHBondContact CB-O 3.27Å; V292-A642 HydrophobicContact CB-CB 4.14Å; V292-A642 HydrophobicContact CG2-CB 4.2Å; S640-A642 PolarHBondContact O-N 2.9Å; A642-G644 VanDerWaalsContact C-N 3.3Å; A642-G644 PolarHBondContact O-N 3.11Å; A642-A645 PolarHBondContact O-N 3.48Å; A642-A645 VanDerWaalsContact O-N 3.16Å; A642-S646 PolarHBondContact O-N 2.91Å; A642-S646 PolarHBondContact O-OG 3.28Å; A642-S646 VanDerWaalsContact O-OG 3.13Å
643E89.5Confident94.2Very high158 Ų15837.1 Ų37.174%0.73820%0.198SC*.G310 helixtrans-59.1-45.3-178.7-173175-177.500110.7S640 G641 A645 S646S640-E643 PolarHBondContact O-N 3.41Å; G641-E643 VanDerWaalsContact C-N 3.27Å; G641-E643 PolarHBondContact O-N 2.97Å; E643-A645 PolarHBondContact O-N 3.44Å; E643-S646 WeakPolarHBondContact CA-OG 3.3Å; E643-S646 WeakPolarHBondContact O-CB 3.36Å; E643-S646 PolarHBondContact O-N 3.32Å; E643-S646 PolarHBondContact O-OG 3.07Å; E643-S646 VanDerWaalsContact O-OG 3.05Å
644G91.3Very high94.1Very high16 Ų1641.1 Ų41.117%0.16522%0.219CC..G310 helixtrans-65.3-6.7-179.600000115.6C635 D636 G641 A642C635-G644 CarbonylContact C-O 3.58Å; C635-G644 VanDerWaalsContact CA-O 3.31Å; C635-G644 WeakPolarHBondContact CA-O 3.11Å; D636-G644 PolarHBondContact N-O 3Å; G641-G644 PolarHBondContact O-N 2.87Å; A642-G644 VanDerWaalsContact C-N 3.3Å; A642-G644 PolarHBondContact O-N 3.11Å
645A96Very high94Very high1 Ų139.8 Ų39.81%0.00821%0.211CC..G310 helixtrans-122.111173.600000113.5G285 A289 N637 A642 E643 E647 L648 A649G285-A645 WeakPolarHBondContact O-CB 3.47Å; A289-A645 VanDerWaalsContact CB-C 3.47Å; A289-A645 HydrophobicContact CB-CB 3.78Å; A289-A645 WeakPolarHBondContact CB-O 3.35Å; N637-A645 HydrophobicContact CB-CB 3.8Å; A642-A645 PolarHBondContact O-N 3.48Å; A642-A645 VanDerWaalsContact O-N 3.16Å; E643-A645 PolarHBondContact O-N 3.44Å; A645-E647 PolarHBondContact O-N 3.21Å; A645-L648 WeakPolarHBondContact O-CB 2.77Å; A645-L648 PolarHBondContact O-N 3.05Å; A645-A649 PolarHBondContact O-N 3.44Å
646S96.6Very high93.9Very high29 Ų2939.9 Ų39.920%0.20321%0.212CC..Hα-helixtrans-63.2-40.7-175.7-65.30000113.5A293 A642 E643 A649 N650A293-S646 WeakPolarHBondContact CB-OG 3.37Å; A642-S646 PolarHBondContact O-N 2.91Å; A642-S646 PolarHBondContact O-OG 3.28Å; A642-S646 VanDerWaalsContact O-OG 3.13Å; E643-S646 WeakPolarHBondContact CA-OG 3.3Å; E643-S646 WeakPolarHBondContact O-CB 3.36Å; E643-S646 PolarHBondContact O-N 3.32Å; E643-S646 PolarHBondContact O-OG 3.07Å; E643-S646 VanDerWaalsContact O-OG 3.05Å; S646-A649 PolarHBondContact O-N 2.94Å; S646-N650 PolarHBondContact O-N 3.45Å; S646-N650 PolarHBondContact O-ND2 3.47Å
647E97.5Very high93.8Very high116 Ų11641.6 Ų41.654%0.54223%0.232SC..Hα-helixtrans-67.3-40.2176.1-170.4-176.4173.900111V633 A645 A649 N650 I651V633-E647 HydrophobicContact CG2-CB 3.73Å; V633-E647 VanDerWaalsContact CG2-CD 3.44Å; V633-E647 HydrophobicContact CG2-CG 3.63Å; V633-E647 WeakPolarHBondContact CG2-OE2 3.35Å; A645-E647 PolarHBondContact O-N 3.21Å; E647-A649 VanDerWaalsContact C-N 3.35Å; E647-A649 PolarHBondContact O-N 3.44Å; E647-N650 PolarHBondContact O-N 3.33Å; E647-I651 HydrophobicContact CG-CD1 4.03Å; E647-I651 WeakPolarHBondContact O-CG1 3.49Å; E647-I651 PolarHBondContact O-N 3.47Å
648L98.4Very high93.5Very high1 Ų148.2 Ų48.21%0.00526%0.263CS..Hα-helixtrans-59-44.9173.5178.267.2000111.6V282 L286 V547 V603 A605 V633 A645 N650 I651 V652V282-L648 HydrophobicContact CG1-CD2 3.75Å; L286-L648 HydrophobicContact CB-CD2 4.23Å; L286-L648 HydrophobicContact CD1-CD2 4.13Å; L286-L648 HydrophobicContact CD1-CG 4.02Å; L286-L648 HydrophobicContact CD2-CD2 4.43Å; V547-L648 HydrophobicContact CG1-CD1 4.17Å; V547-L648 HydrophobicContact CG1-CD2 4.33Å; V547-L648 HydrophobicContact CG2-CD1 4.47Å; V603-L648 HydrophobicContact CG1-CD1 3.68Å; A605-L648 HydrophobicContact CB-CD1 4.11Å; A605-L648 HydrophobicContact CB-CD2 4.09Å; V633-L648 HydrophobicContact CG1-CB 3.82Å; V633-L648 HydrophobicContact CG1-CD1 3.59Å; V633-L648 HydrophobicContact CG1-CG 4.29Å; A645-L648 WeakPolarHBondContact O-CB 2.77Å; A645-L648 PolarHBondContact O-N 3.05Å; L648-N650 PolarHBondContact O-N 3.03Å; L648-I651 PolarHBondContact O-N 2.79Å; L648-V652 HydrophobicContact CD1-CG2 4.05Å; L648-V652 HydrophobicContact CG-CG2 4.27Å; L648-V652 WeakPolarHBondContact O-CB 3.41Å; L648-V652 VanDerWaalsContact O-CG2 3.29Å; L648-V652 WeakPolarHBondContact O-CG2 3.45Å; L648-V652 PolarHBondContact O-N 3.42Å
649A97.8Very high92.8Very high0 Ų045.5 Ų45.50%026%0.258CS..Hα-helixtrans-60.2-43.7179.300000112.5L286 A289 L290 V294 A645 S646 E647 V652 K653L286-A649 HydrophobicContact CD1-CB 4.03Å; A289-A649 HydrophobicContact CB-CB 3.69Å; L290-A649 HydrophobicContact CD2-CB 3.94Å; L290-A649 HydrophobicContact CG-CB 3.97Å; V294-A649 HydrophobicContact CG2-CB 3.63Å; A645-A649 PolarHBondContact O-N 3.44Å; S646-A649 PolarHBondContact O-N 2.94Å; E647-A649 VanDerWaalsContact C-N 3.35Å; E647-A649 PolarHBondContact O-N 3.44Å; A649-V652 PolarHBondContact O-N 3.16Å; A649-K653 WeakPolarHBondContact O-CB 3.29Å; A649-K653 PolarHBondContact O-N 2.94Å
650N97.5Very high91.7Very high72 Ų7248.9 Ų48.939%0.38528%0.28SS..Hα-helixtrans-64-43.1175.7-77.4-62.5000112.3S646 E647 L648 K653 N654S646-N650 PolarHBondContact O-N 3.45Å; S646-N650 PolarHBondContact O-ND2 3.47Å; E647-N650 PolarHBondContact O-N 3.33Å; L648-N650 PolarHBondContact O-N 3.03Å; N650-K653 PolarHBondContact O-N 2.89Å; N650-N654 VanDerWaalsContact O-CG 3.27Å; N650-N654 PolarHBondContact O-N 3.02Å; N650-N654 PolarHBondContact O-ND2 3.42Å
651I97.6Very high90.5Very high18 Ų1851.9 Ų51.99%0.09230%0.301CS..Hα-helixtrans-62.6-43.6176.5-71.4165.8000111.1V603 F630 V633 E647 L648 N654 A655V603-I651 HydrophobicContact CB-CG2 4.36Å; V603-I651 HydrophobicContact CG1-CG2 3.51Å; V603-I651 HydrophobicContact CG2-CG2 3.87Å; F630-I651 HydrophobicContact CD1-CG2 4.33Å; V633-I651 HydrophobicContact CB-CD1 3.71Å; V633-I651 HydrophobicContact CG1-CD1 4.02Å; V633-I651 HydrophobicContact CG2-CD1 4.15Å; E647-I651 HydrophobicContact CG-CD1 4.03Å; E647-I651 WeakPolarHBondContact O-CG1 3.49Å; E647-I651 PolarHBondContact O-N 3.47Å; L648-I651 PolarHBondContact O-N 2.79Å; I651-N654 PolarHBondContact O-N 2.9Å; I651-A655 WeakPolarHBondContact O-CB 3.32Å; I651-A655 PolarHBondContact O-N 2.72Å
652V97.4Very high90.1Very high0 Ų053.7 Ų53.70%032%0.32CS..Hα-helixtrans-63.4-42.4178.1167.20000110.9V265 L286 V547 L648 A649 N654 A655 C656V265-V652 HydrophobicContact CB-CG1 4.45Å; V265-V652 HydrophobicContact CG1-CG1 3.94Å; V265-V652 HydrophobicContact CG2-CG1 3.68Å; L286-V652 HydrophobicContact CD1-CB 4.4Å; L286-V652 HydrophobicContact CD1-CG2 4.18Å; L286-V652 HydrophobicContact CD2-CG2 4.18Å; V547-V652 HydrophobicContact CG2-CG2 3.59Å; L648-V652 HydrophobicContact CD1-CG2 4.05Å; L648-V652 HydrophobicContact CG-CG2 4.27Å; L648-V652 WeakPolarHBondContact O-CB 3.41Å; L648-V652 VanDerWaalsContact O-CG2 3.29Å; L648-V652 WeakPolarHBondContact O-CG2 3.45Å; L648-V652 PolarHBondContact O-N 3.42Å; A649-V652 PolarHBondContact O-N 3.16Å; V652-N654 VanDerWaalsContact C-N 3.32Å; V652-N654 PolarHBondContact O-N 3.22Å; V652-A655 PolarHBondContact O-N 3.46Å; V652-C656 WeakPolarHBondContact O-CB 3.47Å; V652-C656 PolarHBondContact O-N 3.43Å; V652-C656 PolarHBondContact O-SG 2.81Å
653K95.8Very high90.3Very high96 Ų9654.6 Ų54.642%0.41732%0.32SS..Hα-helixtrans-56.3-46.7172.9172.8174.5177.1179.40111.5V294 F515 A649 N650 C656 A657V294-K653 HydrophobicContact CG1-CD 3.54Å; F515-K653 HydrophobicContact CZ-CB 3.94Å; F515-K653 HydrophobicContact CZ-CG 4.08Å; A649-K653 WeakPolarHBondContact O-CB 3.29Å; A649-K653 PolarHBondContact O-N 2.94Å; N650-K653 PolarHBondContact O-N 2.89Å; K653-C656 PolarHBondContact O-N 3Å; K653-A657 PolarHBondContact O-N 3.38Å
654N95.6Very high90.5Very high84 Ų8450 Ų5045%0.44930%0.304SS..Hα-helixtrans-65.4-44.7178.5-65.5-14.1000111.8N650 I651 V652 C656 A657 E658N650-N654 VanDerWaalsContact O-CG 3.27Å; N650-N654 PolarHBondContact O-N 3.02Å; N650-N654 PolarHBondContact O-ND2 3.42Å; I651-N654 PolarHBondContact O-N 2.9Å; V652-N654 VanDerWaalsContact C-N 3.32Å; V652-N654 PolarHBondContact O-N 3.22Å; N654-C656 VanDerWaalsContact C-N 3.29Å; N654-C656 PolarHBondContact O-N 3.01Å; N654-A657 WeakPolarHBondContact O-CB 3.48Å; N654-A657 PolarHBondContact O-N 2.85Å; N654-E658 PolarHBondContact O-N 2.91Å
655A95.4Very high90.7Very high1 Ų152.8 Ų52.81%0.00831%0.312CS..Hα-helixtrans-58.8-40.7176.200000112A545 A601 V603 F630 I651 V652 A657 S659A545-A655 HydrophobicContact CB-CB 4.11Å; A601-A655 HydrophobicContact CB-CB 4.4Å; V603-A655 HydrophobicContact CG2-CB 3.86Å; F630-A655 HydrophobicContact CD1-CB 3.75Å; F630-A655 HydrophobicContact CE1-CB 3.72Å; F630-A655 HydrophobicContact CG-CB 4.21Å; F630-A655 HydrophobicContact CZ-CB 4.16Å; I651-A655 WeakPolarHBondContact O-CB 3.32Å; I651-A655 PolarHBondContact O-N 2.72Å; V652-A655 PolarHBondContact O-N 3.46Å; A655-A657 VanDerWaalsContact C-N 3.32Å; A655-A657 PolarHBondContact O-N 2.76Å; A655-S659 PolarHBondContact O-N 3.14Å; A655-S659 VanDerWaalsContact O-N 3.12Å
656C94.6Very high90.6Very high1 Ų153.2 Ų53.21%0.00731%0.314CS..Hα-helixtrans-70.1-26.6176.3-66.10000113.3K263 F515 D544 V652 K653 N654K263-C656 HydrophobicContact CB-CB 4.44Å; K263-C656 HydrophobicContact CD-CB 4.11Å; K263-C656 HydrophobicContact CG-CB 4.21Å; K263-C656 PolarHBondContact NZ-O 3.45Å; F515-C656 HydrophobicContact CE1-CB 4.09Å; D544-C656 HydrophobicContact CB-CB 4.04Å; V652-C656 WeakPolarHBondContact O-CB 3.47Å; V652-C656 PolarHBondContact O-N 3.43Å; V652-C656 PolarHBondContact O-SG 2.81Å; K653-C656 PolarHBondContact O-N 3Å; N654-C656 VanDerWaalsContact C-N 3.29Å; N654-C656 PolarHBondContact O-N 3.01Å
657A92.1Very high90.3Very high80 Ų8052.2 Ų52.266%0.66131%0.307SS*.Hα-helixtrans-79-36.617700000112.2K653 N654 A655 S659K653-A657 PolarHBondContact O-N 3.38Å; N654-A657 WeakPolarHBondContact O-CB 3.48Å; N654-A657 PolarHBondContact O-N 2.85Å; A655-A657 VanDerWaalsContact C-N 3.32Å; A655-A657 PolarHBondContact O-N 2.76Å; A657-S659 VanDerWaalsContact C-N 3.28Å
658E87.3Confident89.8Confident138 Ų13849 Ų4965%0.64530%0.298SS*.Hα-helixtrans-80.7-9.3176-69.4-176-143.400113.4F630 N654 S660F630-E658 HydrophobicContact CE2-CB 4.28Å; F630-E658 WeakPolarHBondContact CE2-OE2 3.38Å; N654-E658 PolarHBondContact O-N 2.91Å; E658-S660 PolarHBondContact O-N 3.14Å
659S77.7Confident89Confident35 Ų3550.6 Ų50.625%0.24531%0.314CS..  trans-63.797.5178.1-159.90000110.8D544 A655 A657D544-S659 WeakPolarHBondContact O-CB 3.28Å; D544-S659 PolarHBondContact O-OG 2.95Å; A655-S659 PolarHBondContact O-N 3.14Å; A655-S659 VanDerWaalsContact O-N 3.12Å; A657-S659 VanDerWaalsContact C-N 3.28Å
660S64.4Low88.4Confident97 Ų9755.2 Ų55.268%0.67835%0.347SS*.  trans-69134157.761.20000107.2E658 G662E658-S660 PolarHBondContact O-N 3.14Å; S660-G662 PolarHBondContact O-N 3.27Å
661S62.1Low88.1Confident120 Ų12053.7 Ų53.784%0.83934%0.337SS*.SBendtrans-62.933.2-170.165.10000116.9F663S661-F663 PolarHBondContact O-N 2.93Å
662G80Confident87.9Confident45 Ų4555.2 Ų55.246%0.46435%0.349SS..  trans-74.120.9-175.600000114.8S660 C664S660-G662 PolarHBondContact O-N 3.27Å; G662-C664 PolarHBondContact O-N 3.39Å
663F92.5Very high87.7Confident39 Ų3956 Ų5617%0.17135%0.354CS..  trans-58125.2173.9174.5-110.5000110.2A532 C536 A542 F598 I600 S661 F665A532-F663 HydrophobicContact CB-CE2 4.16Å; A532-F663 HydrophobicContact CB-CZ 4.3Å; C536-F663 HydrophobicContact CB-CE1 4.04Å; C536-F663 HydrophobicContact CB-CZ 3.85Å; A542-F663 HydrophobicContact CB-CB 3.79Å; A542-F663 HydrophobicContact CB-CD1 3.59Å; A542-F663 HydrophobicContact CB-CE1 4.4Å; A542-F663 HydrophobicContact CB-CG 3.8Å; F598-F663 HydrophobicContact CB-CD2 4.31Å; F598-F663 HydrophobicContact CB-CE2 4.21Å; F598-F663 HydrophobicContact CD1-CE2 4.1Å; F598-F663 VanDerWaalsContact O-CA 3.26Å; F598-F663 WeakPolarHBondContact O-CA 3.4Å; I600-F663 HydrophobicContact CD1-CD2 3.62Å; I600-F663 HydrophobicContact CD1-CE2 3.95Å; I600-F663 HydrophobicContact CG1-CD2 3.94Å; S661-F663 PolarHBondContact O-N 2.93Å; F663-F665 HydrophobicContact CE1-CD1 4.03Å; F663-F665 AromaticContact CE1-CE1 3.61Å; F663-F665 HydrophobicContact CE1-CE1 3.61Å; F663-F665 HydrophobicContact CE1-CZ 4.01Å; F663-F665 AromaticContact CZ-CD1 3.95Å; F663-F665 HydrophobicContact CZ-CD1 3.95Å; F663-F665 AromaticContact CZ-CE1 3.82Å; F663-F665 HydrophobicContact CZ-CE1 3.82Å
664C93.4Very high87.6Confident60 Ų6057.8 Ų57.841%0.40536%0.358SS..  trans-131.7144.8174.561.70000110.6K597 F598 G662K597-C664 PolarHBondContact O-SG 2.99Å; K597-C664 VanDerWaalsContact O-SG 3.37Å; F598-C664 WeakPolarHBondContact CA-O 3.28Å; F598-C664 WeakPolarHBondContact CD1-O 3.42Å; F598-C664 PolarHBondContact O-N 3.46Å; G662-C664 PolarHBondContact O-N 3.39Å
665F94.7Very high87.6Confident76 Ų7656.1 Ų56.133%0.33335%0.35SS..  trans-68.5146.7169.1-61.8-59.7000109.8A532 D533 C536 R537 F663A532-F665 VanDerWaalsContact O-CD1 3.27Å; A532-F665 WeakPolarHBondContact O-CD1 3.42Å; A532-F665 WeakPolarHBondContact O-CE1 3.49Å; D533-F665 WeakPolarHBondContact OD1-CB 3.36Å; C536-F665 HydrophobicContact CB-CE1 4.16Å; R537-F665 HydrophobicContact CB-CE1 3.83Å; R537-F665 HydrophobicContact CB-CZ 3.89Å; R537-F665 HydrophobicContact CG-CZ 4.29Å; F663-F665 HydrophobicContact CE1-CD1 4.03Å; F663-F665 AromaticContact CE1-CE1 3.61Å; F663-F665 HydrophobicContact CE1-CE1 3.61Å; F663-F665 HydrophobicContact CE1-CZ 4.01Å; F663-F665 AromaticContact CZ-CD1 3.95Å; F663-F665 HydrophobicContact CZ-CD1 3.95Å; F663-F665 AromaticContact CZ-CE1 3.82Å; F663-F665 HydrophobicContact CZ-CE1 3.82Å
666L94Very high87.6Confident9 Ų956.3 Ų56.35%0.04735%0.351CS..SBendtrans-62.1-53.6172.5-174.670.9000108.1D533 F598 R679 I680 E683 I684D533-L666 PolarHBondContact OD1-N 3.41Å; D533-L666 VanDerWaalsContact OD1-N 3.08Å; D533-L666 WeakPolarHBondContact OD2-CB 3.36Å; F598-L666 HydrophobicContact CE1-CB 3.82Å; F598-L666 HydrophobicContact CE2-CB 4.46Å; F598-L666 HydrophobicContact CZ-CB 3.67Å; L666-R679 PolarHBondContact O-NH1 3.36Å; L666-R679 PolarHBondContact O-NH2 3.2Å; L666-I680 HydrophobicContact CD2-CG1 3.92Å; L666-E683 HydrophobicContact CD1-CB 4.06Å; L666-E683 HydrophobicContact CD1-CG 4.49Å; L666-I684 HydrophobicContact CD1-CD1 4.46Å; L666-I684 HydrophobicContact CD2-CD1 4Å; L666-I684 HydrophobicContact CD2-CG1 3.63Å
667C89.8Confident87.6Confident9 Ų956.4 Ų56.46%0.06135%0.351CS..SBendtrans-104.3138.6-176.8-57.90000112.2R537 E671 K676R537-C667 PolarHBondContact NH2-O 2.95Å; C667-E671 VanDerWaalsContact CA-OE2 3.25Å; C667-E671 WeakPolarHBondContact CA-OE2 3.41Å; C667-E671 WeakPolarHBondContact CB-OE2 2.87Å; C667-K676 HydrophobicContact CB-CB 4.42Å; C667-K676 HydrophobicContact CB-CG 3.95Å
668S87.4Confident87.8Confident49 Ų4955.5 Ų55.534%0.34333%0.333SS..  trans-76154.4171.278.80000111.1S670 E671S668-S670 PolarHBondContact O-N 2.72Å; S668-S670 PolarHBondContact OG-OG 3Å; S668-E671 PolarHBondContact N-OE2 2.65Å; S668-E671 PolarHBondContact O-N 2.82Å; S668-E671 VanDerWaalsContact OG-CG 3.29Å; S668-E671 WeakPolarHBondContact OG-CG 3.13Å; S668-E671 PolarHBondContact OG-N 2.68Å
669G81.6Confident88.2Confident34 Ų3452 Ų5235%0.35131%0.314SS..THydrogen-bonded Turntrans-65.3-25178.200000113.9
670S86.6Confident89.1Confident97 Ų9750.4 Ų50.468%0.67830%0.303SS*.THydrogen-bonded Turntrans-86-16.5-177.249.60000114.3S668S668-S670 PolarHBondContact O-N 2.72Å; S668-S670 PolarHBondContact OG-OG 3Å
671E90.6Very high90.6Very high40 Ų4045.8 Ų45.819%0.18727%0.271CS..SBendtrans-59.9150.6178.3-85.5168.7148.300112C667 S668 T675 K676 R679C667-E671 VanDerWaalsContact CA-OE2 3.25Å; C667-E671 WeakPolarHBondContact CA-OE2 3.41Å; C667-E671 WeakPolarHBondContact CB-OE2 2.87Å; S668-E671 PolarHBondContact N-OE2 2.65Å; S668-E671 PolarHBondContact O-N 2.82Å; S668-E671 VanDerWaalsContact OG-CG 3.29Å; S668-E671 WeakPolarHBondContact OG-CG 3.13Å; S668-E671 PolarHBondContact OG-N 2.68Å; E671-T675 HydrophobicContact CB-CG2 4.28Å; E671-T675 HydrophobicContact CG-CG2 3.95Å; E671-K676 HydrophobicContact CB-CG 4.05Å; E671-K676 VanDerWaalsContact O-CE 3.24Å; E671-K676 WeakPolarHBondContact O-CE 3.42Å; E671-R679 WeakPolarHBondContact OE1-CD 2.97Å; E671-R679 IonicContact OE1-CZ 3.64Å; E671-R679 IonicContact OE1-NE 3.14Å; E671-R679 IonicContact OE1-NH1 3.36Å; E671-R679 PolarHBondContact OE1-NH1 3.21Å; E671-R679 IonicContact OE2-NH1 2.91Å; E671-R679 PolarHBondContact OE2-NH1 2.76Å
672S92.5Very high92.1Very high49 Ų4943 Ų4334%0.34325%0.249SC..  trans-67.4152.2175.1820000110.8R674 T675 K676S672-R674 PolarHBondContact O-N 2.81Å; S672-T675 WeakPolarHBondContact O-CB 3.3Å; S672-T675 PolarHBondContact O-N 2.99Å; S672-T675 WeakPolarHBondContact OG-CB 3.43Å; S672-T675 PolarHBondContact OG-N 2.95Å; S672-T675 PolarHBondContact OG-OG1 3.33Å; S672-K676 WeakPolarHBondContact O-CG 3.39Å; S672-K676 PolarHBondContact O-N 3.11Å
673L93.5Very high92.9Very high18 Ų1843.2 Ų43.29%0.09424%0.238CC..Hα-helixtrans-51.9-41.1174.6178.856.5000112.2K676 I677 M700 F703 D709 V713 I742L673-K676 PolarHBondContact O-N 3.2Å; L673-I677 HydrophobicContact CD1-CD1 4.07Å; L673-I677 HydrophobicContact CD1-CG1 4.46Å; L673-I677 HydrophobicContact CG-CD1 4.06Å; L673-I677 WeakPolarHBondContact O-CD1 3.31Å; L673-I677 VanDerWaalsContact O-CG1 3.29Å; L673-I677 WeakPolarHBondContact O-CG1 3.38Å; L673-I677 PolarHBondContact O-N 2.99Å; L673-I677 VanDerWaalsContact O-N 3.11Å; L673-M700 HydrophobicContact CB-CE 4.11Å; L673-M700 HydrophobicContact CD2-CB 4.38Å; L673-M700 HydrophobicContact CD2-CE 4.13Å; L673-M700 HydrophobicContact CD2-CG 3.83Å; L673-M700 HydrophobicContact CG-CE 3.92Å; L673-F703 HydrophobicContact CD2-CD2 4.04Å; L673-D709 HydrophobicContact CB-CB 4.37Å; L673-V713 HydrophobicContact CD1-CG2 3.56Å; L673-I742 HydrophobicContact CD1-CD1 4.38Å; L673-I742 HydrophobicContact CD2-CD1 3.8Å; L673-I742 HydrophobicContact CG-CD1 4.37Å
674R94Very high93Very high133 Ų13341.3 Ų41.350%0.50223%0.23SC..Hα-helixtrans-60.6-48.8175.7-175.8173.2178.8160.23.4112.2S672 K676 I677 E678 Y692 M700S672-R674 PolarHBondContact O-N 2.81Å; R674-K676 VanDerWaalsContact C-N 3.34Å; R674-K676 PolarHBondContact O-N 3.44Å; R674-I677 PolarHBondContact O-N 3.39Å; R674-E678 HydrophobicContact CG-CG 4.49Å; R674-E678 WeakPolarHBondContact CG-OE1 3.42Å; R674-E678 IonicContact CZ-OE1 3.9Å; R674-E678 IonicContact NE-OE1 2.66Å; R674-E678 PolarHBondContact NE-OE1 3.48Å; R674-E678 IonicContact NH2-OE1 3.37Å; R674-E678 WeakPolarHBondContact O-CG 3.22Å; R674-E678 PolarHBondContact O-N 2.84Å; R674-Y692 HydrophobicContact CG-CE2 4.46Å; R674-Y692 PolarHBondContact O-OH 3.17Å; R674-M700 HydrophobicContact CB-CE 3.79Å
675T94.9Very high93.2Very high48 Ų4838.5 Ų38.529%0.29421%0.21SC..Hα-helixtrans-60.6-43.7178.9-53.50000111.2E671 S672 I677 E678 R679E671-T675 HydrophobicContact CB-CG2 4.28Å; E671-T675 HydrophobicContact CG-CG2 3.95Å; S672-T675 WeakPolarHBondContact O-CB 3.3Å; S672-T675 PolarHBondContact O-N 2.99Å; S672-T675 WeakPolarHBondContact OG-CB 3.43Å; S672-T675 PolarHBondContact OG-N 2.95Å; S672-T675 PolarHBondContact OG-OG1 3.33Å; T675-I677 PolarHBondContact O-N 3.28Å; T675-E678 PolarHBondContact O-N 3.11Å; T675-R679 HydrophobicContact CG2-CG 4.34Å; T675-R679 WeakPolarHBondContact O-CB 3.23Å; T675-R679 VanDerWaalsContact O-CG 3.28Å; T675-R679 WeakPolarHBondContact O-CG 3.46Å; T675-R679 PolarHBondContact O-N 3.47Å
676K95.4Very high93.1Very high6 Ų635.8 Ų35.83%0.02620%0.204CC..Hα-helixtrans-58.5-47.4177.2-65172.5-178.4166.70111.5C667 E671 S672 L673 R674 R679 I680 D709 K710 L711 V713C667-K676 HydrophobicContact CB-CB 4.42Å; C667-K676 HydrophobicContact CB-CG 3.95Å; E671-K676 HydrophobicContact CB-CG 4.05Å; E671-K676 VanDerWaalsContact O-CE 3.24Å; E671-K676 WeakPolarHBondContact O-CE 3.42Å; S672-K676 WeakPolarHBondContact O-CG 3.39Å; S672-K676 PolarHBondContact O-N 3.11Å; L673-K676 PolarHBondContact O-N 3.2Å; R674-K676 VanDerWaalsContact C-N 3.34Å; R674-K676 PolarHBondContact O-N 3.44Å; K676-R679 PolarHBondContact O-N 3.13Å; K676-I680 WeakPolarHBondContact O-CG1 3.33Å; K676-I680 PolarHBondContact O-N 3.48Å; K676-D709 PolarHBondContact NZ-O 2.8Å; K676-K710 PolarHBondContact NZ-O 3.25Å; K676-L711 PolarHBondContact NZ-O 2.93Å; K676-V713 HydrophobicContact CB-CG2 3.74Å; K676-V713 HydrophobicContact CD-CG2 4.09Å
677I95.8Very high93.2Very high2 Ų235.6 Ų35.61%0.0120%0.204CC..Hα-helixtrans-61.1-47.9177.8-67.7163.1000110.9L673 R674 T675 R679 I680 A681 V690 Y692 V713 L739 I742L673-I677 HydrophobicContact CD1-CD1 4.07Å; L673-I677 HydrophobicContact CD1-CG1 4.46Å; L673-I677 HydrophobicContact CG-CD1 4.06Å; L673-I677 WeakPolarHBondContact O-CD1 3.31Å; L673-I677 VanDerWaalsContact O-CG1 3.29Å; L673-I677 WeakPolarHBondContact O-CG1 3.38Å; L673-I677 PolarHBondContact O-N 2.99Å; L673-I677 VanDerWaalsContact O-N 3.11Å; R674-I677 PolarHBondContact O-N 3.39Å; T675-I677 PolarHBondContact O-N 3.28Å; I677-R679 VanDerWaalsContact C-N 3.33Å; I677-R679 PolarHBondContact O-N 2.96Å; I677-I680 PolarHBondContact O-N 2.89Å; I677-A681 WeakPolarHBondContact O-CB 3.43Å; I677-A681 PolarHBondContact O-N 3.14Å; I677-V690 HydrophobicContact CG2-CG1 4.07Å; I677-V690 HydrophobicContact CG2-CG2 4.4Å; I677-Y692 HydrophobicContact CD1-CE1 4.28Å; I677-Y692 HydrophobicContact CG2-CE1 4.32Å; I677-V713 HydrophobicContact CG1-CG1 4.05Å; I677-V713 HydrophobicContact CG1-CG2 4.29Å; I677-L739 HydrophobicContact CD1-CD2 3.88Å; I677-L739 HydrophobicContact CG2-CD2 4.17Å; I677-I742 HydrophobicContact CD1-CD1 4.44Å
678E96.1Very high93.5Very high61 Ų6141.8 Ų41.829%0.28523%0.231SC..Hα-helixtrans-62.4-39.2-179.9-75167.1178.400112R674 T675 A681 T682 V690 Y692R674-E678 HydrophobicContact CG-CG 4.49Å; R674-E678 WeakPolarHBondContact CG-OE1 3.42Å; R674-E678 IonicContact CZ-OE1 3.9Å; R674-E678 IonicContact NE-OE1 2.66Å; R674-E678 PolarHBondContact NE-OE1 3.48Å; R674-E678 IonicContact NH2-OE1 3.37Å; R674-E678 WeakPolarHBondContact O-CG 3.22Å; R674-E678 PolarHBondContact O-N 2.84Å; T675-E678 PolarHBondContact O-N 3.11Å; E678-A681 PolarHBondContact O-N 3.09Å; E678-T682 WeakPolarHBondContact O-CB 3.32Å; E678-T682 VanDerWaalsContact O-CG2 3.28Å; E678-T682 WeakPolarHBondContact O-CG2 3.45Å; E678-T682 PolarHBondContact O-N 2.9Å; E678-T682 PolarHBondContact O-OG1 2.82Å; E678-V690 HydrophobicContact CG-CG2 4.21Å; E678-Y692 WeakPolarHBondContact CG-OH 2.92Å
679R95.6Very high93.9Very high64 Ų6442.8 Ų42.824%0.24224%0.236CC..Hα-helixtrans-68.1-44.2176.7-70.5-172.571.8-157.5-11.8112.4L666 E671 T675 K676 I677 A681 T682 E683L666-R679 PolarHBondContact O-NH1 3.36Å; L666-R679 PolarHBondContact O-NH2 3.2Å; E671-R679 WeakPolarHBondContact OE1-CD 2.97Å; E671-R679 IonicContact OE1-CZ 3.64Å; E671-R679 IonicContact OE1-NE 3.14Å; E671-R679 IonicContact OE1-NH1 3.36Å; E671-R679 PolarHBondContact OE1-NH1 3.21Å; E671-R679 IonicContact OE2-NH1 2.91Å; E671-R679 PolarHBondContact OE2-NH1 2.76Å; T675-R679 HydrophobicContact CG2-CG 4.34Å; T675-R679 WeakPolarHBondContact O-CB 3.23Å; T675-R679 VanDerWaalsContact O-CG 3.28Å; T675-R679 WeakPolarHBondContact O-CG 3.46Å; T675-R679 PolarHBondContact O-N 3.47Å; K676-R679 PolarHBondContact O-N 3.13Å; I677-R679 VanDerWaalsContact C-N 3.33Å; I677-R679 PolarHBondContact O-N 2.96Å; R679-A681 VanDerWaalsContact C-N 3.33Å; R679-A681 PolarHBondContact O-N 3.46Å; R679-T682 PolarHBondContact O-N 3.11Å; R679-T682 PolarHBondContact O-OG1 2.72Å; R679-E683 IonicContact CZ-OE1 3.77Å; R679-E683 IonicContact NE-OE1 2.67Å; R679-E683 PolarHBondContact NE-OE1 3.1Å; R679-E683 IonicContact NH2-OE1 3.88Å; R679-E683 PolarHBondContact NH2-OE1 3.15Å; R679-E683 WeakPolarHBondContact O-CA 3.5Å; R679-E683 WeakPolarHBondContact O-CB 3.42Å; R679-E683 WeakPolarHBondContact O-CG 3.47Å; R679-E683 PolarHBondContact O-N 3.18Å
680I96Very high94.6Very high2 Ų242.1 Ų42.11%0.0123%0.225CC..Iπ-helixtrans-60.7-46.1173.9-62.9164000109.9L666 K676 I677 T682 I684 Y685 V713 M715L666-I680 HydrophobicContact CD2-CG1 3.92Å; K676-I680 WeakPolarHBondContact O-CG1 3.33Å; K676-I680 PolarHBondContact O-N 3.48Å; I677-I680 PolarHBondContact O-N 2.89Å; I680-T682 PolarHBondContact O-N 3.49Å; I680-I684 HydrophobicContact CG2-CB 4.29Å; I680-I684 HydrophobicContact CG2-CG1 4.36Å; I680-I684 WeakPolarHBondContact O-CA 3.45Å; I680-I684 VanDerWaalsContact O-CB 3.23Å; I680-I684 WeakPolarHBondContact O-CB 3.48Å; I680-I684 PolarHBondContact O-N 3.35Å; I680-Y685 HydrophobicContact CG2-CD2 4.38Å; I680-Y685 HydrophobicContact CG2-CE1 4.42Å; I680-Y685 HydrophobicContact CG2-CE2 3.69Å; I680-Y685 PolarHBondContact O-N 3.21Å; I680-V713 HydrophobicContact CD1-CB 3.91Å; I680-V713 HydrophobicContact CD1-CG1 4.07Å; I680-M715 HydrophobicContact CB-CG 4.47Å; I680-M715 HydrophobicContact CD1-CG 4.22Å; I680-M715 HydrophobicContact CG2-CG 3.78Å
681A95.6Very high95Very high0 Ų042.9 Ų42.90%022%0.217CC..Iπ-helixtrans-60.2-45.9-179.900000113.1I677 E678 R679 Y685 G686 A687 V690 L737I677-A681 WeakPolarHBondContact O-CB 3.43Å; I677-A681 PolarHBondContact O-N 3.14Å; E678-A681 PolarHBondContact O-N 3.09Å; R679-A681 VanDerWaalsContact C-N 3.33Å; R679-A681 PolarHBondContact O-N 3.46Å; A681-Y685 CarbonylContact O-C 3.54Å; A681-Y685 WeakPolarHBondContact O-CA 3.31Å; A681-Y685 VanDerWaalsContact O-CB 3.29Å; A681-Y685 WeakPolarHBondContact O-CB 3.27Å; A681-Y685 PolarHBondContact O-N 3.39Å; A681-G686 PolarHBondContact O-N 3.38Å; A681-G686 VanDerWaalsContact O-N 3.07Å; A681-A687 HydrophobicContact CB-CB 4.23Å; A681-A687 WeakPolarHBondContact O-CB 3.25Å; A681-A687 PolarHBondContact O-N 2.84Å; A681-V690 HydrophobicContact CB-CG2 3.43Å; A681-V690 VanDerWaalsContact CB-CG2 3.43Å; A681-L737 HydrophobicContact CB-CD2 3.65Å
682T95.3Very high95.3Very high62 Ų6242.4 Ų42.438%0.3821%0.214SC..Iπ-helixtrans-80.7-44.4-175.953.50000112.2E678 R679 I680 G686 A687E678-T682 WeakPolarHBondContact O-CB 3.32Å; E678-T682 VanDerWaalsContact O-CG2 3.28Å; E678-T682 WeakPolarHBondContact O-CG2 3.45Å; E678-T682 PolarHBondContact O-N 2.9Å; E678-T682 PolarHBondContact O-OG1 2.82Å; R679-T682 PolarHBondContact O-N 3.11Å; R679-T682 PolarHBondContact O-OG1 2.72Å; I680-T682 PolarHBondContact O-N 3.49Å; T682-G686 WeakPolarHBondContact O-CA 3.46Å; T682-G686 PolarHBondContact O-N 3.39Å; T682-A687 WeakPolarHBondContact CA-O 3.25Å; T682-A687 WeakPolarHBondContact CG2-O 3.24Å
683E94.8Very high95.5Very high49 Ų4941.5 Ų41.523%0.22921%0.208CC..Iπ-helixtrans-87.2-29-171.7-58.3-162.3-127.400113.9K597 L666 R679K597-E683 HydrophobicContact CD-CB 4.2Å; K597-E683 VanDerWaalsContact CE-O 3.32Å; K597-E683 WeakPolarHBondContact CE-O 3.41Å; K597-E683 IonicContact NZ-OE2 3.71Å; K597-E683 PolarHBondContact NZ-OE2 3.05Å; L666-E683 HydrophobicContact CD1-CB 4.06Å; L666-E683 HydrophobicContact CD1-CG 4.49Å; R679-E683 IonicContact CZ-OE1 3.77Å; R679-E683 IonicContact NE-OE1 2.67Å; R679-E683 PolarHBondContact NE-OE1 3.1Å; R679-E683 IonicContact NH2-OE1 3.88Å; R679-E683 PolarHBondContact NH2-OE1 3.15Å; R679-E683 WeakPolarHBondContact O-CA 3.5Å; R679-E683 WeakPolarHBondContact O-CB 3.42Å; R679-E683 WeakPolarHBondContact O-CG 3.47Å; R679-E683 PolarHBondContact O-N 3.18Å
684I96Very high95.5Very high0 Ų046.6 Ų46.60%024%0.235CC..Iπ-helixtrans-103.9-41.1-179.8-52.7-61.1000111.1D525 E529 H590 C594 F598 L666 I680D525-I684 HydrophobicContact CB-CG2 4.14Å; E529-I684 HydrophobicContact CB-CG2 4.49Å; E529-I684 HydrophobicContact CG-CG1 4.21Å; H590-I684 PolarHBondContact NE2-O 2.69Å; C594-I684 HydrophobicContact CB-CD1 4.3Å; F598-I684 HydrophobicContact CE2-CD1 4Å; L666-I684 HydrophobicContact CD1-CD1 4.46Å; L666-I684 HydrophobicContact CD2-CD1 4Å; L666-I684 HydrophobicContact CD2-CG1 3.63Å; I680-I684 HydrophobicContact CG2-CB 4.29Å; I680-I684 HydrophobicContact CG2-CG1 4.36Å; I680-I684 WeakPolarHBondContact O-CA 3.45Å; I680-I684 VanDerWaalsContact O-CB 3.23Å; I680-I684 WeakPolarHBondContact O-CB 3.48Å; I680-I684 PolarHBondContact O-N 3.35Å
685Y96.1Very high95.5Very high1 Ų145.4 Ų45.40%0.00424%0.238CC..SBendtrans-94-15.9-178.2-49.4-35.8000114.1D525 I680 A681 A687 M715 K717 I722 Y735 L737D525-Y685 HydrophobicContact CB-CD1 4.18Å; D525-Y685 HydrophobicContact CB-CE1 3.99Å; D525-Y685 WeakPolarHBondContact O-CE1 3.44Å; D525-Y685 PolarHBondContact O-OH 3.34Å; I680-Y685 HydrophobicContact CG2-CD2 4.38Å; I680-Y685 HydrophobicContact CG2-CE1 4.42Å; I680-Y685 HydrophobicContact CG2-CE2 3.69Å; I680-Y685 PolarHBondContact O-N 3.21Å; A681-Y685 CarbonylContact O-C 3.54Å; A681-Y685 WeakPolarHBondContact O-CA 3.31Å; A681-Y685 VanDerWaalsContact O-CB 3.29Å; A681-Y685 WeakPolarHBondContact O-CB 3.27Å; A681-Y685 PolarHBondContact O-N 3.39Å; Y685-A687 PolarHBondContact O-N 3.32Å; Y685-M715 HydrophobicContact CE2-CB 4.19Å; Y685-M715 HydrophobicContact CE2-CE 4.07Å; Y685-M715 HydrophobicContact CE2-CG 4.06Å; Y685-M715 WeakPolarHBondContact OH-CB 3.24Å; Y685-K717 HydrophobicContact CD1-CD 4.26Å; Y685-K717 HydrophobicContact CD2-CD 4.47Å; Y685-K717 HydrophobicContact CE1-CD 3.72Å; Y685-K717 HydrophobicContact CE2-CD 3.95Å; Y685-I722 VanDerWaalsContact O-CG2 3.26Å; Y685-I722 WeakPolarHBondContact O-CG2 3.49Å; Y685-Y735 VanDerWaalsContact CB-OH 3.26Å; Y685-Y735 WeakPolarHBondContact CB-OH 3.47Å; Y685-Y735 PolarHBondContact O-OH 3.47Å; Y685-L737 HydrophobicContact CD2-CD2 4.17Å
686G93.9Very high95.4Very high19 Ų1943.1 Ų43.120%0.19622%0.224CC..  trans67.320.1-174.900000113.4A681 T682A681-G686 PolarHBondContact O-N 3.38Å; A681-G686 VanDerWaalsContact O-N 3.07Å; T682-G686 WeakPolarHBondContact O-CA 3.46Å; T682-G686 PolarHBondContact O-N 3.39Å
687A95.7Very high95.4Very high5 Ų547 Ų474%0.04124%0.243CC..  trans-68.6147.1170.800000109.8A681 T682 Y685 Y735 L737A681-A687 HydrophobicContact CB-CB 4.23Å; A681-A687 WeakPolarHBondContact O-CB 3.25Å; A681-A687 PolarHBondContact O-N 2.84Å; T682-A687 WeakPolarHBondContact CA-O 3.25Å; T682-A687 WeakPolarHBondContact CG2-O 3.24Å; Y685-A687 PolarHBondContact O-N 3.32Å; A687-Y735 WeakPolarHBondContact CA-O 3.49Å; A687-Y735 HydrophobicContact CB-CD2 4.27Å; A687-Y735 HydrophobicContact CB-CE2 3.77Å; A687-L737 HydrophobicContact CB-CB 4.06Å
688E95.8Very high95.2Very high138 Ų13853.6 Ų53.665%0.64527%0.272SS*.SBendtrans-82.9-40.2177.6-172175.3176.800111.2Y735E688-Y735 PolarHBondContact N-O 3.47Å
689T95.6Very high95Very high70 Ų7051.9 Ų51.943%0.42927%0.269SS..EExtended strand (participates in β ladder)trans-143.4165.9-179.864.60000111.4T736 L737T689-T736 WeakPolarHBondContact O-CA 3.15Å; T689-T736 WeakPolarHBondContact OG1-CG2 3.13Å; T689-T736 PolarHBondContact OG1-OG1 2.66Å; T689-T736 VanDerWaalsContact OG1-OG1 3.11Å; T689-L737 PolarHBondContact O-N 2.74Å
690V96.6Very high94.8Very high20 Ų2050.3 Ų50.312%0.12126%0.264CS..EExtended strand (participates in β ladder)trans-116.7127.2172.8-175.80000108.6I677 E678 A681 Y692 L737 L739I677-V690 HydrophobicContact CG2-CG1 4.07Å; I677-V690 HydrophobicContact CG2-CG2 4.4Å; E678-V690 HydrophobicContact CG-CG2 4.21Å; A681-V690 HydrophobicContact CB-CG2 3.43Å; A681-V690 VanDerWaalsContact CB-CG2 3.43Å; V690-Y692 HydrophobicContact CB-CD2 4.47Å; V690-Y692 HydrophobicContact CB-CE2 3.74Å; V690-Y692 HydrophobicContact CG1-CD2 4.17Å; V690-Y692 HydrophobicContact CG1-CE1 4.1Å; V690-Y692 HydrophobicContact CG1-CE2 3.66Å; V690-Y692 WeakPolarHBondContact O-CD2 3.33Å; V690-L737 WeakPolarHBondContact CA-O 3.32Å; V690-L737 HydrophobicContact CG2-CB 4.39Å; V690-L737 HydrophobicContact CG2-CD2 4.42Å; V690-L739 HydrophobicContact CG1-CB 4.18Å
691E96.2Very high94.7Very high113 Ų11354 Ų5453%0.52829%0.287SS..EExtended strand (participates in β ladder)trans-97.2120.9174.5-176.6-172.4-179.700109.3T736 L737 L739E691-T736 HydrophobicContact CB-CG2 3.7Å; E691-L737 PolarHBondContact N-O 3.37Å; E691-L739 PolarHBondContact O-N 2.68Å
692Y96.7Very high94.3Very high30 Ų3056.2 Ų56.212%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-100.7125.4-177.9-64-94.6000110.7R674 I677 E678 V690 V696 M700 L739R674-Y692 HydrophobicContact CG-CE2 4.46Å; R674-Y692 PolarHBondContact O-OH 3.17Å; I677-Y692 HydrophobicContact CD1-CE1 4.28Å; I677-Y692 HydrophobicContact CG2-CE1 4.32Å; E678-Y692 WeakPolarHBondContact CG-OH 2.92Å; V690-Y692 HydrophobicContact CB-CD2 4.47Å; V690-Y692 HydrophobicContact CB-CE2 3.74Å; V690-Y692 HydrophobicContact CG1-CD2 4.17Å; V690-Y692 HydrophobicContact CG1-CE1 4.1Å; V690-Y692 HydrophobicContact CG1-CE2 3.66Å; V690-Y692 WeakPolarHBondContact O-CD2 3.33Å; Y692-V696 HydrophobicContact CD1-CG1 3.85Å; Y692-M700 HydrophobicContact CD1-SD 4.03Å; Y692-M700 HydrophobicContact CE1-SD 4.05Å; Y692-L739 HydrophobicContact CD1-CD2 3.85Å; Y692-L739 HydrophobicContact CE1-CD2 3.75Å
693S95.6Very high94.1Very high30 Ų3054.6 Ų54.621%0.2129%0.29CS..PPolyproline II helixtrans-66.7157.7170.578.60000111.6D695 V696 M697 L739 R740S693-D695 PolarHBondContact O-N 3.29Å; S693-V696 PolarHBondContact O-N 3.05Å; S693-V696 VanDerWaalsContact OG-CG2 3.27Å; S693-V696 WeakPolarHBondContact OG-CG2 3.27Å; S693-V696 PolarHBondContact OG-N 2.85Å; S693-V696 VanDerWaalsContact OG-N 3.13Å; S693-M697 PolarHBondContact O-N 3.09Å; S693-L739 PolarHBondContact N-O 3.38Å; S693-L739 VanDerWaalsContact N-O 3.13Å; S693-R740 PolarHBondContact OG-O 3.22Å
694L94.3Very high93.9Very high126 Ų12659.3 Ų59.366%0.6631%0.309SS*.Hα-helixtrans-57.1-38.7174.5-72.9169.9000111.9M697 K698L694-M697 HydrophobicContact CD2-CE 3.8Å; L694-M697 HydrophobicContact CG-CE 4.45Å; L694-M697 PolarHBondContact O-N 3.49Å; L694-K698 WeakPolarHBondContact O-CG 3.2Å; L694-K698 PolarHBondContact O-N 3.1Å
695D92.6Very high93.5Very high107 Ų10766.6 Ų66.657%0.57234%0.344SS*.Hα-helixtrans-69.9-37.4-179.3-62.4-32.6000111.8S693 K698 A699S693-D695 PolarHBondContact O-N 3.29Å; D695-K698 PolarHBondContact O-N 2.8Å; D695-K698 IonicContact OD1-NZ 3.93Å; D695-A699 WeakPolarHBondContact O-CB 3.39Å; D695-A699 PolarHBondContact O-N 2.99Å
696V94.8Very high92.9Very high0 Ų069.9 Ų69.90%036%0.361CS..Hα-helixtrans-62.6-45.2172.7168.80000110.8Y692 S693 K698 A699 M700 L739 R740 I742Y692-V696 HydrophobicContact CD1-CG1 3.85Å; S693-V696 PolarHBondContact O-N 3.05Å; S693-V696 VanDerWaalsContact OG-CG2 3.27Å; S693-V696 WeakPolarHBondContact OG-CG2 3.27Å; S693-V696 PolarHBondContact OG-N 2.85Å; S693-V696 VanDerWaalsContact OG-N 3.13Å; V696-K698 VanDerWaalsContact C-N 3.32Å; V696-K698 PolarHBondContact O-N 2.91Å; V696-A699 PolarHBondContact O-N 2.78Å; V696-M700 HydrophobicContact CG1-CG 4.21Å; V696-M700 HydrophobicContact CG1-SD 3.82Å; V696-M700 WeakPolarHBondContact O-CB 3.11Å; V696-M700 VanDerWaalsContact O-CG 3.22Å; V696-M700 WeakPolarHBondContact O-CG 3.37Å; V696-M700 PolarHBondContact O-N 3.48Å; V696-L739 HydrophobicContact CG1-CD2 3.71Å; V696-L739 HydrophobicContact CG1-CG 4.07Å; V696-L739 HydrophobicContact CG2-CG 4.15Å; V696-R740 VanDerWaalsContact CG2-C 3.45Å; V696-R740 WeakPolarHBondContact CG2-O 3.26Å; V696-I742 HydrophobicContact CG1-CG2 4.25Å; V696-I742 HydrophobicContact CG2-CB 4.5Å; V696-I742 HydrophobicContact CG2-CG2 4.42Å
697M94.2Very high92.6Very high87 Ų8771.4 Ų71.443%0.42938%0.377SS..Hα-helixtrans-61.5-40.5178-70.7-173.2-73.900112.2S693 L694 M700 T701S693-M697 PolarHBondContact O-N 3.09Å; L694-M697 HydrophobicContact CD2-CE 3.8Å; L694-M697 HydrophobicContact CG-CE 4.45Å; L694-M697 PolarHBondContact O-N 3.49Å; M697-M700 PolarHBondContact O-N 2.93Å; M697-T701 PolarHBondContact O-N 3.01Å; M697-T701 VanDerWaalsContact O-N 3.15Å; M697-T701 PolarHBondContact O-OG1 3.25Å
698K92.1Very high92.1Very high141 Ų14173.7 Ų73.761%0.61339%0.387SS*.Hα-helixtrans-62.6-46.9174.3-71.3172.2-175.1169.40111.8L694 D695 V696 M700 T701 C702L694-K698 WeakPolarHBondContact O-CG 3.2Å; L694-K698 PolarHBondContact O-N 3.1Å; D695-K698 PolarHBondContact O-N 2.8Å; D695-K698 IonicContact OD1-NZ 3.93Å; V696-K698 VanDerWaalsContact C-N 3.32Å; V696-K698 PolarHBondContact O-N 2.91Å; K698-M700 VanDerWaalsContact C-N 3.34Å; K698-M700 PolarHBondContact O-N 3.33Å; K698-T701 WeakPolarHBondContact O-CB 3.33Å; K698-T701 PolarHBondContact O-N 3.36Å; K698-C702 PolarHBondContact O-N 2.81Å; K698-C702 VanDerWaalsContact O-N 3.07Å
699A90.8Very high91.8Very high26 Ų2668 Ų6822%0.21536%0.362CS..Hα-helixtrans-62.4-40.8178.500000111.9D695 V696 T701 C702 F703 I742D695-A699 WeakPolarHBondContact O-CB 3.39Å; D695-A699 PolarHBondContact O-N 2.99Å; V696-A699 PolarHBondContact O-N 2.78Å; A699-T701 VanDerWaalsContact C-N 3.32Å; A699-T701 PolarHBondContact O-N 3.07Å; A699-C702 WeakPolarHBondContact O-CB 3.44Å; A699-C702 PolarHBondContact O-N 3.48Å; A699-F703 VanDerWaalsContact O-CD1 3.31Å; A699-F703 WeakPolarHBondContact O-CD1 3.44Å; A699-F703 VanDerWaalsContact O-CG 3.24Å; A699-F703 WeakPolarHBondContact O-CG 3.38Å; A699-F703 PolarHBondContact O-N 3.26Å; A699-I742 HydrophobicContact CB-CG2 3.44Å; A699-I742 VanDerWaalsContact CB-CG2 3.44Å
700M93.2Very high91.5Very high31 Ų3169.7 Ų69.715%0.15336%0.363CS..Hα-helixtrans-62.2-37.5176-71178.167.900112.7L673 R674 Y692 V696 M697 K698 F703 K704 I742L673-M700 HydrophobicContact CB-CE 4.11Å; L673-M700 HydrophobicContact CD2-CB 4.38Å; L673-M700 HydrophobicContact CD2-CE 4.13Å; L673-M700 HydrophobicContact CD2-CG 3.83Å; L673-M700 HydrophobicContact CG-CE 3.92Å; R674-M700 HydrophobicContact CB-CE 3.79Å; Y692-M700 HydrophobicContact CD1-SD 4.03Å; Y692-M700 HydrophobicContact CE1-SD 4.05Å; V696-M700 HydrophobicContact CG1-CG 4.21Å; V696-M700 HydrophobicContact CG1-SD 3.82Å; V696-M700 WeakPolarHBondContact O-CB 3.11Å; V696-M700 VanDerWaalsContact O-CG 3.22Å; V696-M700 WeakPolarHBondContact O-CG 3.37Å; V696-M700 PolarHBondContact O-N 3.48Å; M697-M700 PolarHBondContact O-N 2.93Å; K698-M700 VanDerWaalsContact C-N 3.34Å; K698-M700 PolarHBondContact O-N 3.33Å; M700-F703 PolarHBondContact O-N 3.28Å; M700-K704 PolarHBondContact O-N 3.41Å; M700-K704 VanDerWaalsContact O-N 3.09Å; M700-I742 HydrophobicContact CG-CD1 4.21Å
701T91.9Very high91.2Very high79 Ų7973.3 Ų73.349%0.48538%0.381SS..Hα-helixtrans-63-48.1172.4-60.60000111M697 K698 A699 F703 K704 E705M697-T701 PolarHBondContact O-N 3.01Å; M697-T701 VanDerWaalsContact O-N 3.15Å; M697-T701 PolarHBondContact O-OG1 3.25Å; K698-T701 WeakPolarHBondContact O-CB 3.33Å; K698-T701 PolarHBondContact O-N 3.36Å; A699-T701 VanDerWaalsContact C-N 3.32Å; A699-T701 PolarHBondContact O-N 3.07Å; T701-F703 VanDerWaalsContact C-N 3.32Å; T701-F703 PolarHBondContact O-N 3.28Å; T701-K704 WeakPolarHBondContact O-CB 3.48Å; T701-K704 PolarHBondContact O-N 2.81Å; T701-K704 VanDerWaalsContact O-N 3.14Å; T701-E705 WeakPolarHBondContact O-CG 3.28Å; T701-E705 PolarHBondContact O-N 2.99Å
702C87.9Confident91.1Very high47 Ų4770.6 Ų70.632%0.31837%0.373SS..Hα-helixtrans-58.3-42.9176.2-178.30000111.7K698 A699 K704 E705 L706K698-C702 PolarHBondContact O-N 2.81Å; K698-C702 VanDerWaalsContact O-N 3.07Å; A699-C702 WeakPolarHBondContact O-CB 3.44Å; A699-C702 PolarHBondContact O-N 3.48Å; C702-K704 VanDerWaalsContact C-N 3.29Å; C702-K704 PolarHBondContact O-N 3.41Å; C702-E705 WeakPolarHBondContact O-CB 3.33Å; C702-E705 PolarHBondContact O-N 2.88Å; C702-E705 VanDerWaalsContact O-N 3.16Å; C702-L706 WeakPolarHBondContact O-CB 3.12Å; C702-L706 WeakPolarHBondContact O-CG 3.1Å; C702-L706 PolarHBondContact O-N 2.8Å
703F90.9Very high91Very high27 Ų2770.1 Ų70.112%0.11837%0.373CS..Hα-helixtrans-63-35.4177.6-69.7-2000112.9L673 A699 M700 T701 G707 I708 D709 I742 A744L673-F703 HydrophobicContact CD2-CD2 4.04Å; A699-F703 VanDerWaalsContact O-CD1 3.31Å; A699-F703 WeakPolarHBondContact O-CD1 3.44Å; A699-F703 VanDerWaalsContact O-CG 3.24Å; A699-F703 WeakPolarHBondContact O-CG 3.38Å; A699-F703 PolarHBondContact O-N 3.26Å; M700-F703 PolarHBondContact O-N 3.28Å; T701-F703 VanDerWaalsContact C-N 3.32Å; T701-F703 PolarHBondContact O-N 3.28Å; F703-G707 PolarHBondContact O-N 2.88Å; F703-G707 VanDerWaalsContact O-N 3.1Å; F703-I708 HydrophobicContact CB-CD1 4.07Å; F703-I708 HydrophobicContact CB-CG1 3.8Å; F703-I708 HydrophobicContact CD1-CD1 3.59Å; F703-I708 HydrophobicContact CD1-CG1 4.27Å; F703-I708 HydrophobicContact CE1-CD1 4.15Å; F703-I708 HydrophobicContact CG-CD1 3.82Å; F703-I708 HydrophobicContact CG-CG1 4.11Å; F703-I708 VanDerWaalsContact O-CG1 3.25Å; F703-I708 WeakPolarHBondContact O-CG1 3.48Å; F703-I708 PolarHBondContact O-N 3.44Å; F703-D709 PolarHBondContact O-N 2.75Å; F703-I742 HydrophobicContact CD2-CD1 4.26Å; F703-I742 HydrophobicContact CE2-CB 4.46Å; F703-I742 HydrophobicContact CE2-CD1 3.94Å; F703-I742 HydrophobicContact CE2-CG1 3.92Å; F703-I742 HydrophobicContact CE2-CG2 3.95Å; F703-I742 HydrophobicContact CZ-CG2 4.36Å; F703-A744 HydrophobicContact CD1-CB 4.19Å; F703-A744 HydrophobicContact CE1-CB 3.59Å; F703-A744 HydrophobicContact CE2-CB 4.01Å; F703-A744 HydrophobicContact CZ-CB 3.5Å; F703-A744 VanDerWaalsContact CZ-CB 3.5Å
704K90.6Very high91Very high148 Ų14872.6 Ų72.664%0.64339%0.39SS*.Hα-helixtrans-68.6-41.5173.9-173.4-179.4178.2-176.20111.7M700 T701 C702 L706 G707 D709M700-K704 PolarHBondContact O-N 3.41Å; M700-K704 VanDerWaalsContact O-N 3.09Å; T701-K704 WeakPolarHBondContact O-CB 3.48Å; T701-K704 PolarHBondContact O-N 2.81Å; T701-K704 VanDerWaalsContact O-N 3.14Å; C702-K704 VanDerWaalsContact C-N 3.29Å; C702-K704 PolarHBondContact O-N 3.41Å; K704-L706 VanDerWaalsContact C-N 3.3Å; K704-L706 PolarHBondContact O-N 2.8Å; K704-G707 PolarHBondContact O-N 2.98Å; K704-G707 VanDerWaalsContact O-N 3.15Å; K704-D709 HydrophobicContact CB-CB 4.36Å
705E87.9Confident91Very high154 Ų15467.4 Ų67.472%0.7236%0.362SS*.Hα-helixtrans-64.1-36.2175.5-69.8169.9177.400112.1T701 C702 G707T701-E705 WeakPolarHBondContact O-CG 3.28Å; T701-E705 PolarHBondContact O-N 2.99Å; C702-E705 WeakPolarHBondContact O-CB 3.33Å; C702-E705 PolarHBondContact O-N 2.88Å; C702-E705 VanDerWaalsContact O-N 3.16Å; E705-G707 VanDerWaalsContact C-N 3.28Å; E705-G707 PolarHBondContact O-N 3.11Å
706L83.9Confident91Very high70 Ų7067 Ų6737%0.36637%0.374SS..THydrogen-bonded Turntrans-79.2-5.7174.8-66.6176.9000113.7P469 C702 K704 I708P469-L706 HydrophobicContact CG-CD2 4.03Å; C702-L706 WeakPolarHBondContact O-CB 3.12Å; C702-L706 WeakPolarHBondContact O-CG 3.1Å; C702-L706 PolarHBondContact O-N 2.8Å; K704-L706 VanDerWaalsContact C-N 3.3Å; K704-L706 PolarHBondContact O-N 2.8Å; L706-I708 VanDerWaalsContact C-N 3.29Å; L706-I708 HydrophobicContact CB-CD1 4.48Å; L706-I708 HydrophobicContact CB-CG1 4.05Å; L706-I708 PolarHBondContact O-N 2.84Å
707G86.8Confident90.9Very high51 Ų5168.6 Ų68.653%0.52638%0.381SS..THydrogen-bonded Turntrans72.614.7179.100000115.4F703 K704 E705F703-G707 PolarHBondContact O-N 2.88Å; F703-G707 VanDerWaalsContact O-N 3.1Å; K704-G707 PolarHBondContact O-N 2.98Å; K704-G707 VanDerWaalsContact O-N 3.15Å; E705-G707 VanDerWaalsContact C-N 3.28Å; E705-G707 PolarHBondContact O-N 3.11Å
708I86.9Confident90.7Very high52 Ų5267.1 Ų67.127%0.26737%0.374SS..  trans-98-0.5-177.956.8164.6000113.3F703 L706 K710 L711 A744F703-I708 HydrophobicContact CB-CD1 4.07Å; F703-I708 HydrophobicContact CB-CG1 3.8Å; F703-I708 HydrophobicContact CD1-CD1 3.59Å; F703-I708 HydrophobicContact CD1-CG1 4.27Å; F703-I708 HydrophobicContact CE1-CD1 4.15Å; F703-I708 HydrophobicContact CG-CD1 3.82Å; F703-I708 HydrophobicContact CG-CG1 4.11Å; F703-I708 VanDerWaalsContact O-CG1 3.25Å; F703-I708 WeakPolarHBondContact O-CG1 3.48Å; F703-I708 PolarHBondContact O-N 3.44Å; L706-I708 VanDerWaalsContact C-N 3.29Å; L706-I708 HydrophobicContact CB-CD1 4.48Å; L706-I708 HydrophobicContact CB-CG1 4.05Å; L706-I708 PolarHBondContact O-N 2.84Å; I708-K710 PolarHBondContact O-N 2.75Å; I708-L711 HydrophobicContact CB-CD1 4.03Å; I708-L711 HydrophobicContact CB-CG 4.46Å; I708-L711 HydrophobicContact CG2-CD1 4.39Å; I708-L711 WeakPolarHBondContact O-CB 3.5Å; I708-L711 WeakPolarHBondContact O-CG 3.35Å; I708-L711 PolarHBondContact O-N 2.65Å; I708-L711 VanDerWaalsContact O-N 3.11Å; I708-A744 HydrophobicContact CD1-CB 3.34Å
709D89Confident90.7Very high19 Ų1963.3 Ų63.310%0.10236%0.36CS..THydrogen-bonded Turntrans-62.3-13.7175.775-60.2000113.7L673 K676 F703 K704L673-D709 HydrophobicContact CB-CB 4.37Å; K676-D709 PolarHBondContact NZ-O 2.8Å; F703-D709 PolarHBondContact O-N 2.75Å; K704-D709 HydrophobicContact CB-CB 4.36Å
710K88.9Confident90.7Very high105 Ų10565 Ų6546%0.45737%0.365SS..THydrogen-bonded Turntrans-84.2-11.8177.6-56.7-49.8179-1500114.2K676 I708K676-K710 PolarHBondContact NZ-O 3.25Å; I708-K710 PolarHBondContact O-N 2.75Å
711L91.2Very high90.7Very high96 Ų9663.5 Ų63.550%0.50336%0.358SS..SBendtrans-62.4156.5176.8-63.9177.8000112.3K676 I708K676-L711 PolarHBondContact NZ-O 2.93Å; I708-L711 HydrophobicContact CB-CD1 4.03Å; I708-L711 HydrophobicContact CB-CG 4.46Å; I708-L711 HydrophobicContact CG2-CD1 4.39Å; I708-L711 WeakPolarHBondContact O-CB 3.5Å; I708-L711 WeakPolarHBondContact O-CG 3.35Å; I708-L711 PolarHBondContact O-N 2.65Å; I708-L711 VanDerWaalsContact O-N 3.11Å
712P93.1Very high90.8Very high57 Ų5759.8 Ų59.837%0.3734%0.335SS..PPolyproline II helixtrans-61.3156.1168.4-2234.7000111.9I534I534-P712 HydrophobicContact CG1-CB 4Å
713V94.4Very high91Very high19 Ų1957.6 Ų57.612%0.11532%0.32CS..PPolyproline II helixtrans-99.5132-180177.60000109.5L673 K676 I677 I680 M715L673-V713 HydrophobicContact CD1-CG2 3.56Å; K676-V713 HydrophobicContact CB-CG2 3.74Å; K676-V713 HydrophobicContact CD-CG2 4.09Å; I677-V713 HydrophobicContact CG1-CG1 4.05Å; I677-V713 HydrophobicContact CG1-CG2 4.29Å; I680-V713 HydrophobicContact CD1-CB 3.91Å; I680-V713 HydrophobicContact CD1-CG1 4.07Å; V713-M715 HydrophobicContact CG1-CG 4.19Å; V713-M715 HydrophobicContact CG1-SD 3.66Å
714C94.9Very high90.9Very high82 Ų8259.8 Ų59.855%0.55433%0.332SS*.  trans-111.6102172.4-177.60000109.4K530 I534 A716K530-C714 WeakPolarHBondContact CE-SG 3.12Å; K530-C714 PolarHBondContact NZ-SG 3.23Å; K530-C714 VanDerWaalsContact NZ-SG 3.38Å; I534-C714 HydrophobicContact CD1-CB 3.92Å; C714-A716 PolarHBondContact O-N 3.4Å
715M94.8Very high90.8Very high17 Ų1755.7 Ų55.78%0.08432%0.317CS..  trans-73.7123.9-179.2-64.7-59.2-76.500111.5K530 I680 Y685 V713 L737K530-M715 VanDerWaalsContact CE-O 3.24Å; K530-M715 WeakPolarHBondContact CE-O 3.4Å; K530-M715 PolarHBondContact NZ-O 3.25Å; I680-M715 HydrophobicContact CB-CG 4.47Å; I680-M715 HydrophobicContact CD1-CG 4.22Å; I680-M715 HydrophobicContact CG2-CG 3.78Å; Y685-M715 HydrophobicContact CE2-CB 4.19Å; Y685-M715 HydrophobicContact CE2-CE 4.07Å; Y685-M715 HydrophobicContact CE2-CG 4.06Å; Y685-M715 WeakPolarHBondContact OH-CB 3.24Å; V713-M715 HydrophobicContact CG1-CG 4.19Å; V713-M715 HydrophobicContact CG1-SD 3.66Å; M715-L737 HydrophobicContact CE-CD2 3.75Å
716A92.6Very high90.9Very high99 Ų9951.2 Ų51.282%0.81830%0.301SS*.  trans-100.910917400000110C714C714-A716 PolarHBondContact O-N 3.4Å
717K92.5Very high91.1Very high33 Ų3356.1 Ų56.114%0.14332%0.319CS..  trans-143168.7-177.359.6173.5-72.7-71.70112.7D525 I526 Y685 S721 I722 S723 M724D525-K717 IonicContact OD2-NZ 3.19Å; D525-K717 PolarHBondContact OD2-NZ 3.36Å; I526-K717 HydrophobicContact CD1-CD 4.42Å; I526-K717 HydrophobicContact CD1-CG 3.89Å; I526-K717 HydrophobicContact CG1-CD 4.24Å; I526-K717 HydrophobicContact CG1-CG 4.03Å; Y685-K717 HydrophobicContact CD1-CD 4.26Å; Y685-K717 HydrophobicContact CD2-CD 4.47Å; Y685-K717 HydrophobicContact CE1-CD 3.72Å; Y685-K717 HydrophobicContact CE2-CD 3.95Å; K717-S721 PolarHBondContact NZ-O 3.07Å; K717-I722 WeakPolarHBondContact CE-O 3.42Å; K717-I722 PolarHBondContact NZ-O 2.86Å; K717-S723 WeakPolarHBondContact CE-O 3.39Å; K717-S723 PolarHBondContact NZ-O 3.13Å; K717-M724 HydrophobicContact CB-CE 3.82Å; K717-M724 HydrophobicContact CB-SD 3.26Å; K717-M724 WeakPolarHBondContact CB-SD 3.31Å; K717-M724 HydrophobicContact CD-SD 4.47Å; K717-M724 HydrophobicContact CG-SD 4.46Å
718I90.6Very high91.3Very high57 Ų5757 Ų5729%0.29231%0.312SS..  trans-61.8140.7170.8-165.4163.5000110.5L720 P726I718-L720 HydrophobicContact CG1-CB 4.43Å; I718-P726 HydrophobicContact CD1-CB 3.7Å; I718-P726 HydrophobicContact CD1-CG 3.76Å
719L91.3Very high91.6Very high61 Ų6157.1 Ų57.132%0.31931%0.313SS..SBendtrans-87.3-14.2-17664.990.4000114.3T271 P272 F522 I526T271-L719 WeakPolarHBondContact CG2-O 3.41Å; P272-L719 HydrophobicContact CB-CD1 3.75Å; P272-L719 WeakPolarHBondContact CD-O 3.32Å; P272-L719 HydrophobicContact CG-CD1 4.15Å; F522-L719 HydrophobicContact CD1-CB 4.05Å; F522-L719 HydrophobicContact CD1-CD2 3.93Å; F522-L719 HydrophobicContact CD1-CG 4.5Å; F522-L719 HydrophobicContact CE1-CB 4.5Å; F522-L719 HydrophobicContact CE1-CD2 3.67Å; F522-L719 HydrophobicContact CG-CB 4.49Å; I526-L719 HydrophobicContact CD1-CB 4.13Å
720L90.8Very high91.8Very high61 Ų6156.5 Ų56.532%0.31931%0.311SS..SBendtrans-87.4-9.8-169.8-65173.4000114.4T271 I718 P726T271-L720 WeakPolarHBondContact CG2-O 3.33Å; I718-L720 HydrophobicContact CG1-CB 4.43Å; L720-P726 HydrophobicContact CB-CB 4.41Å
721S93.6Very high92.1Very high0 Ų053.1 Ų53.10%030%0.303CS..SBendtrans-137.8153.1177.3176.90000108.5K717 S723 D725 L728K717-S721 PolarHBondContact NZ-O 3.07Å; S721-S723 PolarHBondContact O-N 3.24Å; S721-S723 PolarHBondContact OG-N 3.32Å; S721-S723 PolarHBondContact OG-OG 3.06Å; S721-D725 WeakPolarHBondContact CB-O 3.41Å; S721-D725 PolarHBondContact OG-O 3.16Å; S721-L728 WeakPolarHBondContact CB-O 3.38Å; S721-L728 PolarHBondContact OG-O 3.25Å
722I94.7Very high92.3Very high1 Ų149.5 Ų49.51%0.00529%0.285CS..SBendtrans-63.2-30165.9-67.2169.7000110.4N587 H590 Y685 K717 G730 A731N587-I722 WeakPolarHBondContact ND2-CD1 3.43Å; H590-I722 HydrophobicContact CB-CD1 4.2Å; H590-I722 VanDerWaalsContact CD2-CD1 3.45Å; H590-I722 WeakPolarHBondContact CD2-CD1 3.43Å; Y685-I722 VanDerWaalsContact O-CG2 3.26Å; Y685-I722 WeakPolarHBondContact O-CG2 3.49Å; K717-I722 WeakPolarHBondContact CE-O 3.42Å; K717-I722 PolarHBondContact NZ-O 2.86Å; I722-G730 WeakPolarHBondContact CD1-O 3.46Å; I722-A731 HydrophobicContact CD1-CB 4.42Å
723S92.5Very high92.2Very high1 Ų152.4 Ų52.41%0.00730%0.302CS..SBendtrans-85.4-163.2175.680.80000112.4K717 S721 D725 Y735K717-S723 WeakPolarHBondContact CE-O 3.39Å; K717-S723 PolarHBondContact NZ-O 3.13Å; S721-S723 PolarHBondContact O-N 3.24Å; S721-S723 PolarHBondContact OG-N 3.32Å; S721-S723 PolarHBondContact OG-OG 3.06Å; S723-D725 PolarHBondContact OG-N 3.31Å; S723-D725 PolarHBondContact OG-O 3Å; S723-Y735 WeakPolarHBondContact CA-OH 3.41Å
724M87.6Confident92Very high72 Ų7254 Ų5436%0.35532%0.322SS..SBendtrans-95.3-8.2171.9-61.7-59.4-62.400113.7K717 L737K717-M724 HydrophobicContact CB-CE 3.82Å; K717-M724 HydrophobicContact CB-SD 3.26Å; K717-M724 WeakPolarHBondContact CB-SD 3.31Å; K717-M724 HydrophobicContact CD-SD 4.47Å; K717-M724 HydrophobicContact CG-SD 4.46Å; M724-L737 HydrophobicContact CG-CD1 3.37Å; M724-L737 HydrophobicContact SD-CD1 3.91Å
725D89.9Confident92Very high63 Ų6351.6 Ų51.634%0.33730%0.301SS..  trans-104.1115.4-179.7-174.9-10.5000109.9S721 S723 K727 L728S721-D725 WeakPolarHBondContact CB-O 3.41Å; S721-D725 PolarHBondContact OG-O 3.16Å; S723-D725 PolarHBondContact OG-N 3.31Å; S723-D725 PolarHBondContact OG-O 3Å; D725-K727 PolarHBondContact O-N 3.18Å; D725-K727 VanDerWaalsContact OD1-CB 3.25Å; D725-K727 WeakPolarHBondContact OD1-CB 3.22Å; D725-K727 WeakPolarHBondContact OD1-CG 3.47Å; D725-K727 PolarHBondContact OD1-N 3.07Å; D725-L728 HydrophobicContact CB-CB 4.4Å; D725-L728 HydrophobicContact CB-CD1 3.98Å; D725-L728 HydrophobicContact CB-CG 3.91Å; D725-L728 PolarHBondContact O-N 3.4Å
726P88.1Confident92Very high59 Ų5954.1 Ų54.138%0.38332%0.318SS..THydrogen-bonded Turntrans-62.2-14.6178.125-31.9000113.8I718 L720I718-P726 HydrophobicContact CD1-CB 3.7Å; I718-P726 HydrophobicContact CD1-CG 3.76Å; L720-P726 HydrophobicContact CB-CB 4.41Å
727K89.1Confident92.1Very high173 Ų17349.6 Ų49.675%0.75228%0.28SS*.THydrogen-bonded Turntrans-79.8-22.8175.8-59.1176.1-178.7177.80112.8D725 L729D725-K727 PolarHBondContact O-N 3.18Å; D725-K727 VanDerWaalsContact OD1-CB 3.25Å; D725-K727 WeakPolarHBondContact OD1-CB 3.22Å; D725-K727 WeakPolarHBondContact OD1-CG 3.47Å; D725-K727 PolarHBondContact OD1-N 3.07Å; K727-L729 PolarHBondContact O-N 3.2Å
728L91.2Very high92.2Very high70 Ų7050.1 Ų50.137%0.36629%0.287SS..  trans-8492.1178.5-63.9-178.1000109.6S721 D725 P732S721-L728 WeakPolarHBondContact CB-O 3.38Å; S721-L728 PolarHBondContact OG-O 3.25Å; D725-L728 HydrophobicContact CB-CB 4.4Å; D725-L728 HydrophobicContact CB-CD1 3.98Å; D725-L728 HydrophobicContact CB-CG 3.91Å; D725-L728 PolarHBondContact O-N 3.4Å; L728-P732 HydrophobicContact CB-CB 4.07Å; L728-P732 HydrophobicContact CB-CG 4.16Å; L728-P732 HydrophobicContact CD1-CB 4.42Å
729L92.6Very high92.4Very high55 Ų5548.5 Ų48.529%0.28828%0.278SS..  trans-87.1166.9-179-60.2166.6000111.6R557 K727R557-L729 WeakPolarHBondContact O-CD1 3.43Å; K727-L729 PolarHBondContact O-N 3.2Å
730G94Very high92.5Very high6 Ų654.2 Ų54.26%0.06230%0.296CS..SBendtrans79.6-128.9177.200000111.6Q558 N587 I722Q558-G730 PolarHBondContact O-N 3.2Å; N587-G730 PolarHBondContact ND2-O 3.29Å; I722-G730 WeakPolarHBondContact CD1-O 3.46Å
731A95.3Very high92.6Very high34 Ų3457.3 Ų57.328%0.28131%0.308SS..SBendtrans-124.778.9176.500000109.5N586 H590 I722N586-A731 HydrophobicContact CB-CB 4.46Å; H590-A731 HydrophobicContact CB-CB 3.88Å; I722-A731 HydrophobicContact CD1-CB 4.42Å
732P94.3Very high92.5Very high20 Ų2059 Ų5913%0.1332%0.317CS..  trans-65.8147.9-177.328-34.9000111.7L728 Y735L728-P732 HydrophobicContact CB-CB 4.07Å; L728-P732 HydrophobicContact CB-CG 4.16Å; L728-P732 HydrophobicContact CD1-CB 4.42Å; P732-Y735 HydrophobicContact CB-CD1 4.28Å; P732-Y735 HydrophobicContact CB-CE1 4.24Å; P732-Y735 HydrophobicContact CG-CE1 4.16Å; P732-Y735 WeakPolarHBondContact O-CE1 3.42Å
733T92.2Very high92.2Very high118 Ų11866.3 Ų66.372%0.72435%0.349SS*.  trans-137.3162.417957.40000110.5Y735T733-Y735 VanDerWaalsContact C-N 3.34Å; T733-Y735 PolarHBondContact O-N 3.15Å
734G90.7Very high91.7Very high52 Ų5270.9 Ų70.954%0.53639%0.387SS..SBendtrans74.521.617300000114.5
735Y94.3Very high91.9Very high32 Ų3270.8 Ų70.813%0.12539%0.388CS..  trans-107.1156.2175.868.9-85.3000110.9Y685 A687 E688 S723 P732 T733Y685-Y735 VanDerWaalsContact CB-OH 3.26Å; Y685-Y735 WeakPolarHBondContact CB-OH 3.47Å; Y685-Y735 PolarHBondContact O-OH 3.47Å; A687-Y735 WeakPolarHBondContact CA-O 3.49Å; A687-Y735 HydrophobicContact CB-CD2 4.27Å; A687-Y735 HydrophobicContact CB-CE2 3.77Å; E688-Y735 PolarHBondContact N-O 3.47Å; S723-Y735 WeakPolarHBondContact CA-OH 3.41Å; P732-Y735 HydrophobicContact CB-CD1 4.28Å; P732-Y735 HydrophobicContact CB-CE1 4.24Å; P732-Y735 HydrophobicContact CG-CE1 4.16Å; P732-Y735 WeakPolarHBondContact O-CE1 3.42Å; T733-Y735 VanDerWaalsContact C-N 3.34Å; T733-Y735 PolarHBondContact O-N 3.15Å
736T95.1Very high92Very high69 Ų6971.2 Ų71.242%0.42339%0.391SS..EExtended strand (participates in β ladder)trans-94.3133.6174.4-59.80000109.5T689 E691 P738T689-T736 WeakPolarHBondContact O-CA 3.15Å; T689-T736 WeakPolarHBondContact OG1-CG2 3.13Å; T689-T736 PolarHBondContact OG1-OG1 2.66Å; T689-T736 VanDerWaalsContact OG1-OG1 3.11Å; E691-T736 HydrophobicContact CB-CG2 3.7Å; T736-P738 VanDerWaalsContact O-CD 3.25Å; T736-P738 WeakPolarHBondContact O-CD 3.45Å
737L94.5Very high92.3Very high4 Ų471.9 Ų71.92%0.02139%0.391CS..EExtended strand (participates in β ladder)trans-88.4110.4176.4-175.974.5000110.2A681 Y685 A687 T689 V690 E691 M715 M724 L739A681-L737 HydrophobicContact CB-CD2 3.65Å; Y685-L737 HydrophobicContact CD2-CD2 4.17Å; A687-L737 HydrophobicContact CB-CB 4.06Å; T689-L737 PolarHBondContact O-N 2.74Å; V690-L737 WeakPolarHBondContact CA-O 3.32Å; V690-L737 HydrophobicContact CG2-CB 4.39Å; V690-L737 HydrophobicContact CG2-CD2 4.42Å; E691-L737 PolarHBondContact N-O 3.37Å; M715-L737 HydrophobicContact CE-CD2 3.75Å; M724-L737 HydrophobicContact CG-CD1 3.37Å; M724-L737 HydrophobicContact SD-CD1 3.91Å; L737-L739 PolarHBondContact O-N 2.57Å
738P94.5Very high92.4Very high45 Ų4565.9 Ų65.929%0.29237%0.37SS..EExtended strand (participates in β ladder)trans-79.6116.3177.631.3-33.7000110.9T736T736-P738 VanDerWaalsContact O-CD 3.25Å; T736-P738 WeakPolarHBondContact O-CD 3.45Å
739L94.6Very high92.5Very high23 Ų2365.7 Ų65.712%0.1237%0.37CS..EExtended strand (participates in β ladder)trans-97.4106.1172.2-170.863.4000109.7I677 V690 E691 Y692 S693 V696 L737I677-L739 HydrophobicContact CD1-CD2 3.88Å; I677-L739 HydrophobicContact CG2-CD2 4.17Å; V690-L739 HydrophobicContact CG1-CB 4.18Å; E691-L739 PolarHBondContact O-N 2.68Å; Y692-L739 HydrophobicContact CD1-CD2 3.85Å; Y692-L739 HydrophobicContact CE1-CD2 3.75Å; S693-L739 PolarHBondContact N-O 3.38Å; S693-L739 VanDerWaalsContact N-O 3.13Å; V696-L739 HydrophobicContact CG1-CD2 3.71Å; V696-L739 HydrophobicContact CG1-CG 4.07Å; V696-L739 HydrophobicContact CG2-CG 4.15Å; L737-L739 PolarHBondContact O-N 2.57Å
740R93Very high92.5Very high180 Ų18066.4 Ų66.468%0.67938%0.376SS*.  trans-93.8-36.5-171.2-63.9-72.6-179.2172.4-6.4113.7S693 V696S693-R740 PolarHBondContact OG-O 3.22Å; V696-R740 VanDerWaalsContact CG2-C 3.45Å; V696-R740 WeakPolarHBondContact CG2-O 3.26Å
741E92.5Very high92.4Very high126 Ų12670.7 Ų70.759%0.58940%0.398SS*.  trans-145.2150.6-174.6-170.4-177.9-161.400109.4K743E741-K743 WeakPolarHBondContact OE1-CE 3.33Å; E741-K743 IonicContact OE1-NZ 3.39Å; E741-K743 PolarHBondContact OE1-NZ 2.82Å; E741-K743 WeakPolarHBondContact OE2-CE 3.4Å; E741-K743 IonicContact OE2-NZ 2.77Å; E741-K743 PolarHBondContact OE2-NZ 3.37Å
742I91.9Very high92.2Very high37 Ų3773.5 Ų73.519%0.1941%0.407CS..  trans-139.8142172.8-163.2-179.6000109.2L673 I677 V696 A699 M700 F703L673-I742 HydrophobicContact CD1-CD1 4.38Å; L673-I742 HydrophobicContact CD2-CD1 3.8Å; L673-I742 HydrophobicContact CG-CD1 4.37Å; I677-I742 HydrophobicContact CD1-CD1 4.44Å; V696-I742 HydrophobicContact CG1-CG2 4.25Å; V696-I742 HydrophobicContact CG2-CB 4.5Å; V696-I742 HydrophobicContact CG2-CG2 4.42Å; A699-I742 HydrophobicContact CB-CG2 3.44Å; A699-I742 VanDerWaalsContact CB-CG2 3.44Å; M700-I742 HydrophobicContact CG-CD1 4.21Å; F703-I742 HydrophobicContact CD2-CD1 4.26Å; F703-I742 HydrophobicContact CE2-CB 4.46Å; F703-I742 HydrophobicContact CE2-CD1 3.94Å; F703-I742 HydrophobicContact CE2-CG1 3.92Å; F703-I742 HydrophobicContact CE2-CG2 3.95Å; F703-I742 HydrophobicContact CZ-CG2 4.36Å
743K88.3Confident92Very high154 Ų15478 Ų7867%0.6743%0.43SS*.  trans-131154.6-177.7-60.4-175.4-176-179.10109.9E741E741-K743 WeakPolarHBondContact OE1-CE 3.33Å; E741-K743 IonicContact OE1-NZ 3.39Å; E741-K743 PolarHBondContact OE1-NZ 2.82Å; E741-K743 WeakPolarHBondContact OE2-CE 3.4Å; E741-K743 IonicContact OE2-NZ 2.77Å; E741-K743 PolarHBondContact OE2-NZ 3.37Å
744A82.5Confident92Very high96 Ų9674.4 Ų74.479%0.79340%0.404SS*.  trans-123.80175.400000109.9F703 I708F703-A744 HydrophobicContact CD1-CB 4.19Å; F703-A744 HydrophobicContact CE1-CB 3.59Å; F703-A744 HydrophobicContact CE2-CB 4.01Å; F703-A744 HydrophobicContact CZ-CB 3.5Å; F703-A744 VanDerWaalsContact CZ-CB 3.5Å; I708-A744 HydrophobicContact CD1-CB 3.34Å

Retrieved 744 of 744 residues in 741.7 ms (Link to these results)

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