A0A3Q0KBE9_SCHMA Loading...

Similar to cancer susceptibility candidate 1

AlphaFold DB , UniProt , Accession A0A3Q0KBE9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 806 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
1M48.6Very low60.5Low228 Ų228131.2 Ų131.2100%1.12369%0.685SS**  0-25.90-71.8-162.7-130.600114.3G3 R4M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.45Å; M1-R4 PolarHBondContact O-N 2.76Å
2A53Low60.6Low89 Ų89124.9 Ų124.974%0.73666%0.66SS**Hα-helixtrans-61.6-26-178.900000115.8R4A2-R4 PolarHBondContact O-N 2.88Å
3G55.2Low61Low58 Ų58120.5 Ų120.560%0.59865%0.646SS**Hα-helixtrans-71.5-25.7-178.300000115.8M1 K7M1-G3 VanDerWaalsContact C-N 3.29Å; M1-G3 PolarHBondContact O-N 3.45Å; G3-K7 PolarHBondContact O-N 2.69Å
4R57.5Low61.5Low227 Ų227121.2 Ų121.286%0.85764%0.64SS**Hα-helixtrans-78.4-36.6-179.1-89.4-175.2175.1177.6-1.7112.8M1 A2 K8M1-R4 PolarHBondContact O-N 2.76Å; A2-R4 PolarHBondContact O-N 2.88Å; R4-K8 PolarHBondContact O-N 3.21Å; R4-K8 VanDerWaalsContact O-N 3.13Å
5S59Low61.9Low88 Ų88123.5 Ų123.562%0.61564%0.643SS**Hα-helixtrans-70.8-39.2176.7-63.30000112.7K7 K8 N9S5-K7 VanDerWaalsContact C-N 3.32Å; S5-K7 PolarHBondContact O-N 2.86Å; S5-K8 PolarHBondContact O-N 3.45Å; S5-N9 PolarHBondContact O-N 2.75Å; S5-N9 VanDerWaalsContact O-N 3.07Å
6A65Low62.2Low61 Ų61120.8 Ų120.850%0.50463%0.633SS.*Hα-helixtrans-65-35.3176.300000112.6R10A6-R10 WeakPolarHBondContact O-CB 3.39Å; A6-R10 PolarHBondContact O-N 2.99Å; A6-R10 VanDerWaalsContact O-N 3.09Å
7K65.4Low62.7Low142 Ų142119.3 Ų119.362%0.61763%0.626SS**Hα-helixtrans-70.5-42.5176.1-164.4166.5-177.7173.40111.8G3 S5 N9 R10 D11G3-K7 PolarHBondContact O-N 2.69Å; S5-K7 VanDerWaalsContact C-N 3.32Å; S5-K7 PolarHBondContact O-N 2.86Å; K7-N9 PolarHBondContact O-N 3.39Å; K7-R10 PolarHBondContact O-N 3.19Å; K7-D11 VanDerWaalsContact O-CG 3.29Å; K7-D11 PolarHBondContact O-N 3.37Å
8K62.8Low63.3Low166 Ų166117.9 Ų117.972%0.72262%0.619SS**Hα-helixtrans-63.7-40.4177.6-157.6177.6-177.2-175.60112.7R4 S5 D11 S12R4-K8 PolarHBondContact O-N 3.21Å; R4-K8 VanDerWaalsContact O-N 3.13Å; S5-K8 PolarHBondContact O-N 3.45Å; K8-D11 PolarHBondContact O-N 3.36Å; K8-S12 PolarHBondContact O-N 3.3Å; K8-S12 PolarHBondContact O-OG 3.17Å; K8-S12 VanDerWaalsContact O-OG 3.09Å
9N64Low63.9Low116 Ų116115.3 Ų115.362%0.6261%0.608SS**Hα-helixtrans-67.1-39.6173.6-95.611.3000112.8S5 K7 S12 S13S5-N9 PolarHBondContact O-N 2.75Å; S5-N9 VanDerWaalsContact O-N 3.07Å; K7-N9 PolarHBondContact O-N 3.39Å; N9-S12 WeakPolarHBondContact CA-OG 3.16Å; N9-S12 PolarHBondContact O-N 2.63Å; N9-S12 PolarHBondContact O-OG 3.45Å; N9-S13 WeakPolarHBondContact O-CB 3.46Å; N9-S13 PolarHBondContact O-N 2.98Å; N9-S13 PolarHBondContact O-OG 2.87Å
10R66.3Low64.4Low185 Ų185113.8 Ų113.870%0.69860%0.6SS**Hα-helixtrans-63.6-42.1175-90.2-177165.1-175.4-3.9112.1A6 K7 S13 K14A6-R10 WeakPolarHBondContact O-CB 3.39Å; A6-R10 PolarHBondContact O-N 2.99Å; A6-R10 VanDerWaalsContact O-N 3.09Å; K7-R10 PolarHBondContact O-N 3.19Å; R10-S13 PolarHBondContact O-N 2.87Å; R10-K14 VanDerWaalsContact O-CB 3.31Å; R10-K14 WeakPolarHBondContact O-CB 3.43Å; R10-K14 VanDerWaalsContact O-CG 3.29Å; R10-K14 WeakPolarHBondContact O-CG 3.18Å; R10-K14 PolarHBondContact O-N 2.89Å
11D69.2Low65.1Low83 Ų83114.1 Ų114.144%0.44460%0.599SS.*Hα-helixtrans-71-34-179.7-67-19.6000111.5K7 K8 K15K7-D11 VanDerWaalsContact O-CG 3.29Å; K7-D11 PolarHBondContact O-N 3.37Å; K8-D11 PolarHBondContact O-N 3.36Å; D11-K15 WeakPolarHBondContact O-CB 3.26Å; D11-K15 PolarHBondContact O-N 2.91Å; D11-K15 VanDerWaalsContact O-N 3.07Å
12S61.6Low66.5Low56 Ų56106.9 Ų106.939%0.39257%0.567SS.*Hα-helixtrans-70.4-43171.654.90000112.8K8 N9 K15 V16K8-S12 PolarHBondContact O-N 3.3Å; K8-S12 PolarHBondContact O-OG 3.17Å; K8-S12 VanDerWaalsContact O-OG 3.09Å; N9-S12 WeakPolarHBondContact CA-OG 3.16Å; N9-S12 PolarHBondContact O-N 2.63Å; N9-S12 PolarHBondContact O-OG 3.45Å; S12-K15 PolarHBondContact O-N 3.5Å; S12-V16 VanDerWaalsContact O-CG2 3.3Å; S12-V16 WeakPolarHBondContact O-CG2 3.37Å; S12-V16 PolarHBondContact O-N 3.29Å
13S66Low67.8Low67 Ų67107.9 Ų107.947%0.46956%0.555SS.*Hα-helixtrans-66.9-36.6176.5-66.50000112.5N9 R10 V16 N17N9-S13 WeakPolarHBondContact O-CB 3.46Å; N9-S13 PolarHBondContact O-N 2.98Å; N9-S13 PolarHBondContact O-OG 2.87Å; R10-S13 PolarHBondContact O-N 2.87Å; S13-V16 PolarHBondContact O-N 3.31Å; S13-N17 WeakPolarHBondContact O-CB 3.27Å; S13-N17 PolarHBondContact O-N 2.79Å; S13-N17 PolarHBondContact O-OD1 3.41Å
14K67.5Low68.9Low131 Ų131110.9 Ų110.957%0.5756%0.557SS**Hα-helixtrans-64.5-45.5172.9-79-178174.1-166.70111.8R10 V16 N17 D18R10-K14 VanDerWaalsContact O-CB 3.31Å; R10-K14 WeakPolarHBondContact O-CB 3.43Å; R10-K14 VanDerWaalsContact O-CG 3.29Å; R10-K14 WeakPolarHBondContact O-CG 3.18Å; R10-K14 PolarHBondContact O-N 2.89Å; K14-V16 VanDerWaalsContact C-N 3.3Å; K14-V16 PolarHBondContact O-N 3.31Å; K14-N17 PolarHBondContact O-N 2.86Å; K14-D18 WeakPolarHBondContact O-CB 3.17Å; K14-D18 PolarHBondContact O-N 3.4Å
15K67.3Low70.1Confident156 Ų156106.7 Ų106.768%0.67855%0.545SS*.Hα-helixtrans-61.2-36.7174.5-84.2-173173.1-170.30113.2D11 S12 V19D11-K15 WeakPolarHBondContact O-CB 3.26Å; D11-K15 PolarHBondContact O-N 2.91Å; D11-K15 VanDerWaalsContact O-N 3.07Å; S12-K15 PolarHBondContact O-N 3.5Å; K15-V19 WeakPolarHBondContact O-CB 3.36Å; K15-V19 WeakPolarHBondContact O-CG2 3.18Å; K15-V19 PolarHBondContact O-N 2.9Å; K15-V19 VanDerWaalsContact O-N 3.14Å
16V66.9Low71.3Confident80 Ų80108.2 Ų108.249%0.48554%0.542SS..Hα-helixtrans-67.8-47.6175.8172.20000110.5S12 S13 K14 D18 V19 D20S12-V16 VanDerWaalsContact O-CG2 3.3Å; S12-V16 WeakPolarHBondContact O-CG2 3.37Å; S12-V16 PolarHBondContact O-N 3.29Å; S13-V16 PolarHBondContact O-N 3.31Å; K14-V16 VanDerWaalsContact C-N 3.3Å; K14-V16 PolarHBondContact O-N 3.31Å; V16-D18 PolarHBondContact O-N 3.06Å; V16-V19 PolarHBondContact O-N 3.41Å; V16-D20 WeakPolarHBondContact O-CB 3.27Å; V16-D20 VanDerWaalsContact O-CG 3.29Å; V16-D20 PolarHBondContact O-N 3.16Å
17N71.2Confident72.4Confident95 Ų95110.3 Ų110.351%0.50854%0.544SS..Hα-helixtrans-62.6-42.1177.5-73.812.6000113S13 K14 V19 D20 E21S13-N17 WeakPolarHBondContact O-CB 3.27Å; S13-N17 PolarHBondContact O-N 2.79Å; S13-N17 PolarHBondContact O-OD1 3.41Å; K14-N17 PolarHBondContact O-N 2.86Å; N17-V19 VanDerWaalsContact C-N 3.31Å; N17-V19 PolarHBondContact O-N 3.22Å; N17-D20 PolarHBondContact O-N 3.17Å; N17-E21 WeakPolarHBondContact O-CB 3.29Å; N17-E21 PolarHBondContact O-N 2.7Å
18D73.5Confident73.3Confident94 Ų94107.7 Ų107.750%0.50353%0.534SS..Hα-helixtrans-63.7-40178.1-68.3-19000110.4K14 V16 T22K14-D18 WeakPolarHBondContact O-CB 3.17Å; K14-D18 PolarHBondContact O-N 3.4Å; V16-D18 PolarHBondContact O-N 3.06Å; D18-T22 WeakPolarHBondContact O-CG2 3.47Å; D18-T22 PolarHBondContact O-N 3Å; D18-T22 PolarHBondContact O-OG1 2.98Å
19V73.3Confident74.5Confident68 Ų68104.8 Ų104.841%0.41252%0.523SS..Hα-helixtrans-67.3-40.1175.9170.40000111.5K15 V16 N17 T22 K23K15-V19 WeakPolarHBondContact O-CB 3.36Å; K15-V19 WeakPolarHBondContact O-CG2 3.18Å; K15-V19 PolarHBondContact O-N 2.9Å; K15-V19 VanDerWaalsContact O-N 3.14Å; V16-V19 PolarHBondContact O-N 3.41Å; N17-V19 VanDerWaalsContact C-N 3.31Å; N17-V19 PolarHBondContact O-N 3.22Å; V19-T22 VanDerWaalsContact CA-OG1 3.3Å; V19-T22 WeakPolarHBondContact CA-OG1 3.34Å; V19-T22 PolarHBondContact O-OG1 3.13Å; V19-K23 HydrophobicContact CG1-CD 4.22Å; V19-K23 WeakPolarHBondContact O-CB 3.27Å; V19-K23 VanDerWaalsContact O-CG 3.27Å; V19-K23 WeakPolarHBondContact O-CG 3.19Å; V19-K23 PolarHBondContact O-N 2.82Å
20D75.8Confident75.6Confident86 Ų86104.1 Ų104.146%0.4652%0.516SS..Hα-helixtrans-70.4-38.4177.9-68.9-23000111.9V16 N17 K23 L24V16-D20 WeakPolarHBondContact O-CB 3.27Å; V16-D20 VanDerWaalsContact O-CG 3.29Å; V16-D20 PolarHBondContact O-N 3.16Å; N17-D20 PolarHBondContact O-N 3.17Å; D20-K23 PolarHBondContact O-N 3.21Å; D20-L24 WeakPolarHBondContact O-CB 3.35Å; D20-L24 PolarHBondContact O-N 3.31Å
21E77.5Confident76.6Confident121 Ų121102.4 Ų102.457%0.56551%0.51SS*.Hα-helixtrans-66.1-40.3173.5-80.9-173.7-174.200112.3N17 L24 K25N17-E21 WeakPolarHBondContact O-CB 3.29Å; N17-E21 PolarHBondContact O-N 2.7Å; E21-L24 PolarHBondContact O-N 2.94Å; E21-K25 PolarHBondContact O-N 2.88Å; E21-K25 VanDerWaalsContact O-N 3.07Å
22T78.6Confident77.6Confident75 Ų75103.4 Ų103.446%0.4651%0.512SS..Hα-helixtrans-63.4-43.6173.443.70000111.7D18 V19 L24 K25 E26D18-T22 WeakPolarHBondContact O-CG2 3.47Å; D18-T22 PolarHBondContact O-N 3Å; D18-T22 PolarHBondContact O-OG1 2.98Å; V19-T22 VanDerWaalsContact CA-OG1 3.3Å; V19-T22 WeakPolarHBondContact CA-OG1 3.34Å; V19-T22 PolarHBondContact O-OG1 3.13Å; T22-L24 VanDerWaalsContact C-N 3.33Å; T22-L24 PolarHBondContact O-N 3.22Å; T22-K25 PolarHBondContact O-N 3.5Å; T22-E26 WeakPolarHBondContact O-CB 3.5Å; T22-E26 WeakPolarHBondContact O-CG 3.22Å; T22-E26 PolarHBondContact O-N 2.93Å
23K80.6Confident78.9Confident111 Ų111107.6 Ų107.648%0.48352%0.519SS..Hα-helixtrans-63.5-38.4176.5-75.5174.4178.8-1790112.4V19 D20 L27V19-K23 HydrophobicContact CG1-CD 4.22Å; V19-K23 WeakPolarHBondContact O-CB 3.27Å; V19-K23 VanDerWaalsContact O-CG 3.27Å; V19-K23 WeakPolarHBondContact O-CG 3.19Å; V19-K23 PolarHBondContact O-N 2.82Å; D20-K23 PolarHBondContact O-N 3.21Å; K23-L27 WeakPolarHBondContact O-CB 2.87Å; K23-L27 WeakPolarHBondContact O-CD1 3.37Å; K23-L27 WeakPolarHBondContact O-CG 3.37Å; K23-L27 PolarHBondContact O-N 3.16Å
24L78.9Confident80Confident120 Ų120108.1 Ų108.163%0.62852%0.516SS*.Hα-helixtrans-67.8-39.1178.9-17267.1000112.1D20 E21 T22 L27 E28D20-L24 WeakPolarHBondContact O-CB 3.35Å; D20-L24 PolarHBondContact O-N 3.31Å; E21-L24 PolarHBondContact O-N 2.94Å; T22-L24 VanDerWaalsContact C-N 3.33Å; T22-L24 PolarHBondContact O-N 3.22Å; L24-L27 PolarHBondContact O-N 2.79Å; L24-E28 PolarHBondContact O-N 2.87Å; L24-E28 VanDerWaalsContact O-N 3.07Å
25K82.3Confident81Confident140 Ų140107.3 Ų107.361%0.60951%0.51SS*.Hα-helixtrans-67.1-45173.8-75.9-178.61791780112.1E21 T22 L27 E28 E29E21-K25 PolarHBondContact O-N 2.88Å; E21-K25 VanDerWaalsContact O-N 3.07Å; T22-K25 PolarHBondContact O-N 3.5Å; K25-L27 VanDerWaalsContact C-N 3.27Å; K25-L27 PolarHBondContact O-N 2.92Å; K25-E28 PolarHBondContact O-N 2.83Å; K25-E29 WeakPolarHBondContact O-CG 3.27Å; K25-E29 PolarHBondContact O-N 2.89Å
26E83.5Confident82.1Confident119 Ų119105.6 Ų105.656%0.55650%0.504SS*.Hα-helixtrans-57.3-41.6174.8-75.4172.1-179.400111.3T22 E30T22-E26 WeakPolarHBondContact O-CB 3.5Å; T22-E26 WeakPolarHBondContact O-CG 3.22Å; T22-E26 PolarHBondContact O-N 2.93Å; E26-E30 WeakPolarHBondContact O-CB 3.41Å; E26-E30 PolarHBondContact O-N 2.95Å
27L87.6Confident83.2Confident105 Ų105107.6 Ų107.655%0.5551%0.508SS..Hα-helixtrans-65.8-39.5176.1-77.2167.5000113.6K23 L24 K25 R31K23-L27 WeakPolarHBondContact O-CB 2.87Å; K23-L27 WeakPolarHBondContact O-CD1 3.37Å; K23-L27 WeakPolarHBondContact O-CG 3.37Å; K23-L27 PolarHBondContact O-N 3.16Å; L24-L27 PolarHBondContact O-N 2.79Å; K25-L27 VanDerWaalsContact C-N 3.27Å; K25-L27 PolarHBondContact O-N 2.92Å; L27-R31 WeakPolarHBondContact O-CB 3.44Å; L27-R31 PolarHBondContact O-N 2.82Å
28E85Confident84.2Confident88 Ų88109.2 Ų109.241%0.41151%0.511SS..Hα-helixtrans-73.7-39.6178.4-170.163.1-14600111.8L24 K25 E30 R31 E32 R35L24-E28 PolarHBondContact O-N 2.87Å; L24-E28 VanDerWaalsContact O-N 3.07Å; K25-E28 PolarHBondContact O-N 2.83Å; E28-E30 VanDerWaalsContact C-N 3.34Å; E28-R31 WeakPolarHBondContact O-CB 3.42Å; E28-R31 PolarHBondContact O-N 3.4Å; E28-R31 IonicContact OE2-NH1 2.78Å; E28-E32 PolarHBondContact O-N 2.96Å; E28-R35 IonicContact OE1-CZ 3.88Å; E28-R35 IonicContact OE1-NH2 2.86Å; E28-R35 PolarHBondContact OE1-NH2 3.14Å
29E87.8Confident84.9Confident104 Ų104111.6 Ų111.649%0.48652%0.519SS..Hα-helixtrans-62.4-41.4172.1-73177.9-16800111.4K25 R31 E32 R33K25-E29 WeakPolarHBondContact O-CG 3.27Å; K25-E29 PolarHBondContact O-N 2.89Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.04Å; E29-E32 PolarHBondContact O-N 2.76Å; E29-R33 WeakPolarHBondContact O-CG 3.49Å; E29-R33 PolarHBondContact O-N 2.95Å
30E87Confident85.7Confident102 Ų102114.2 Ų114.248%0.47753%0.53SS..Hα-helixtrans-61.2-41.6173-174175-164.200111.3E26 E28 R33 L34E26-E30 WeakPolarHBondContact O-CB 3.41Å; E26-E30 PolarHBondContact O-N 2.95Å; E28-E30 VanDerWaalsContact C-N 3.34Å; E30-R33 PolarHBondContact O-N 3.25Å; E30-L34 WeakPolarHBondContact O-CB 3.45Å; E30-L34 PolarHBondContact O-N 2.94Å
31R87.8Confident86.3Confident150 Ų150116 Ų11657%0.56654%0.535SS*.Hα-helixtrans-68.3-35.6177.1-169.1-178.7-178-157.32.9113.4L27 E28 E29 R35L27-R31 WeakPolarHBondContact O-CB 3.44Å; L27-R31 PolarHBondContact O-N 2.82Å; E28-R31 WeakPolarHBondContact O-CB 3.42Å; E28-R31 PolarHBondContact O-N 3.4Å; E28-R31 IonicContact OE2-NH1 2.78Å; E29-R31 VanDerWaalsContact C-N 3.32Å; E29-R31 PolarHBondContact O-N 3.04Å; R31-R35 WeakPolarHBondContact O-CG 3.21Å; R31-R35 PolarHBondContact O-N 3.35Å; R31-R35 VanDerWaalsContact O-N 3.09Å; R31-R35 PolarHBondContact O-NE 2.86Å
32E89.3Confident86.9Confident104 Ų104115.3 Ų115.349%0.48654%0.535SS..Hα-helixtrans-67.2-48.3173.5-172.3166.9-14700111.3E28 E29 L34 R35 E36E28-E32 PolarHBondContact O-N 2.96Å; E29-E32 PolarHBondContact O-N 2.76Å; E32-L34 VanDerWaalsContact C-N 3.27Å; E32-L34 PolarHBondContact O-N 3.43Å; E32-R35 WeakPolarHBondContact O-CA 3.38Å; E32-R35 WeakPolarHBondContact O-CB 3.34Å; E32-R35 PolarHBondContact O-N 3.48Å; E32-E36 PolarHBondContact O-N 3.13Å
33R89.1Confident87.3Confident143 Ų143120.1 Ų120.154%0.5455%0.545SS..Hα-helixtrans-54.8-43.9173.1-72.9-169.5-66.7-106.40.8112.1E29 E30 R35 E36 E37E29-R33 WeakPolarHBondContact O-CG 3.49Å; E29-R33 PolarHBondContact O-N 2.95Å; E30-R33 PolarHBondContact O-N 3.25Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 2.96Å; R33-E36 PolarHBondContact O-N 3.05Å; R33-E37 WeakPolarHBondContact O-CB 3.33Å; R33-E37 PolarHBondContact O-N 2.82Å
34L90.4Very high87.6Confident78 Ų78120.9 Ų120.941%0.40855%0.548SS..Hα-helixtrans-69.2-24.4179.2-143.8121.1000113.1E30 E32 K38E30-L34 WeakPolarHBondContact O-CB 3.45Å; E30-L34 PolarHBondContact O-N 2.94Å; E32-L34 VanDerWaalsContact C-N 3.27Å; E32-L34 PolarHBondContact O-N 3.43Å; L34-K38 HydrophobicContact CD2-CD 4.41Å; L34-K38 WeakPolarHBondContact O-CB 3.35Å; L34-K38 WeakPolarHBondContact O-CD 3.45Å; L34-K38 WeakPolarHBondContact O-CG 3.14Å; L34-K38 PolarHBondContact O-N 2.87Å
35R88.6Confident88Confident115 Ų115119 Ų11943%0.43454%0.541SS..Hα-helixtrans-76.2-46.8172.7-81-178.6-71.9-148.9-5.9111E28 R31 E32 R33 E37 K38 E39E28-R35 IonicContact OE1-CZ 3.88Å; E28-R35 IonicContact OE1-NH2 2.86Å; E28-R35 PolarHBondContact OE1-NH2 3.14Å; R31-R35 WeakPolarHBondContact O-CG 3.21Å; R31-R35 PolarHBondContact O-N 3.35Å; R31-R35 VanDerWaalsContact O-N 3.09Å; R31-R35 PolarHBondContact O-NE 2.86Å; E32-R35 WeakPolarHBondContact O-CA 3.38Å; E32-R35 WeakPolarHBondContact O-CB 3.34Å; E32-R35 PolarHBondContact O-N 3.48Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 2.96Å; R35-E37 VanDerWaalsContact C-N 3.33Å; R35-E37 PolarHBondContact O-N 2.83Å; R35-K38 PolarHBondContact O-N 3.33Å; R35-E39 WeakPolarHBondContact O-CB 3.15Å; R35-E39 PolarHBondContact O-N 2.69Å
36E89.9Confident88.4Confident119 Ų119117.3 Ų117.356%0.55654%0.538SS*.Hα-helixtrans-61.7-41.8177.2-68.4-179.1162.700111.5E32 R33 E39 L40E32-E36 PolarHBondContact O-N 3.13Å; R33-E36 PolarHBondContact O-N 3.05Å; E36-E39 PolarHBondContact O-N 2.84Å; E36-L40 VanDerWaalsContact O-CB 3.3Å; E36-L40 WeakPolarHBondContact O-CB 3.39Å; E36-L40 PolarHBondContact O-N 3.31Å
37E89.9Confident88.5Confident123 Ų123117 Ų11758%0.57554%0.537SS*.Hα-helixtrans-60.1-46.4174.6-175.5174.5-164.100111.4R33 R35 L40 E41R33-E37 WeakPolarHBondContact O-CB 3.33Å; R33-E37 PolarHBondContact O-N 2.82Å; R35-E37 VanDerWaalsContact C-N 3.33Å; R35-E37 PolarHBondContact O-N 2.83Å; E37-L40 PolarHBondContact O-N 3.2Å; E37-E41 VanDerWaalsContact O-CB 3.28Å; E37-E41 WeakPolarHBondContact O-CB 3.36Å; E37-E41 PolarHBondContact O-N 2.69Å
38K90.9Very high88.4Confident129 Ų129116.9 Ų116.956%0.56153%0.533SS*.Hα-helixtrans-64.5-39176-77.8176.4178.7-178.40113.3L34 R35 L42L34-K38 HydrophobicContact CD2-CD 4.41Å; L34-K38 WeakPolarHBondContact O-CB 3.35Å; L34-K38 WeakPolarHBondContact O-CD 3.45Å; L34-K38 WeakPolarHBondContact O-CG 3.14Å; L34-K38 PolarHBondContact O-N 2.87Å; R35-K38 PolarHBondContact O-N 3.33Å; K38-L42 VanDerWaalsContact O-CB 3.23Å; K38-L42 WeakPolarHBondContact O-CB 3.21Å; K38-L42 PolarHBondContact O-N 2.91Å
39E89.4Confident88.6Confident144 Ų144116.5 Ų116.567%0.67353%0.531SS*.Hα-helixtrans-67.4-42.5177.3-175179165.200111R35 E36 L42 R43R35-E39 WeakPolarHBondContact O-CB 3.15Å; R35-E39 PolarHBondContact O-N 2.69Å; E36-E39 PolarHBondContact O-N 2.84Å; E39-L42 PolarHBondContact O-N 2.93Å; E39-R43 VanDerWaalsContact O-CB 3.29Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 PolarHBondContact O-N 2.75Å
40L89.9Confident88.6Confident123 Ų123116.3 Ų116.364%0.64453%0.529SS*.Hα-helixtrans-63.6-43.4175.6-174.769000111.3E36 E37 R43 K44E36-L40 VanDerWaalsContact O-CB 3.3Å; E36-L40 WeakPolarHBondContact O-CB 3.39Å; E36-L40 PolarHBondContact O-N 3.31Å; E37-L40 PolarHBondContact O-N 3.2Å; L40-R43 PolarHBondContact O-N 2.64Å; L40-K44 WeakPolarHBondContact O-CB 3.41Å; L40-K44 PolarHBondContact O-N 2.88Å
41E87.4Confident88.7Confident123 Ų123113.2 Ų113.258%0.57552%0.516SS*.Hα-helixtrans-64.6-46176.6-172.4166.3-153.100111.3E37 R43 K44 V45E37-E41 VanDerWaalsContact O-CB 3.28Å; E37-E41 WeakPolarHBondContact O-CB 3.36Å; E37-E41 PolarHBondContact O-N 2.69Å; E41-R43 VanDerWaalsContact C-N 3.34Å; E41-R43 PolarHBondContact O-N 2.85Å; E41-K44 WeakPolarHBondContact O-CB 3.45Å; E41-K44 PolarHBondContact O-N 2.77Å; E41-V45 WeakPolarHBondContact O-CG2 3.37Å; E41-V45 PolarHBondContact O-N 2.73Å
42L90.3Very high88.7Confident107 Ų107108.3 Ų108.356%0.5650%0.501SS*.Hα-helixtrans-60.2-43.8175.4-177.965000111.6K38 E39 K44 V45 L46K38-L42 VanDerWaalsContact O-CB 3.23Å; K38-L42 WeakPolarHBondContact O-CB 3.21Å; K38-L42 PolarHBondContact O-N 2.91Å; E39-L42 PolarHBondContact O-N 2.93Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 2.94Å; L42-V45 PolarHBondContact O-N 3.39Å; L42-L46 HydrophobicContact CG-CD1 4.26Å; L42-L46 WeakPolarHBondContact O-CB 3.38Å; L42-L46 VanDerWaalsContact O-CG 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.43Å; L42-L46 PolarHBondContact O-N 2.77Å
43R87.3Confident88.7Confident176 Ų176108.5 Ų108.566%0.66450%0.5SS*.Hα-helixtrans-61.8-41.4176.7-178.7177.6176177.9-1.3111.6E39 L40 E41 L46 Q47E39-R43 VanDerWaalsContact O-CB 3.29Å; E39-R43 WeakPolarHBondContact O-CB 3.44Å; E39-R43 PolarHBondContact O-N 2.75Å; L40-R43 PolarHBondContact O-N 2.64Å; E41-R43 VanDerWaalsContact C-N 3.34Å; E41-R43 PolarHBondContact O-N 2.85Å; R43-L46 PolarHBondContact O-N 2.74Å; R43-Q47 WeakPolarHBondContact O-CB 3.39Å; R43-Q47 PolarHBondContact O-N 2.82Å
44K87Confident88.8Confident127 Ų127104.7 Ų104.755%0.55249%0.49SS*.Hα-helixtrans-63.5-45176.1-175.7-179173.2-171.90111.2L40 E41 L42 L46 Q47 E48L40-K44 WeakPolarHBondContact O-CB 3.41Å; L40-K44 PolarHBondContact O-N 2.88Å; E41-K44 WeakPolarHBondContact O-CB 3.45Å; E41-K44 PolarHBondContact O-N 2.77Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 2.94Å; K44-L46 PolarHBondContact O-N 2.76Å; K44-Q47 PolarHBondContact O-N 2.75Å; K44-E48 WeakPolarHBondContact CE-OE1 3.43Å; K44-E48 WeakPolarHBondContact O-CB 3.26Å; K44-E48 WeakPolarHBondContact O-CG 3.41Å; K44-E48 PolarHBondContact O-N 3.25Å
45V87.8Confident88.8Confident79 Ų79101.6 Ų101.648%0.47947%0.473SS..Hα-helixtrans-62.6-43177.1171.40000111.7E41 L42 Q47 E48 K49E41-V45 WeakPolarHBondContact O-CG2 3.37Å; E41-V45 PolarHBondContact O-N 2.73Å; L42-V45 PolarHBondContact O-N 3.39Å; V45-Q47 VanDerWaalsContact C-N 3.34Å; V45-Q47 PolarHBondContact O-N 3.18Å; V45-E48 PolarHBondContact O-N 2.79Å; V45-K49 WeakPolarHBondContact O-CB 3.38Å; V45-K49 PolarHBondContact O-N 2.94Å
46L89.9Confident88.9Confident106 Ų10698.4 Ų98.456%0.55546%0.464SS*.Hα-helixtrans-63.2-40.8176.4-72.6173.9000111.9L42 R43 K44 K49 E50L42-L46 HydrophobicContact CG-CD1 4.26Å; L42-L46 WeakPolarHBondContact O-CB 3.38Å; L42-L46 VanDerWaalsContact O-CG 3.32Å; L42-L46 WeakPolarHBondContact O-CG 3.43Å; L42-L46 PolarHBondContact O-N 2.77Å; R43-L46 PolarHBondContact O-N 2.74Å; K44-L46 PolarHBondContact O-N 2.76Å; L46-K49 PolarHBondContact O-N 2.79Å; L46-E50 PolarHBondContact O-N 3.43Å; L46-E50 VanDerWaalsContact O-N 3.09Å
47Q85.9Confident89Confident111 Ų11197.1 Ų97.152%0.51946%0.458SS..Hα-helixtrans-64.3-47.1174.9-175.7175.3-6.300111.2R43 K44 V45 K49 E50 D51R43-Q47 WeakPolarHBondContact O-CB 3.39Å; R43-Q47 PolarHBondContact O-N 2.82Å; K44-Q47 PolarHBondContact O-N 2.75Å; V45-Q47 VanDerWaalsContact C-N 3.34Å; V45-Q47 PolarHBondContact O-N 3.18Å; Q47-K49 PolarHBondContact O-N 2.91Å; Q47-E50 PolarHBondContact O-N 3.31Å; Q47-E50 VanDerWaalsContact O-N 3.16Å; Q47-D51 WeakPolarHBondContact O-CB 3.39Å; Q47-D51 PolarHBondContact O-N 3.27Å
48E86.6Confident89.2Confident103 Ų10392.4 Ų92.448%0.48144%0.436SS..Hα-helixtrans-59.6-35.1176.4-74176.5-176.400112.4K44 V45 L52K44-E48 WeakPolarHBondContact CE-OE1 3.43Å; K44-E48 WeakPolarHBondContact O-CB 3.26Å; K44-E48 WeakPolarHBondContact O-CG 3.41Å; K44-E48 PolarHBondContact O-N 3.25Å; V45-E48 PolarHBondContact O-N 2.79Å; E48-L52 VanDerWaalsContact O-CB 3.28Å; E48-L52 WeakPolarHBondContact O-CB 3.27Å; E48-L52 PolarHBondContact O-N 3.35Å
49K87.8Confident89.3Confident81 Ų8186.7 Ų86.735%0.35241%0.411SS..Hα-helixtrans-67.4-43.1175.6-175.4174.7178.9174.50112V45 L46 Q47 L52 K53 F299V45-K49 WeakPolarHBondContact O-CB 3.38Å; V45-K49 PolarHBondContact O-N 2.94Å; L46-K49 PolarHBondContact O-N 2.79Å; Q47-K49 PolarHBondContact O-N 2.91Å; K49-L52 PolarHBondContact O-N 3.37Å; K49-K53 PolarHBondContact O-N 2.69Å; K49-K53 VanDerWaalsContact O-N 3.13Å; K49-F299 HydrophobicContact CD-CE2 4.17Å; K49-F299 HydrophobicContact CG-CD2 4.03Å; K49-F299 HydrophobicContact CG-CE2 3.74Å
50E88.4Confident89.5Confident99 Ų9985 Ų8546%0.46340%0.402SS..Hα-helixtrans-67.4-41.3175.6-170.560.4-155.800111.1L46 Q47 L52 K53 I54L46-E50 PolarHBondContact O-N 3.43Å; L46-E50 VanDerWaalsContact O-N 3.09Å; Q47-E50 PolarHBondContact O-N 3.31Å; Q47-E50 VanDerWaalsContact O-N 3.16Å; E50-L52 VanDerWaalsContact C-N 3.31Å; E50-L52 PolarHBondContact O-N 3.23Å; E50-K53 WeakPolarHBondContact O-CB 3.25Å; E50-K53 PolarHBondContact O-N 2.86Å; E50-K53 VanDerWaalsContact O-N 3.11Å; E50-I54 PolarHBondContact O-N 3.43Å; E50-I54 VanDerWaalsContact O-N 3.08Å
51D88.2Confident89.6Confident38 Ų3883.8 Ų83.820%0.20339%0.393CS..Hα-helixtrans-61.8-40.7177-64.6-4.6000111.6Q47 K53 R55 F762Q47-D51 WeakPolarHBondContact O-CB 3.39Å; Q47-D51 PolarHBondContact O-N 3.27Å; D51-K53 VanDerWaalsContact C-N 3.32Å; D51-K53 PolarHBondContact O-N 3.02Å; D51-R55 VanDerWaalsContact O-CB 3.24Å; D51-R55 WeakPolarHBondContact O-CB 3.49Å; D51-R55 PolarHBondContact O-N 2.93Å; D51-F762 HydrophobicContact CB-CE1 4.33Å; D51-F762 HydrophobicContact CB-CE2 4Å; D51-F762 HydrophobicContact CB-CZ 3.53Å; D51-F762 WeakPolarHBondContact OD1-CE1 3.33Å; D51-F762 WeakPolarHBondContact OD1-CZ 3.46Å
52L88.5Confident89.9Confident46 Ų4678.4 Ų78.424%0.24137%0.368CS..Hα-helixtrans-63.5-38.5175-178.961.6000111.9E48 K49 E50 R55 I56 F299 P302E48-L52 VanDerWaalsContact O-CB 3.28Å; E48-L52 WeakPolarHBondContact O-CB 3.27Å; E48-L52 PolarHBondContact O-N 3.35Å; K49-L52 PolarHBondContact O-N 3.37Å; E50-L52 VanDerWaalsContact C-N 3.31Å; E50-L52 PolarHBondContact O-N 3.23Å; L52-R55 PolarHBondContact O-N 2.7Å; L52-I56 HydrophobicContact CD1-CD1 4.26Å; L52-I56 HydrophobicContact CD1-CG1 4.33Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 HydrophobicContact CG-CG1 4.45Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.24Å; L52-I56 PolarHBondContact O-N 3.28Å; L52-F299 HydrophobicContact CD2-CB 4.02Å; L52-P302 HydrophobicContact CD1-CG 4.36Å
53K90.3Very high89.9Confident109 Ų10977.4 Ų77.447%0.47436%0.357SS..Hα-helixtrans-65.4-46.2179.3-175.8-176.3175.6-171.90111.9K49 E50 D51 R55 I56 E57 F299K49-K53 PolarHBondContact O-N 2.69Å; K49-K53 VanDerWaalsContact O-N 3.13Å; E50-K53 WeakPolarHBondContact O-CB 3.25Å; E50-K53 PolarHBondContact O-N 2.86Å; E50-K53 VanDerWaalsContact O-N 3.11Å; D51-K53 VanDerWaalsContact C-N 3.32Å; D51-K53 PolarHBondContact O-N 3.02Å; K53-R55 VanDerWaalsContact C-N 3.3Å; K53-I56 PolarHBondContact O-N 3.41Å; K53-E57 PolarHBondContact O-N 3.43Å; K53-F299 HydrophobicContact CD-CZ 4.42Å; K53-F299 HydrophobicContact CG-CZ 4.5Å
54I89.6Confident90.2Very high62 Ų6273.4 Ų73.432%0.31835%0.352SS..Hα-helixtrans-59.2-47.4173.7-65.2168.9000109.3E50 I56 E57 E58 F762E50-I54 PolarHBondContact O-N 3.43Å; E50-I54 VanDerWaalsContact O-N 3.08Å; I54-I56 VanDerWaalsContact C-N 3.35Å; I54-I56 PolarHBondContact O-N 2.88Å; I54-E57 PolarHBondContact O-N 2.79Å; I54-E58 HydrophobicContact CG2-CG 4.31Å; I54-E58 WeakPolarHBondContact O-CG 3.42Å; I54-E58 PolarHBondContact O-N 2.81Å; I54-E58 VanDerWaalsContact O-N 3.07Å; I54-F762 HydrophobicContact CD1-CZ 4.27Å
55R90.6Very high90.5Very high13 Ų1369.1 Ų69.15%0.04934%0.335CS..Hα-helixtrans-58.7-41.6179.817717418069.25.3113.4D51 L52 K53 E57 L59 D305 R737 K738 A764D51-R55 VanDerWaalsContact O-CB 3.24Å; D51-R55 WeakPolarHBondContact O-CB 3.49Å; D51-R55 PolarHBondContact O-N 2.93Å; L52-R55 PolarHBondContact O-N 2.7Å; K53-R55 VanDerWaalsContact C-N 3.3Å; R55-E57 VanDerWaalsContact C-N 3.34Å; R55-E57 PolarHBondContact O-N 2.73Å; R55-L59 HydrophobicContact CG-CD1 3.74Å; R55-L59 HydrophobicContact CG-CG 4.1Å; R55-L59 VanDerWaalsContact O-CB 3.27Å; R55-L59 WeakPolarHBondContact O-CB 3.46Å; R55-L59 VanDerWaalsContact O-CG 3.22Å; R55-L59 WeakPolarHBondContact O-CG 3.35Å; R55-L59 PolarHBondContact O-N 3.05Å; R55-D305 IonicContact CZ-OD1 2.73Å; R55-D305 IonicContact CZ-OD2 2.67Å; R55-D305 IonicContact NE-OD1 3.69Å; R55-D305 PolarHBondContact NE-OD1 3.09Å; R55-D305 IonicContact NE-OD2 3.73Å; R55-D305 PolarHBondContact NE-OD2 3Å; R55-D305 IonicContact NH2-OD1 3.57Å; R55-D305 PolarHBondContact NH2-OD1 2.86Å; R55-D305 IonicContact NH2-OD2 3.65Å; R55-R737 VanDerWaalsContact CZ-O 3.32Å; R55-R737 PolarHBondContact NH1-O 3.4Å; R55-R737 PolarHBondContact NH2-O 3.5Å; R55-K738 VanDerWaalsContact CZ-CA 3.44Å; R55-K738 VanDerWaalsContact NH1-CA 3.33Å; R55-K738 PolarHBondContact NH1-O 3.35Å; R55-A764 HydrophobicContact CB-CB 4.28Å; R55-A764 HydrophobicContact CG-CB 3.95Å; R55-A764 PolarHBondContact NH1-O 3.09Å
56I91.6Very high90.7Very high48 Ų4866.4 Ų66.425%0.24632%0.318CS..Hα-helixtrans-60.7-44.3178.9-74.9161.2000111.1L52 K53 I54 K60 F299 P302L52-I56 HydrophobicContact CD1-CD1 4.26Å; L52-I56 HydrophobicContact CD1-CG1 4.33Å; L52-I56 HydrophobicContact CG-CD1 3.93Å; L52-I56 HydrophobicContact CG-CG1 4.45Å; L52-I56 VanDerWaalsContact O-CG1 3.25Å; L52-I56 WeakPolarHBondContact O-CG1 3.24Å; L52-I56 PolarHBondContact O-N 3.28Å; K53-I56 PolarHBondContact O-N 3.41Å; I54-I56 VanDerWaalsContact C-N 3.35Å; I54-I56 PolarHBondContact O-N 2.88Å; I56-K60 WeakPolarHBondContact O-CB 3.49Å; I56-K60 PolarHBondContact O-N 3.48Å; I56-K60 VanDerWaalsContact O-N 3.14Å; I56-F299 HydrophobicContact CD1-CB 3.92Å; I56-F299 HydrophobicContact CD1-CD1 4.39Å; I56-F299 HydrophobicContact CD1-CG 4.33Å; I56-P302 HydrophobicContact CG1-CG 3.73Å
57E92.2Very high90.8Very high93 Ų9365.1 Ų65.144%0.43531%0.312SS..Hα-helixtrans-71.1-45.9-177.5-166.160.2-154.800111.3K53 I54 R55 L59 K60 E61K53-E57 PolarHBondContact O-N 3.43Å; I54-E57 PolarHBondContact O-N 2.79Å; R55-E57 VanDerWaalsContact C-N 3.34Å; R55-E57 PolarHBondContact O-N 2.73Å; E57-L59 PolarHBondContact O-N 3.48Å; E57-K60 WeakPolarHBondContact O-CB 3.32Å; E57-K60 PolarHBondContact O-N 3.26Å; E57-K60 IonicContact OE1-NZ 3.97Å; E57-K60 IonicContact OE2-NZ 2.73Å; E57-E61 PolarHBondContact O-N 3.24Å; E57-E61 VanDerWaalsContact O-N 3.09Å
58E94.1Very high91.2Very high24 Ų2464.4 Ų64.411%0.11231%0.308CS..Hα-helixtrans-61.2-47177.3-69.4-172.2162.300111.7I54 K60 E61 T62 H763 A764 H768I54-E58 HydrophobicContact CG2-CG 4.31Å; I54-E58 WeakPolarHBondContact O-CG 3.42Å; I54-E58 PolarHBondContact O-N 2.81Å; I54-E58 VanDerWaalsContact O-N 3.07Å; E58-K60 PolarHBondContact O-N 3.05Å; E58-E61 WeakPolarHBondContact O-CB 3.43Å; E58-E61 PolarHBondContact O-N 3.36Å; E58-E61 VanDerWaalsContact O-N 3.1Å; E58-T62 PolarHBondContact O-N 3.03Å; E58-H763 IonicContact OE1-CE1 2.83Å; E58-H763 IonicContact OE1-CG 3.86Å; E58-H763 IonicContact OE1-ND1 3.93Å; E58-H763 PolarHBondContact OE1-ND1 3.05Å; E58-H763 WeakPolarHBondContact OE2-CA 3.39Å; E58-H763 IonicContact OE2-ND1 3.19Å; E58-A764 HydrophobicContact CB-CB 3.84Å; E58-A764 VanDerWaalsContact OE2-CB 3.29Å; E58-A764 WeakPolarHBondContact OE2-CB 3.12Å; E58-A764 PolarHBondContact OE2-N 3.38Å; E58-H768 VanDerWaalsContact C-CE1 3.48Å; E58-H768 HydrophobicContact CG-CB 4.29Å; E58-H768 PolarHBondContact O-CE1 3.38Å; E58-H768 PolarHBondContact O-NE2 3.49Å
59L92.5Very high91.4Very high8 Ų860.5 Ų60.54%0.04229%0.29CS..Hα-helixtrans-62-34.4178-74.3-179.7000112.6R55 E57 T62 R63 P302 E304 A764R55-L59 HydrophobicContact CG-CD1 3.74Å; R55-L59 HydrophobicContact CG-CG 4.1Å; R55-L59 VanDerWaalsContact O-CB 3.27Å; R55-L59 WeakPolarHBondContact O-CB 3.46Å; R55-L59 VanDerWaalsContact O-CG 3.22Å; R55-L59 WeakPolarHBondContact O-CG 3.35Å; R55-L59 PolarHBondContact O-N 3.05Å; E57-L59 PolarHBondContact O-N 3.48Å; L59-T62 PolarHBondContact O-N 3.4Å; L59-R63 VanDerWaalsContact O-CB 3.23Å; L59-R63 WeakPolarHBondContact O-CB 3.38Å; L59-R63 PolarHBondContact O-N 2.81Å; L59-P302 HydrophobicContact CD1-CB 3.77Å; L59-P302 HydrophobicContact CD1-CG 4.05Å; L59-E304 HydrophobicContact CD1-CB 4.4Å; L59-A764 HydrophobicContact CD2-CB 4.24Å; L59-A764 HydrophobicContact CG-CB 4.15Å
60K92.9Very high91.6Very high108 Ų10860 Ų6047%0.4729%0.291SS..Hα-helixtrans-64.3-44175.5179.2-173.2169.9-159.60110.7I56 E57 E58 R63 T64I56-K60 WeakPolarHBondContact O-CB 3.49Å; I56-K60 PolarHBondContact O-N 3.48Å; I56-K60 VanDerWaalsContact O-N 3.14Å; E57-K60 WeakPolarHBondContact O-CB 3.32Å; E57-K60 PolarHBondContact O-N 3.26Å; E57-K60 IonicContact OE1-NZ 3.97Å; E57-K60 IonicContact OE2-NZ 2.73Å; E58-K60 PolarHBondContact O-N 3.05Å; K60-R63 PolarHBondContact O-N 2.8Å; K60-T64 WeakPolarHBondContact O-CG2 3.36Å; K60-T64 PolarHBondContact O-N 3.34Å
61E93.6Very high91.8Very high99 Ų9961.7 Ų61.746%0.46330%0.297SS..Hα-helixtrans-60.7-51.3174.2-68.2-170.8-170.400111.3E57 E58 R63 T64 L65 H768E57-E61 PolarHBondContact O-N 3.24Å; E57-E61 VanDerWaalsContact O-N 3.09Å; E58-E61 WeakPolarHBondContact O-CB 3.43Å; E58-E61 PolarHBondContact O-N 3.36Å; E58-E61 VanDerWaalsContact O-N 3.1Å; E61-R63 VanDerWaalsContact C-N 3.3Å; E61-R63 PolarHBondContact O-N 2.86Å; E61-T64 PolarHBondContact O-N 2.67Å; E61-T64 VanDerWaalsContact O-N 3.09Å; E61-T64 PolarHBondContact O-OG1 3.45Å; E61-L65 PolarHBondContact O-N 3Å; E61-H768 IonicContact OE2-NE2 3.81Å
62T92.6Very high92Very high10 Ų1065.8 Ų65.86%0.06131%0.309CS..Hα-helixtrans-55.8-44.3177.2-77.70000111.8E58 L59 T64 L65 I66 D765 H768E58-T62 PolarHBondContact O-N 3.03Å; L59-T62 PolarHBondContact O-N 3.4Å; T62-T64 VanDerWaalsContact C-N 3.34Å; T62-T64 PolarHBondContact O-N 3.14Å; T62-L65 PolarHBondContact O-N 3.25Å; T62-I66 HydrophobicContact CG2-CD1 3.48Å; T62-I66 VanDerWaalsContact CG2-CD1 3.48Å; T62-I66 HydrophobicContact CG2-CG1 4.28Å; T62-I66 WeakPolarHBondContact O-CB 3.34Å; T62-I66 WeakPolarHBondContact O-CG1 3.34Å; T62-I66 PolarHBondContact O-N 2.86Å; T62-D765 WeakPolarHBondContact CB-OD2 3.28Å; T62-D765 PolarHBondContact OG1-OD2 3.49Å; T62-H768 PolarHBondContact OG1-CE1 3.04Å; T62-H768 PolarHBondContact OG1-ND1 3.37Å
63R91.3Very high92.1Very high86 Ų8665 Ų6533%0.32531%0.306SS..Hα-helixtrans-62.3-41.3178.1-168.1-173.3-53.8133.914.2111.9L59 K60 E61 N67 P303 E304L59-R63 VanDerWaalsContact O-CB 3.23Å; L59-R63 WeakPolarHBondContact O-CB 3.38Å; L59-R63 PolarHBondContact O-N 2.81Å; K60-R63 PolarHBondContact O-N 2.8Å; E61-R63 VanDerWaalsContact C-N 3.3Å; E61-R63 PolarHBondContact O-N 2.86Å; R63-N67 WeakPolarHBondContact O-CB 3.45Å; R63-N67 PolarHBondContact O-N 2.84Å; R63-N67 PolarHBondContact O-ND2 3.31Å; R63-N67 VanDerWaalsContact O-ND2 3.1Å; R63-P303 VanDerWaalsContact CZ-CG 3.43Å; R63-P303 VanDerWaalsContact NH2-CD 3.25Å; R63-E304 IonicContact CZ-OE1 2.69Å; R63-E304 IonicContact CZ-OE2 3.68Å; R63-E304 IonicContact NE-OE1 3.86Å; R63-E304 PolarHBondContact NE-OE1 2.83Å; R63-E304 IonicContact NH2-OE1 3.63Å; R63-E304 PolarHBondContact NH2-OE1 2.98Å; R63-E304 IonicContact NH2-OE2 3.6Å; R63-E304 PolarHBondContact NH2-OE2 3.45Å
64T94Very high91.9Very high91 Ų9165 Ų6556%0.55831%0.307SS*.Hα-helixtrans-64.6-43.7177.460.90000111.6K60 E61 T62 N67 E68K60-T64 WeakPolarHBondContact O-CG2 3.36Å; K60-T64 PolarHBondContact O-N 3.34Å; E61-T64 PolarHBondContact O-N 2.67Å; E61-T64 VanDerWaalsContact O-N 3.09Å; E61-T64 PolarHBondContact O-OG1 3.45Å; T62-T64 VanDerWaalsContact C-N 3.34Å; T62-T64 PolarHBondContact O-N 3.14Å; T64-N67 PolarHBondContact O-N 3.05Å; T64-E68 WeakPolarHBondContact O-CB 3.37Å; T64-E68 PolarHBondContact O-N 3.37Å
65L92.6Very high92Very high37 Ų3768 Ų6819%0.19432%0.32CS..Hα-helixtrans-60.9-53.3177.4176.464.7000111.7E61 T62 N67 E68 Q69 L689 Y767E61-L65 PolarHBondContact O-N 3Å; T62-L65 PolarHBondContact O-N 3.25Å; L65-N67 VanDerWaalsContact C-N 3.31Å; L65-N67 PolarHBondContact O-N 2.85Å; L65-E68 PolarHBondContact O-N 2.87Å; L65-Q69 HydrophobicContact CD1-CG 4.37Å; L65-Q69 WeakPolarHBondContact O-CG 3.26Å; L65-Q69 PolarHBondContact O-N 2.82Å; L65-L689 HydrophobicContact CD2-CD2 4.05Å; L65-Y767 HydrophobicContact CD2-CD2 4.14Å; L65-Y767 HydrophobicContact CD2-CE1 4.1Å; L65-Y767 HydrophobicContact CD2-CE2 3.55Å
66I91.3Very high91.8Very high23 Ų2370.4 Ų70.412%0.11833%0.333CS..Hα-helixtrans-59.6-43.6-179.9-70.5169000110.5T62 E68 Q69 N70T62-I66 HydrophobicContact CG2-CD1 3.48Å; T62-I66 VanDerWaalsContact CG2-CD1 3.48Å; T62-I66 HydrophobicContact CG2-CG1 4.28Å; T62-I66 WeakPolarHBondContact O-CB 3.34Å; T62-I66 WeakPolarHBondContact O-CG1 3.34Å; T62-I66 PolarHBondContact O-N 2.86Å; I66-E68 VanDerWaalsContact C-N 3.34Å; I66-E68 PolarHBondContact O-N 2.88Å; I66-Q69 PolarHBondContact O-N 2.85Å; I66-N70 WeakPolarHBondContact CG2-ND2 3.46Å; I66-N70 WeakPolarHBondContact O-CB 3.36Å; I66-N70 PolarHBondContact O-N 3.09Å; I66-N70 PolarHBondContact O-ND2 2.97Å
67N92.7Very high91.4Very high79 Ų7971 Ų7142%0.42234%0.335SS..Hα-helixtrans-63.8-39.1178.3-77.6-26.2000112.6R63 T64 L65 K71R63-N67 WeakPolarHBondContact O-CB 3.45Å; R63-N67 PolarHBondContact O-N 2.84Å; R63-N67 PolarHBondContact O-ND2 3.31Å; R63-N67 VanDerWaalsContact O-ND2 3.1Å; T64-N67 PolarHBondContact O-N 3.05Å; L65-N67 VanDerWaalsContact C-N 3.31Å; L65-N67 PolarHBondContact O-N 2.85Å; N67-K71 VanDerWaalsContact O-CG 3.29Å; N67-K71 WeakPolarHBondContact O-CG 3.29Å; N67-K71 PolarHBondContact O-N 2.84Å; N67-K71 VanDerWaalsContact O-N 3.08Å
68E93.3Very high91.1Very high96 Ų9671.4 Ų71.445%0.44934%0.34SS..Hα-helixtrans-65.4-46.2175.1-179.2171.1-162.200111.6T64 L65 I66 N70 K71 R72T64-E68 WeakPolarHBondContact O-CB 3.37Å; T64-E68 PolarHBondContact O-N 3.37Å; L65-E68 PolarHBondContact O-N 2.87Å; I66-E68 VanDerWaalsContact C-N 3.34Å; I66-E68 PolarHBondContact O-N 2.88Å; E68-N70 PolarHBondContact O-N 3.2Å; E68-K71 PolarHBondContact O-N 3.41Å; E68-R72 WeakPolarHBondContact O-CG 3.23Å; E68-R72 PolarHBondContact O-N 3.44Å; E68-R72 IonicContact OE1-CZ 3.59Å; E68-R72 VanDerWaalsContact OE1-CZ 3.32Å; E68-R72 IonicContact OE1-NE 3.08Å; E68-R72 PolarHBondContact OE1-NE 3.47Å; E68-R72 IonicContact OE1-NH2 3.81Å; E68-R72 PolarHBondContact OE1-NH2 2.89Å
69Q91.5Very high90.7Very high20 Ų2075.5 Ų75.59%0.09336%0.359CS..Hα-helixtrans-59.9-45.9176.6-71.8179.2-18.500111.5L65 I66 K71 R72 L73 L689 L787L65-Q69 HydrophobicContact CD1-CG 4.37Å; L65-Q69 WeakPolarHBondContact O-CG 3.26Å; L65-Q69 PolarHBondContact O-N 2.82Å; I66-Q69 PolarHBondContact O-N 2.85Å; Q69-K71 PolarHBondContact O-N 2.95Å; Q69-R72 PolarHBondContact O-N 2.85Å; Q69-L73 WeakPolarHBondContact O-CB 3.35Å; Q69-L73 PolarHBondContact O-N 3.29Å; Q69-L689 VanDerWaalsContact NE2-CD1 3.28Å; Q69-L787 HydrophobicContact CB-CD2 4.09Å; Q69-L787 HydrophobicContact CG-CD2 4.03Å
70N90.9Very high90Very high70 Ų7080.4 Ų80.437%0.37438%0.378SS..Hα-helixtrans-60.5-43.2177.7-75.2-21.1000112.1I66 E68 L73 Q74I66-N70 WeakPolarHBondContact CG2-ND2 3.46Å; I66-N70 WeakPolarHBondContact O-CB 3.36Å; I66-N70 PolarHBondContact O-N 3.09Å; I66-N70 PolarHBondContact O-ND2 2.97Å; E68-N70 PolarHBondContact O-N 3.2Å; N70-L73 PolarHBondContact O-N 2.78Å; N70-Q74 VanDerWaalsContact O-CG 3.3Å; N70-Q74 WeakPolarHBondContact O-CG 3.26Å; N70-Q74 PolarHBondContact O-N 3.41Å
71K93.6Very high89.2Confident135 Ų13579.4 Ų79.459%0.58737%0.371SS*.Hα-helixtrans-61.5-44.9175.7-75.5172.3-177.2177.10112N67 E68 Q69 Q74 Q75N67-K71 VanDerWaalsContact O-CG 3.29Å; N67-K71 WeakPolarHBondContact O-CG 3.29Å; N67-K71 PolarHBondContact O-N 2.84Å; N67-K71 VanDerWaalsContact O-N 3.08Å; E68-K71 PolarHBondContact O-N 3.41Å; Q69-K71 PolarHBondContact O-N 2.95Å; K71-Q74 PolarHBondContact O-N 2.73Å; K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-N 2.91Å; K71-Q75 VanDerWaalsContact O-N 3.15Å
72R92.8Very high88.8Confident124 Ų12479 Ų7947%0.46837%0.372SS..Hα-helixtrans-65.4-40.8177.8-69176.2-176.2-169.32111.4E68 Q69 Q75 L76 L787E68-R72 WeakPolarHBondContact O-CG 3.23Å; E68-R72 PolarHBondContact O-N 3.44Å; E68-R72 IonicContact OE1-CZ 3.59Å; E68-R72 VanDerWaalsContact OE1-CZ 3.32Å; E68-R72 IonicContact OE1-NE 3.08Å; E68-R72 PolarHBondContact OE1-NE 3.47Å; E68-R72 IonicContact OE1-NH2 3.81Å; E68-R72 PolarHBondContact OE1-NH2 2.89Å; Q69-R72 PolarHBondContact O-N 2.85Å; R72-Q75 PolarHBondContact O-N 3.21Å; R72-L76 WeakPolarHBondContact O-CG 3.38Å; R72-L76 PolarHBondContact O-N 3.43Å; R72-L787 HydrophobicContact CB-CD1 3.33Å; R72-L787 HydrophobicContact CG-CD1 4.43Å
73L89.4Confident88.3Confident31 Ų3183.8 Ų83.816%0.16239%0.394CS..Hα-helixtrans-61.6-46176.9-17861.8000111.5Q69 N70 Q75 L76 E77 L787 K791Q69-L73 WeakPolarHBondContact O-CB 3.35Å; Q69-L73 PolarHBondContact O-N 3.29Å; N70-L73 PolarHBondContact O-N 2.78Å; L73-Q75 VanDerWaalsContact C-N 3.31Å; L73-Q75 PolarHBondContact O-N 2.7Å; L73-L76 WeakPolarHBondContact O-CB 3.33Å; L73-L76 PolarHBondContact O-N 3.07Å; L73-E77 WeakPolarHBondContact O-CG 3.15Å; L73-E77 PolarHBondContact O-N 3.18Å; L73-L787 HydrophobicContact CD1-CB 4.23Å; L73-K791 HydrophobicContact CD1-CB 4.36Å; L73-K791 HydrophobicContact CD1-CD 4.14Å; L73-K791 HydrophobicContact CD2-CB 4.22Å; L73-K791 HydrophobicContact CD2-CD 4.14Å; L73-K791 HydrophobicContact CD2-CG 4.36Å
74Q88Confident87.6Confident109 Ų10981.8 Ų81.851%0.50939%0.387SS..Hα-helixtrans-59-40.5175.2-73.5172.5-2.200112.5N70 K71 E77 L78N70-Q74 VanDerWaalsContact O-CG 3.3Å; N70-Q74 WeakPolarHBondContact O-CG 3.26Å; N70-Q74 PolarHBondContact O-N 3.41Å; K71-Q74 PolarHBondContact O-N 2.73Å; Q74-E77 PolarHBondContact O-N 3.47Å; Q74-L78 WeakPolarHBondContact O-CB 3.45Å; Q74-L78 PolarHBondContact O-N 3.07Å
75Q91Very high87Confident123 Ų12381.3 Ų81.358%0.57539%0.385SS*.Hα-helixtrans-63.8-42.9175.9-71.3173.2-0.200112K71 R72 L73 L78 Q79K71-Q75 WeakPolarHBondContact O-CG 3.47Å; K71-Q75 PolarHBondContact O-N 2.91Å; K71-Q75 VanDerWaalsContact O-N 3.15Å; R72-Q75 PolarHBondContact O-N 3.21Å; L73-Q75 VanDerWaalsContact C-N 3.31Å; L73-Q75 PolarHBondContact O-N 2.7Å; Q75-L78 PolarHBondContact O-N 3.37Å; Q75-Q79 VanDerWaalsContact O-CG 3.31Å; Q75-Q79 WeakPolarHBondContact O-CG 3.22Å; Q75-Q79 PolarHBondContact O-N 3.35Å
76L86Confident86.5Confident65 Ų6587.5 Ų87.534%0.3441%0.405SS..Hα-helixtrans-63.2-41.2176.5-73.1170.3000111.8R72 L73 Q79 Y80 L787R72-L76 WeakPolarHBondContact O-CG 3.38Å; R72-L76 PolarHBondContact O-N 3.43Å; L73-L76 WeakPolarHBondContact O-CB 3.33Å; L73-L76 PolarHBondContact O-N 3.07Å; L76-Q79 PolarHBondContact O-N 2.91Å; L76-Y80 PolarHBondContact O-N 3.03Å; L76-L787 HydrophobicContact CD1-CB 4.15Å; L76-L787 HydrophobicContact CD1-CD1 4.02Å
77E83.2Confident86.1Confident61 Ų6193.1 Ų93.129%0.28543%0.429SS..Hα-helixtrans-63.8-44.3176.6-72.7172.6172.800111.9L73 Q74 Q79 Y80 R81 K791L73-E77 WeakPolarHBondContact O-CG 3.15Å; L73-E77 PolarHBondContact O-N 3.18Å; Q74-E77 PolarHBondContact O-N 3.47Å; E77-Q79 VanDerWaalsContact C-N 3.33Å; E77-Q79 PolarHBondContact O-N 3.39Å; E77-Y80 PolarHBondContact O-N 3.04Å; E77-R81 WeakPolarHBondContact O-CB 3.43Å; E77-R81 PolarHBondContact O-N 3.38Å; E77-K791 IonicContact OE1-NZ 3.58Å; E77-K791 PolarHBondContact OE1-NZ 3.31Å
78L85.3Confident85.5Confident101 Ų10190.3 Ų90.353%0.52941%0.412SS..Hα-helixtrans-61.1-43.1175.5-17961.7000111.5Q74 Q75 Y80 R81 N82Q74-L78 WeakPolarHBondContact O-CB 3.45Å; Q74-L78 PolarHBondContact O-N 3.07Å; Q75-L78 PolarHBondContact O-N 3.37Å; L78-Y80 PolarHBondContact O-N 3.43Å; L78-R81 PolarHBondContact O-N 3.03Å; L78-N82 WeakPolarHBondContact O-CB 3.39Å; L78-N82 PolarHBondContact O-N 3.07Å; L78-N82 PolarHBondContact O-ND2 3.47Å
79Q85.5Confident84.9Confident110 Ų11094.2 Ų94.251%0.51442%0.424SS..Hα-helixtrans-60.6-44.7175.1-73.4175.46.400111.7Q75 L76 E77 N82 Q83Q75-Q79 VanDerWaalsContact O-CG 3.31Å; Q75-Q79 WeakPolarHBondContact O-CG 3.22Å; Q75-Q79 PolarHBondContact O-N 3.35Å; L76-Q79 PolarHBondContact O-N 2.91Å; E77-Q79 VanDerWaalsContact C-N 3.33Å; E77-Q79 PolarHBondContact O-N 3.39Å; Q79-N82 PolarHBondContact O-N 3.06Å; Q79-Q83 WeakPolarHBondContact O-CG 3.26Å; Q79-Q83 PolarHBondContact O-N 3.25Å
80Y78.4Confident84.6Confident111 Ų11199.2 Ų99.244%0.43545%0.446SS..Hα-helixtrans-64.4-43.4178.4-171.8-100.3000112.1L76 E77 L78 N82 Q83 F84L76-Y80 PolarHBondContact O-N 3.03Å; E77-Y80 PolarHBondContact O-N 3.04Å; L78-Y80 PolarHBondContact O-N 3.43Å; Y80-N82 VanDerWaalsContact C-N 3.32Å; Y80-N82 PolarHBondContact O-N 2.85Å; Y80-Q83 WeakPolarHBondContact O-CB 3.35Å; Y80-Q83 PolarHBondContact O-N 3.42Å; Y80-F84 PolarHBondContact O-N 2.69Å
81R77.3Confident84Confident86 Ų86100.4 Ų100.433%0.32545%0.449SS..Hα-helixtrans-59.3-43.6174.5-176.1177.6179.8142.74.1111.6E77 L78 F84 T85E77-R81 WeakPolarHBondContact O-CB 3.43Å; E77-R81 PolarHBondContact O-N 3.38Å; L78-R81 PolarHBondContact O-N 3.03Å; R81-F84 PolarHBondContact O-N 3.28Å; R81-T85 WeakPolarHBondContact O-CB 3.48Å; R81-T85 PolarHBondContact O-N 3.48Å; R81-T85 PolarHBondContact O-OG1 3.38Å
82N84.7Confident83.1Confident92 Ų92100.4 Ų100.449%0.49247%0.465SS..Hα-helixtrans-64.2-41.3175.9-70.6-18.9000111.4L78 Q79 Y80 T85 W86L78-N82 WeakPolarHBondContact O-CB 3.39Å; L78-N82 PolarHBondContact O-N 3.07Å; L78-N82 PolarHBondContact O-ND2 3.47Å; Q79-N82 PolarHBondContact O-N 3.06Å; Y80-N82 VanDerWaalsContact C-N 3.32Å; Y80-N82 PolarHBondContact O-N 2.85Å; N82-T85 PolarHBondContact O-N 2.85Å; N82-W86 VanDerWaalsContact O-CB 3.25Å; N82-W86 WeakPolarHBondContact O-CB 3.18Å; N82-W86 PolarHBondContact O-N 2.79Å
83Q81.8Confident82.5Confident109 Ų10997.6 Ų97.651%0.50946%0.459SS..Hα-helixtrans-63.5-42.1174.9-74.2179.110.100112.5Q79 Y80 W86 K87Q79-Q83 WeakPolarHBondContact O-CG 3.26Å; Q79-Q83 PolarHBondContact O-N 3.25Å; Y80-Q83 WeakPolarHBondContact O-CB 3.35Å; Y80-Q83 PolarHBondContact O-N 3.42Å; Q83-W86 PolarHBondContact O-N 2.68Å; Q83-K87 WeakPolarHBondContact O-CB 3.31Å; Q83-K87 WeakPolarHBondContact O-CG 3.23Å; Q83-K87 PolarHBondContact O-N 3.25Å
84F77.3Confident82Confident45 Ų45104.4 Ų104.420%0.19750%0.496CS..Hα-helixtrans-62.1-49.6175.9178.9-93.4000111Y80 R81 W86 K87 R88 L139 L140Y80-F84 PolarHBondContact O-N 2.69Å; R81-F84 PolarHBondContact O-N 3.28Å; F84-W86 VanDerWaalsContact C-N 3.26Å; F84-W86 PolarHBondContact O-N 2.93Å; F84-K87 PolarHBondContact O-N 2.96Å; F84-R88 PolarHBondContact O-N 2.93Å; F84-L139 HydrophobicContact CD2-CD2 4.05Å; F84-L139 HydrophobicContact CE2-CD2 3.37Å; F84-L139 HydrophobicContact CZ-CD2 3.82Å; F84-L140 HydrophobicContact CE1-CD2 4.04Å
85T79.4Confident82Confident81 Ų81100.7 Ų100.750%0.49748%0.479SS..Hα-helixtrans-56.7-42.6176.4-53.60000111R81 N82 R88 Y89R81-T85 WeakPolarHBondContact O-CB 3.48Å; R81-T85 PolarHBondContact O-N 3.48Å; R81-T85 PolarHBondContact O-OG1 3.38Å; N82-T85 PolarHBondContact O-N 2.85Å; T85-R88 PolarHBondContact O-N 2.69Å; T85-Y89 PolarHBondContact O-N 2.81Å
86W84Confident81.9Confident166 Ų16695.4 Ų95.463%0.62946%0.455SS*.Hα-helixtrans-65-48.7176.7-163.6-102.8000111.8N82 Q83 F84 R88 Y89 F90N82-W86 VanDerWaalsContact O-CB 3.25Å; N82-W86 WeakPolarHBondContact O-CB 3.18Å; N82-W86 PolarHBondContact O-N 2.79Å; Q83-W86 PolarHBondContact O-N 2.68Å; F84-W86 VanDerWaalsContact C-N 3.26Å; F84-W86 PolarHBondContact O-N 2.93Å; W86-R88 VanDerWaalsContact C-N 3.27Å; W86-R88 PolarHBondContact O-N 3.32Å; W86-Y89 WeakPolarHBondContact O-CB 3.36Å; W86-Y89 PolarHBondContact O-N 2.84Å; W86-Y89 VanDerWaalsContact O-N 3.09Å; W86-F90 AromaticContact CD1-CD2 3.88Å; W86-F90 AromaticContact CD1-CE2 3.78Å; W86-F90 HydrophobicContact CD2-CD2 4.46Å; W86-F90 AromaticContact CD2-CE2 3.91Å; W86-F90 HydrophobicContact CD2-CE2 3.91Å; W86-F90 AromaticContact CE2-CE2 3.3Å; W86-F90 HydrophobicContact CG-CD2 4.34Å; W86-F90 HydrophobicContact CG-CE2 4.21Å; W86-F90 HydrophobicContact CH2-CE2 4.37Å; W86-F90 AromaticContact CZ2-CE2 3.58Å; W86-F90 HydrophobicContact CZ2-CE2 3.58Å; W86-F90 AromaticContact CZ2-CZ 3.97Å; W86-F90 HydrophobicContact CZ2-CZ 3.97Å; W86-F90 AromaticContact NE1-CD2 3.76Å; W86-F90 AromaticContact NE1-CE2 3.2Å; W86-F90 VanDerWaalsContact O-CD2 3.3Å; W86-F90 WeakPolarHBondContact O-CD2 3.25Å; W86-F90 PolarHBondContact O-N 3.45Å
87K82.7Confident81.9Confident142 Ų14294.1 Ų94.162%0.61745%0.449SS*.Hα-helixtrans-56.8-42.4176.1-76.5179.7-178.9-1790111.6Q83 F84 F90 Q91Q83-K87 WeakPolarHBondContact O-CB 3.31Å; Q83-K87 WeakPolarHBondContact O-CG 3.23Å; Q83-K87 PolarHBondContact O-N 3.25Å; F84-K87 PolarHBondContact O-N 2.96Å; K87-F90 PolarHBondContact O-N 2.82Å; K87-Q91 WeakPolarHBondContact O-CG 2.94Å; K87-Q91 PolarHBondContact O-N 3.33Å; K87-Q91 VanDerWaalsContact O-N 3.17Å
88R78.8Confident82Confident19 Ų1991.2 Ų91.27%0.07244%0.436CS..Hα-helixtrans-63.5-41176.4-16764.2174.9114.611.5111.6F84 T85 W86 F90 Q91 D93 L95 P96 E136F84-R88 PolarHBondContact O-N 2.93Å; T85-R88 PolarHBondContact O-N 2.69Å; W86-R88 VanDerWaalsContact C-N 3.27Å; W86-R88 PolarHBondContact O-N 3.32Å; R88-F90 PolarHBondContact O-N 2.79Å; R88-Q91 WeakPolarHBondContact O-CB 3.45Å; R88-Q91 PolarHBondContact O-N 2.98Å; R88-Q91 VanDerWaalsContact O-N 3.09Å; R88-D93 IonicContact CZ-OD1 2.97Å; R88-D93 IonicContact NH1-OD1 3.7Å; R88-D93 PolarHBondContact NH1-OD1 2.75Å; R88-D93 IonicContact NH1-OD2 3.56Å; R88-D93 PolarHBondContact NH1-OD2 3.11Å; R88-D93 IonicContact NH2-OD1 3.5Å; R88-L95 PolarHBondContact NH2-O 2.86Å; R88-L95 VanDerWaalsContact NH2-O 3.14Å; R88-P96 PolarHBondContact NH2-O 2.76Å; R88-E136 IonicContact CZ-OE1 3.07Å; R88-E136 IonicContact CZ-OE2 2.81Å; R88-E136 IonicContact NE-OE1 2.78Å; R88-E136 IonicContact NE-OE2 3.7Å; R88-E136 PolarHBondContact NE-OE2 3.3Å; R88-E136 IonicContact NH2-OE1 3.56Å; R88-E136 IonicContact NH2-OE2 3.32Å
89Y81.2Confident82Confident179 Ų17989.9 Ų89.970%0.70243%0.431SS*.Hα-helixtrans-58.9-32.1175.3-177.3-95.5000113.5T85 W86T85-Y89 PolarHBondContact O-N 2.81Å; W86-Y89 WeakPolarHBondContact O-CB 3.36Å; W86-Y89 PolarHBondContact O-N 2.84Å; W86-Y89 VanDerWaalsContact O-N 3.09Å
90F84.8Confident82Confident125 Ų12588 Ų8855%0.54842%0.424SS..THydrogen-bonded Turntrans-90-5.8177.2-77.9-84000114.4W86 K87 R88 C92W86-F90 AromaticContact CD1-CD2 3.88Å; W86-F90 AromaticContact CD1-CE2 3.78Å; W86-F90 HydrophobicContact CD2-CD2 4.46Å; W86-F90 AromaticContact CD2-CE2 3.91Å; W86-F90 HydrophobicContact CD2-CE2 3.91Å; W86-F90 AromaticContact CE2-CE2 3.3Å; W86-F90 HydrophobicContact CG-CD2 4.34Å; W86-F90 HydrophobicContact CG-CE2 4.21Å; W86-F90 HydrophobicContact CH2-CE2 4.37Å; W86-F90 AromaticContact CZ2-CE2 3.58Å; W86-F90 HydrophobicContact CZ2-CE2 3.58Å; W86-F90 AromaticContact CZ2-CZ 3.97Å; W86-F90 HydrophobicContact CZ2-CZ 3.97Å; W86-F90 AromaticContact NE1-CD2 3.76Å; W86-F90 AromaticContact NE1-CE2 3.2Å; W86-F90 VanDerWaalsContact O-CD2 3.3Å; W86-F90 WeakPolarHBondContact O-CD2 3.25Å; W86-F90 PolarHBondContact O-N 3.45Å; K87-F90 PolarHBondContact O-N 2.82Å; R88-F90 PolarHBondContact O-N 2.79Å; F90-C92 PolarHBondContact O-N 2.82Å
91Q79.1Confident82.4Confident94 Ų9486.8 Ų86.844%0.43942%0.423SS..  trans-73.5119.4173-77.1173.7-1.100108.7K87 R88K87-Q91 WeakPolarHBondContact O-CG 2.94Å; K87-Q91 PolarHBondContact O-N 3.33Å; K87-Q91 VanDerWaalsContact O-N 3.17Å; R88-Q91 WeakPolarHBondContact O-CB 3.45Å; R88-Q91 PolarHBondContact O-N 2.98Å; R88-Q91 VanDerWaalsContact O-N 3.09Å
92C74.1Confident83.1Confident136 Ų13687.5 Ų87.592%0.91943%0.433SS*.  trans-100.663.6172.2-59.80000109.2F90F90-C92 PolarHBondContact O-N 2.82Å
93D79.9Confident83.4Confident64 Ų6486.7 Ų86.734%0.34243%0.427SS..  trans-104.5162173.262.43.7000111.9R88 L95R88-D93 IonicContact CZ-OD1 2.97Å; R88-D93 IonicContact NH1-OD1 3.7Å; R88-D93 PolarHBondContact NH1-OD1 2.75Å; R88-D93 IonicContact NH1-OD2 3.56Å; R88-D93 PolarHBondContact NH1-OD2 3.11Å; R88-D93 IonicContact NH2-OD1 3.5Å; D93-L95 PolarHBondContact O-N 3.44Å
94D80.6Confident83.8Confident174 Ų17481.5 Ų81.593%0.9340%0.402SS*.SBendtrans-81.911.9176.7-59.9-38000112.2
95L87.7Confident84.5Confident31 Ų3182.6 Ų82.616%0.16241%0.41CS..SBendtrans-93.2134.5-177.4-67.4175000110.7R88 D93 K129 K132 I133R88-L95 PolarHBondContact NH2-O 2.86Å; R88-L95 VanDerWaalsContact NH2-O 3.14Å; D93-L95 PolarHBondContact O-N 3.44Å; L95-K129 HydrophobicContact CD2-CB 3.7Å; L95-K129 HydrophobicContact CD2-CD 4.49Å; L95-K129 HydrophobicContact CD2-CG 4.01Å; L95-K132 HydrophobicContact CD1-CB 4.28Å; L95-K132 HydrophobicContact CD1-CD 4.2Å; L95-I133 HydrophobicContact CD2-CD1 4.48Å; L95-I133 HydrophobicContact CD2-CG1 4.43Å
96P88.2Confident85.1Confident12 Ų1282.4 Ų82.48%0.07841%0.409CS..PPolyproline II helixtrans-62.6144.7179.929.4-36.6000111.2R88 P98 E103 I104 Y107 I133R88-P96 PolarHBondContact NH2-O 2.76Å; P96-P98 VanDerWaalsContact O-CD 3.29Å; P96-P98 WeakPolarHBondContact O-CD 3.12Å; P96-E103 HydrophobicContact CB-CB 3.85Å; P96-I104 HydrophobicContact CB-CG1 4.43Å; P96-Y107 HydrophobicContact CG-CD1 4.34Å; P96-Y107 HydrophobicContact CG-CD2 4.11Å; P96-Y107 HydrophobicContact CG-CG 3.86Å; P96-I133 HydrophobicContact CG-CD1 3.45Å; P96-I133 VanDerWaalsContact CG-CD1 3.45Å; P96-I133 HydrophobicContact CG-CG1 4.08Å
97N85.8Confident85.5Confident38 Ų3876.4 Ų76.420%0.20339%0.387CS..PPolyproline II helixtrans-73.7118.8173.5-175.7-17.7000110T99 L100 E103N97-T99 PolarHBondContact ND2-OG1 3.07Å; N97-T99 VanDerWaalsContact ND2-OG1 3.15Å; N97-T99 PolarHBondContact O-N 3.46Å; N97-T99 VanDerWaalsContact O-N 3.13Å; N97-T99 WeakPolarHBondContact OD1-CB 3.39Å; N97-T99 PolarHBondContact OD1-N 3.01Å; N97-T99 PolarHBondContact OD1-OG1 2.9Å; N97-L100 HydrophobicContact CB-CB 4.42Å; N97-L100 HydrophobicContact CB-CD1 4.19Å; N97-L100 HydrophobicContact CB-CG 4.31Å; N97-L100 PolarHBondContact O-N 3.34Å; N97-E103 WeakPolarHBondContact CB-OE2 3.05Å; N97-E103 PolarHBondContact N-OE2 3.34Å
98P86.3Confident85.9Confident1 Ų170.4 Ų70.41%0.00636%0.361CS..THydrogen-bonded Turntrans-69-15.1-176.7-15.128.1000114.9P96 L100 I104 I133 E136 L137 L140P96-P98 VanDerWaalsContact O-CD 3.29Å; P96-P98 WeakPolarHBondContact O-CD 3.12Å; P98-L100 PolarHBondContact O-N 2.83Å; P98-I104 HydrophobicContact CB-CD1 4.07Å; P98-I133 HydrophobicContact CG-CG2 4.26Å; P98-E136 WeakPolarHBondContact CD-OE2 3.47Å; P98-E136 HydrophobicContact CG-CB 3.71Å; P98-E136 VanDerWaalsContact CG-OE2 3.3Å; P98-E136 WeakPolarHBondContact CG-OE2 3.32Å; P98-L137 HydrophobicContact CB-CD2 3.54Å; P98-L137 HydrophobicContact CB-CG 3.84Å; P98-L140 HydrophobicContact CB-CD1 4.01Å
99T84.1Confident86.5Confident72 Ų7272.8 Ų72.844%0.44238%0.38SS..THydrogen-bonded Turntrans-73.8-16172.563.90000112.7N97 L140N97-T99 PolarHBondContact ND2-OG1 3.07Å; N97-T99 VanDerWaalsContact ND2-OG1 3.15Å; N97-T99 PolarHBondContact O-N 3.46Å; N97-T99 VanDerWaalsContact O-N 3.13Å; N97-T99 WeakPolarHBondContact OD1-CB 3.39Å; N97-T99 PolarHBondContact OD1-N 3.01Å; N97-T99 PolarHBondContact OD1-OG1 2.9Å; T99-L140 HydrophobicContact CG2-CD1 3.81Å; T99-L140 HydrophobicContact CG2-CD2 4.2Å
100L86.3Confident87Confident70 Ų7069.8 Ų69.837%0.36638%0.376SS..  trans-110.897.6-177.8-61.9179.5000110.6N97 P98 N102 E103 I104N97-L100 HydrophobicContact CB-CB 4.42Å; N97-L100 HydrophobicContact CB-CD1 4.19Å; N97-L100 HydrophobicContact CB-CG 4.31Å; N97-L100 PolarHBondContact O-N 3.34Å; P98-L100 PolarHBondContact O-N 2.83Å; L100-N102 PolarHBondContact O-N 2.83Å; L100-E103 HydrophobicContact CB-CB 4.33Å; L100-E103 HydrophobicContact CB-CG 4Å; L100-E103 HydrophobicContact CD1-CG 4.41Å; L100-E103 WeakPolarHBondContact CD1-OE1 3.34Å; L100-E103 PolarHBondContact O-N 2.88Å; L100-I104 PolarHBondContact O-N 3.36Å
101E87.4Confident87.3Confident87 Ų8764.5 Ų64.541%0.40735%0.353SS..Hα-helixtrans-54.6-37-176.5-172.6179.8156.400113.4E103 I104 N105 K156 M160E101-E103 VanDerWaalsContact C-N 3.35Å; E101-E103 PolarHBondContact O-N 2.67Å; E101-I104 PolarHBondContact O-N 3.35Å; E101-N105 VanDerWaalsContact O-CG 3.28Å; E101-N105 PolarHBondContact O-N 3.27Å; E101-N105 PolarHBondContact O-ND2 3.04Å; E101-K156 IonicContact OE2-NZ 3.51Å; E101-K156 PolarHBondContact OE2-NZ 3.28Å; E101-M160 HydrophobicContact CB-SD 4.35Å; E101-M160 HydrophobicContact CG-SD 4.11Å
102N91.2Very high87.7Confident101 Ų10162.8 Ų62.854%0.5435%0.346SS..Hα-helixtrans-65-34.6177.961.6-38.5000113.1L100 T106L100-N102 PolarHBondContact O-N 2.83Å; N102-T106 VanDerWaalsContact O-CB 3.29Å; N102-T106 WeakPolarHBondContact O-CB 3.47Å; N102-T106 PolarHBondContact O-N 2.92Å; N102-T106 PolarHBondContact O-OG1 2.79Å
103E90.6Very high88.3Confident75 Ų7560.5 Ų60.535%0.3533%0.332SS..Hα-helixtrans-69.9-41.2178.2-67.1-171.7-171.500111.1P96 N97 L100 E101 T106 Y107P96-E103 HydrophobicContact CB-CB 3.85Å; N97-E103 WeakPolarHBondContact CB-OE2 3.05Å; N97-E103 PolarHBondContact N-OE2 3.34Å; L100-E103 HydrophobicContact CB-CB 4.33Å; L100-E103 HydrophobicContact CB-CG 4Å; L100-E103 HydrophobicContact CD1-CG 4.41Å; L100-E103 WeakPolarHBondContact CD1-OE1 3.34Å; L100-E103 PolarHBondContact O-N 2.88Å; E101-E103 VanDerWaalsContact C-N 3.35Å; E101-E103 PolarHBondContact O-N 2.67Å; E103-T106 PolarHBondContact O-N 3.35Å; E103-Y107 VanDerWaalsContact O-CB 3.3Å; E103-Y107 WeakPolarHBondContact O-CB 3.41Å; E103-Y107 PolarHBondContact O-N 2.93Å
104I90.8Very high88.7Confident0 Ų059.9 Ų59.90%033%0.329CS..Hα-helixtrans-63-47.3174.1-69.8175.5000110.7P96 P98 L100 E101 T106 Y107 I108 I133 L137 M160P96-I104 HydrophobicContact CB-CG1 4.43Å; P98-I104 HydrophobicContact CB-CD1 4.07Å; L100-I104 PolarHBondContact O-N 3.36Å; E101-I104 PolarHBondContact O-N 3.35Å; I104-T106 VanDerWaalsContact C-N 3.28Å; I104-T106 PolarHBondContact O-N 2.87Å; I104-Y107 WeakPolarHBondContact O-CB 2.93Å; I104-Y107 PolarHBondContact O-N 3.26Å; I104-I108 HydrophobicContact CG2-CD1 3.75Å; I104-I108 HydrophobicContact CG2-CG1 4.37Å; I104-I108 WeakPolarHBondContact O-CG1 3.4Å; I104-I108 PolarHBondContact O-N 3.29Å; I104-I133 HydrophobicContact CD1-CG2 4.42Å; I104-L137 HydrophobicContact CD1-CD2 4.43Å; I104-M160 HydrophobicContact CB-SD 4.09Å; I104-M160 HydrophobicContact CD1-CB 4.35Å; I104-M160 HydrophobicContact CD1-CE 3.9Å; I104-M160 HydrophobicContact CD1-CG 4.43Å; I104-M160 HydrophobicContact CD1-SD 3.39Å; I104-M160 WeakPolarHBondContact CD1-SD 3.28Å; I104-M160 HydrophobicContact CG1-SD 4.28Å; I104-M160 HydrophobicContact CG2-CB 4.4Å; I104-M160 HydrophobicContact CG2-CG 4.35Å; I104-M160 HydrophobicContact CG2-SD 4.18Å
105N91.4Very high88.7Confident68 Ų6857.6 Ų57.636%0.36431%0.312SS..Hα-helixtrans-61.9-39.2178.8-70.9-20000111.8E101 S109E101-N105 VanDerWaalsContact O-CG 3.28Å; E101-N105 PolarHBondContact O-N 3.27Å; E101-N105 PolarHBondContact O-ND2 3.04Å; N105-S109 VanDerWaalsContact O-CB 3.26Å; N105-S109 WeakPolarHBondContact O-CB 3.49Å; N105-S109 PolarHBondContact O-N 2.78Å
106T92.5Very high88.6Confident77 Ų7764.8 Ų64.847%0.47235%0.345SS..Hα-helixtrans-65.1-44.9174.7-57.60000110.9N102 E103 I104 S109 L110N102-T106 VanDerWaalsContact O-CB 3.29Å; N102-T106 WeakPolarHBondContact O-CB 3.47Å; N102-T106 PolarHBondContact O-N 2.92Å; N102-T106 PolarHBondContact O-OG1 2.79Å; E103-T106 PolarHBondContact O-N 3.35Å; I104-T106 VanDerWaalsContact C-N 3.28Å; I104-T106 PolarHBondContact O-N 2.87Å; T106-S109 PolarHBondContact O-N 2.93Å; T106-L110 HydrophobicContact CG2-CD1 3.89Å; T106-L110 HydrophobicContact CG2-CG 4.24Å; T106-L110 WeakPolarHBondContact O-CB 3.41Å; T106-L110 VanDerWaalsContact O-CG 3.28Å; T106-L110 WeakPolarHBondContact O-CG 3.41Å; T106-L110 PolarHBondContact O-N 3.42Å
107Y93Very high88.4Confident40 Ų4067.5 Ų67.516%0.15735%0.354CS..Hα-helixtrans-57.9-49.6176174.5-96.9000111.7P96 E103 I104 S109 L110 W111 S130 I133 L164P96-Y107 HydrophobicContact CG-CD1 4.34Å; P96-Y107 HydrophobicContact CG-CD2 4.11Å; P96-Y107 HydrophobicContact CG-CG 3.86Å; E103-Y107 VanDerWaalsContact O-CB 3.3Å; E103-Y107 WeakPolarHBondContact O-CB 3.41Å; E103-Y107 PolarHBondContact O-N 2.93Å; I104-Y107 WeakPolarHBondContact O-CB 2.93Å; I104-Y107 PolarHBondContact O-N 3.26Å; Y107-S109 PolarHBondContact O-N 3.48Å; Y107-L110 PolarHBondContact O-N 3.45Å; Y107-W111 HydrophobicContact CE1-CE3 4.28Å; Y107-W111 WeakPolarHBondContact O-CB 3.45Å; Y107-W111 PolarHBondContact O-N 3.22Å; Y107-S130 PolarHBondContact OH-OG 3.38Å; Y107-I133 HydrophobicContact CD1-CD1 4.12Å; Y107-I133 HydrophobicContact CE1-CD1 3.77Å; Y107-I133 HydrophobicContact CE2-CD1 4.45Å; Y107-L164 HydrophobicContact CD1-CD2 4.12Å; Y107-L164 HydrophobicContact CE1-CD2 4.04Å
108I90.8Very high88.4Confident15 Ų1566.7 Ų66.78%0.07735%0.349CS..Hα-helixtrans-59.6-45.4176.9-71.8169.8000111.1I104 W111 N112 E163 L164 Q167I104-I108 HydrophobicContact CG2-CD1 3.75Å; I104-I108 HydrophobicContact CG2-CG1 4.37Å; I104-I108 WeakPolarHBondContact O-CG1 3.4Å; I104-I108 PolarHBondContact O-N 3.29Å; I108-W111 PolarHBondContact O-N 3.08Å; I108-N112 WeakPolarHBondContact O-CB 3.26Å; I108-N112 PolarHBondContact O-N 2.81Å; I108-N112 PolarHBondContact O-ND2 2.92Å; I108-E163 HydrophobicContact CD1-CB 3.99Å; I108-L164 HydrophobicContact CD1-CD2 4.16Å; I108-L164 HydrophobicContact CD1-CG 4.36Å; I108-L164 HydrophobicContact CG1-CD2 3.96Å; I108-Q167 HydrophobicContact CG1-CG 4.37Å; I108-Q167 HydrophobicContact CG2-CG 3.82Å
109S91.4Very high88.3Confident69 Ų6968.7 Ų68.748%0.48336%0.363SS..Hα-helixtrans-64.7-44.4-179.9-177.10000112.7N105 T106 Y107 N112 S113N105-S109 VanDerWaalsContact O-CB 3.26Å; N105-S109 WeakPolarHBondContact O-CB 3.49Å; N105-S109 PolarHBondContact O-N 2.78Å; T106-S109 PolarHBondContact O-N 2.93Å; Y107-S109 PolarHBondContact O-N 3.48Å; S109-N112 PolarHBondContact O-N 3.27Å; S109-S113 WeakPolarHBondContact O-CB 2.95Å; S109-S113 PolarHBondContact O-N 3.17Å; S109-S113 PolarHBondContact O-OG 3.29Å
110L91.8Very high88.4Confident116 Ų11668.2 Ų68.261%0.60736%0.357SS*.Hα-helixtrans-64-42.5175.6-73.1174.5000111.2T106 Y107 N112 S113 N114T106-L110 HydrophobicContact CG2-CD1 3.89Å; T106-L110 HydrophobicContact CG2-CG 4.24Å; T106-L110 WeakPolarHBondContact O-CB 3.41Å; T106-L110 VanDerWaalsContact O-CG 3.28Å; T106-L110 WeakPolarHBondContact O-CG 3.41Å; T106-L110 PolarHBondContact O-N 3.42Å; Y107-L110 PolarHBondContact O-N 3.45Å; L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 3.25Å; L110-S113 PolarHBondContact O-N 2.91Å; L110-N114 PolarHBondContact O-N 2.87Å
111W90.3Very high88.4Confident15 Ų1571.1 Ų71.16%0.05737%0.369CS..Hα-helixtrans-61-45.6176.7-169.621.7000110.7Y107 I108 S113 N114 D126 S130 Q167 I168 K171Y107-W111 HydrophobicContact CE1-CE3 4.28Å; Y107-W111 WeakPolarHBondContact O-CB 3.45Å; Y107-W111 PolarHBondContact O-N 3.22Å; I108-W111 PolarHBondContact O-N 3.08Å; W111-S113 VanDerWaalsContact C-N 3.33Å; W111-S113 PolarHBondContact O-N 3.01Å; W111-N114 PolarHBondContact O-N 3.15Å; W111-D126 HydrophobicContact CZ2-CB 3.98Å; W111-S130 WeakPolarHBondContact CH2-OG 3.48Å; W111-S130 VanDerWaalsContact CZ3-OG 3.29Å; W111-S130 WeakPolarHBondContact CZ3-OG 3.17Å; W111-Q167 HydrophobicContact CE3-CB 3.78Å; W111-Q167 HydrophobicContact CH2-CB 4.4Å; W111-Q167 HydrophobicContact CZ3-CB 3.54Å; W111-I168 HydrophobicContact CH2-CB 4.43Å; W111-I168 HydrophobicContact CH2-CG1 3.78Å; W111-I168 HydrophobicContact CZ3-CG1 4.23Å; W111-K171 HydrophobicContact CD2-CG 4.15Å; W111-K171 HydrophobicContact CH2-CB 4.49Å; W111-K171 HydrophobicContact CH2-CG 4.41Å; W111-K171 HydrophobicContact CZ2-CB 3.83Å; W111-K171 HydrophobicContact CZ2-CG 3.74Å; W111-K171 WeakPolarHBondContact O-CE 3.19Å; W111-K171 PolarHBondContact O-NZ 3.46Å
112N87.2Confident88.5Confident57 Ų5769.1 Ų69.131%0.30536%0.361SS..Hα-helixtrans-62.3-38.2176.9-82.7-27.4000113.9I108 S109 L110 N114 Q167I108-N112 WeakPolarHBondContact O-CB 3.26Å; I108-N112 PolarHBondContact O-N 2.81Å; I108-N112 PolarHBondContact O-ND2 2.92Å; S109-N112 PolarHBondContact O-N 3.27Å; L110-N112 VanDerWaalsContact C-N 3.34Å; L110-N112 PolarHBondContact O-N 3.25Å; N112-N114 VanDerWaalsContact C-N 3.27Å; N112-N114 PolarHBondContact O-N 2.68Å; N112-Q167 VanDerWaalsContact CG-OE1 3.3Å; N112-Q167 PolarHBondContact ND2-OE1 3.44Å; N112-Q167 PolarHBondContact OD1-OE1 2.73Å
113S87.9Confident88.5Confident89 Ų8964.3 Ų64.362%0.62234%0.335SS*.Hα-helixtrans-73.7-19.4178.3-56.30000113.1S109 L110 W111 E115S109-S113 WeakPolarHBondContact O-CB 2.95Å; S109-S113 PolarHBondContact O-N 3.17Å; S109-S113 PolarHBondContact O-OG 3.29Å; L110-S113 PolarHBondContact O-N 2.91Å; W111-S113 VanDerWaalsContact C-N 3.33Å; W111-S113 PolarHBondContact O-N 3.01Å; S113-E115 PolarHBondContact O-N 3.09Å
114N86.6Confident88.3Confident51 Ų5165.3 Ų65.327%0.27334%0.341SS..  trans-78.8106.8179.3-170.1-11.2000111.4L110 W111 N112 Q116 R117 K171L110-N114 PolarHBondContact O-N 2.87Å; W111-N114 PolarHBondContact O-N 3.15Å; N112-N114 VanDerWaalsContact C-N 3.27Å; N112-N114 PolarHBondContact O-N 2.68Å; N114-Q116 PolarHBondContact OD1-N 3.08Å; N114-R117 PolarHBondContact OD1-N 3.27Å; N114-K171 PolarHBondContact O-NZ 3.35Å
115E82.1Confident88.3Confident126 Ų12669.6 Ų69.659%0.58936%0.364SS*.  trans-1013.2174-51.3-160.6136.300113.5S113 L118 R174S113-E115 PolarHBondContact O-N 3.09Å; E115-L118 VanDerWaalsContact O-CD1 3.26Å; E115-L118 WeakPolarHBondContact O-CD1 3.37Å; E115-L118 WeakPolarHBondContact O-CG 3.35Å; E115-R174 VanDerWaalsContact CG-NH2 3.34Å; E115-R174 IonicContact OE1-CZ 3.75Å; E115-R174 IonicContact OE1-NH1 3.25Å; E115-R174 IonicContact OE1-NH2 2.69Å; E115-R174 PolarHBondContact OE1-NH2 2.85Å; E115-R174 IonicContact OE2-NH2 3.15Å
116Q84.2Confident88.2Confident181 Ų18167 Ų6785%0.84635%0.35SS*.SBendtrans-90.2-34.5-177.5-63.6178.8-800112.2N114 L118N114-Q116 PolarHBondContact OD1-N 3.08Å; Q116-L118 PolarHBondContact O-N 3.02Å
117R84.6Confident88Confident70 Ų7063.5 Ų63.526%0.26433%0.329SS..  trans-9378.2175.4-74.6-176.970.475.5-0.8110.6N114 D122 D125 D126N114-R117 PolarHBondContact OD1-N 3.27Å; R117-D122 HydrophobicContact CB-CB 3.96Å; R117-D122 HydrophobicContact CG-CB 4.22Å; R117-D122 IonicContact CZ-OD1 3.42Å; R117-D122 IonicContact NH1-OD1 2.76Å; R117-D122 PolarHBondContact NH1-OD1 3.23Å; R117-D122 VanDerWaalsContact NH2-CA 3.29Å; R117-D122 PolarHBondContact NH2-O 2.62Å; R117-D122 IonicContact NH2-OD1 2.75Å; R117-D122 PolarHBondContact NH2-OD1 3.41Å; R117-D125 IonicContact NH2-OD2 3.55Å; R117-D126 IonicContact NE-OD1 3.23Å; R117-D126 IonicContact NE-OD2 2.79Å; R117-D126 PolarHBondContact NE-OD2 3.22Å; R117-D126 VanDerWaalsContact NE-OD2 3.08Å; R117-D126 IonicContact NH2-OD1 3.77Å
118L85.1Confident87.8Confident20 Ų2065 Ų6511%0.10534%0.339CS..  trans-120.41179.7-65.8178.5000113.8E115 Q116 R174 S175 E178E115-L118 VanDerWaalsContact O-CD1 3.26Å; E115-L118 WeakPolarHBondContact O-CD1 3.37Å; E115-L118 WeakPolarHBondContact O-CG 3.35Å; Q116-L118 PolarHBondContact O-N 3.02Å; L118-R174 HydrophobicContact CD2-CG 3.82Å; L118-S175 WeakPolarHBondContact O-CA 3.21Å; L118-S175 WeakPolarHBondContact O-CB 3.26Å; L118-E178 HydrophobicContact CB-CG 4.46Å
119S86Confident87.8Confident43 Ų4368.2 Ų68.230%0.30135%0.352SS..SBendtrans-64.4154.717071.30000110E121 D122 V123S119-E121 VanDerWaalsContact C-N 3.26Å; S119-E121 PolarHBondContact O-N 3.44Å; S119-D122 PolarHBondContact O-N 3.16Å; S119-D122 WeakPolarHBondContact OG-CB 3.18Å; S119-D122 PolarHBondContact OG-N 3.03Å; S119-D122 PolarHBondContact OG-OD2 2.75Å; S119-V123 WeakPolarHBondContact O-CB 3.14Å; S119-V123 WeakPolarHBondContact O-CG2 3.36Å; S119-V123 PolarHBondContact O-N 3.17Å
120I84.9Confident87.8Confident63 Ų6364.9 Ų64.932%0.32333%0.329SS..Hα-helixtrans-60.7-43177.8-70.1168.9000109.1V123 M124 T179I120-V123 PolarHBondContact O-N 2.91Å; I120-M124 HydrophobicContact CG2-CG 4.13Å; I120-M124 WeakPolarHBondContact O-CB 3.45Å; I120-M124 WeakPolarHBondContact O-CG 3.48Å; I120-M124 PolarHBondContact O-N 3.27Å; I120-T179 HydrophobicContact CD1-CG2 3.83Å; I120-T179 VanDerWaalsContact CD1-OG1 3.25Å; I120-T179 WeakPolarHBondContact CD1-OG1 3.37Å; I120-T179 WeakPolarHBondContact CG1-OG1 3.31Å
121E87.1Confident87.5Confident130 Ų13061.3 Ų61.361%0.60731%0.308SS*.Hα-helixtrans-61.2-48.7179.9-61.775-165.300111.6S119 V123 M124 D125S119-E121 VanDerWaalsContact C-N 3.26Å; S119-E121 PolarHBondContact O-N 3.44Å; E121-V123 VanDerWaalsContact C-N 3.32Å; E121-V123 PolarHBondContact O-N 2.74Å; E121-M124 PolarHBondContact O-N 3.37Å; E121-D125 PolarHBondContact O-N 2.87Å
122D90.1Very high87.4Confident45 Ų4566.1 Ų66.124%0.24133%0.329CS..Hα-helixtrans-63.4-39.7179.8-71.5-44.5000112.4R117 S119 D126R117-D122 HydrophobicContact CB-CB 3.96Å; R117-D122 HydrophobicContact CG-CB 4.22Å; R117-D122 IonicContact CZ-OD1 3.42Å; R117-D122 IonicContact NH1-OD1 2.76Å; R117-D122 PolarHBondContact NH1-OD1 3.23Å; R117-D122 VanDerWaalsContact NH2-CA 3.29Å; R117-D122 PolarHBondContact NH2-O 2.62Å; R117-D122 IonicContact NH2-OD1 2.75Å; R117-D122 PolarHBondContact NH2-OD1 3.41Å; S119-D122 PolarHBondContact O-N 3.16Å; S119-D122 WeakPolarHBondContact OG-CB 3.18Å; S119-D122 PolarHBondContact OG-N 3.03Å; S119-D122 PolarHBondContact OG-OD2 2.75Å; D122-D126 VanDerWaalsContact O-CG 3.31Å; D122-D126 PolarHBondContact O-N 3.18Å; D122-D126 VanDerWaalsContact O-N 3.15Å
123V89.5Confident87.6Confident0 Ų063.4 Ų63.40%032%0.315CS..Hα-helixtrans-70.6-37.7178.9169.70000110.7S119 I120 E121 D126 C127 K171 L172S119-V123 WeakPolarHBondContact O-CB 3.14Å; S119-V123 WeakPolarHBondContact O-CG2 3.36Å; S119-V123 PolarHBondContact O-N 3.17Å; I120-V123 PolarHBondContact O-N 2.91Å; E121-V123 VanDerWaalsContact C-N 3.32Å; E121-V123 PolarHBondContact O-N 2.74Å; V123-D126 PolarHBondContact O-N 2.78Å; V123-C127 WeakPolarHBondContact O-CB 3.41Å; V123-C127 PolarHBondContact O-N 2.82Å; V123-C127 PolarHBondContact O-SG 3.17Å; V123-K171 HydrophobicContact CG1-CB 4.04Å; V123-L172 HydrophobicContact CG1-CD2 3.95Å; V123-L172 HydrophobicContact CG1-CG 4.29Å
124M87.3Confident87.6Confident96 Ų9659.3 Ų59.347%0.47329%0.286SS..Hα-helixtrans-61.5-43.3174.5-72.5-63.8-72.700111.3I120 E121 D126 C127 M128 L172I120-M124 HydrophobicContact CG2-CG 4.13Å; I120-M124 WeakPolarHBondContact O-CB 3.45Å; I120-M124 WeakPolarHBondContact O-CG 3.48Å; I120-M124 PolarHBondContact O-N 3.27Å; E121-M124 PolarHBondContact O-N 3.37Å; M124-D126 VanDerWaalsContact C-N 3.34Å; M124-D126 PolarHBondContact O-N 2.85Å; M124-C127 WeakPolarHBondContact O-CB 3.32Å; M124-C127 PolarHBondContact O-N 3.22Å; M124-M128 WeakPolarHBondContact O-CG 3.19Å; M124-M128 PolarHBondContact O-N 3.46Å; M124-L172 HydrophobicContact SD-CD2 3.96Å
125D89.6Confident87.4Confident91 Ų9160.6 Ų60.649%0.48729%0.293SS..Hα-helixtrans-59.5-43.3174-73.7-19.2000112.3R117 E121 C127 M128 K129R117-D125 IonicContact NH2-OD2 3.55Å; E121-D125 PolarHBondContact O-N 2.87Å; D125-C127 VanDerWaalsContact C-N 3.34Å; D125-M128 PolarHBondContact O-N 3.36Å; D125-K129 WeakPolarHBondContact O-CG 3.44Å; D125-K129 PolarHBondContact O-N 2.81Å; D125-K129 VanDerWaalsContact O-N 3.09Å
126D89.8Confident87.6Confident12 Ų1256.1 Ų56.16%0.06427%0.272CS..Hα-helixtrans-71.6-30.2179.3-66.5-23.3000111.8W111 R117 D122 V123 M124 K129 S130W111-D126 HydrophobicContact CZ2-CB 3.98Å; R117-D126 IonicContact NE-OD1 3.23Å; R117-D126 IonicContact NE-OD2 2.79Å; R117-D126 PolarHBondContact NE-OD2 3.22Å; R117-D126 VanDerWaalsContact NE-OD2 3.08Å; R117-D126 IonicContact NH2-OD1 3.77Å; D122-D126 VanDerWaalsContact O-CG 3.31Å; D122-D126 PolarHBondContact O-N 3.18Å; D122-D126 VanDerWaalsContact O-N 3.15Å; V123-D126 PolarHBondContact O-N 2.78Å; M124-D126 VanDerWaalsContact C-N 3.34Å; M124-D126 PolarHBondContact O-N 2.85Å; D126-K129 IonicContact OD1-NZ 2.81Å; D126-K129 PolarHBondContact OD1-NZ 3.02Å; D126-S130 WeakPolarHBondContact O-CB 3.48Å; D126-S130 PolarHBondContact O-N 3.33Å; D126-S130 PolarHBondContact O-OG 2.88Å
127C88.6Confident87.8Confident4 Ų447.5 Ų47.53%0.02723%0.232CC..Hα-helixtrans-64.3-44.7169.1-67.60000110.8V123 M124 D125 K129 S130 F131 I168V123-C127 WeakPolarHBondContact O-CB 3.41Å; V123-C127 PolarHBondContact O-N 2.82Å; V123-C127 PolarHBondContact O-SG 3.17Å; M124-C127 WeakPolarHBondContact O-CB 3.32Å; M124-C127 PolarHBondContact O-N 3.22Å; D125-C127 VanDerWaalsContact C-N 3.34Å; C127-K129 VanDerWaalsContact C-N 3.34Å; C127-K129 PolarHBondContact O-N 3.3Å; C127-S130 CarbonylContact O-C 3.58Å; C127-S130 WeakPolarHBondContact O-CA 3.38Å; C127-S130 WeakPolarHBondContact O-CB 3.11Å; C127-S130 PolarHBondContact O-N 2.75Å; C127-F131 HydrophobicContact CB-CD2 4.44Å; C127-F131 HydrophobicContact CB-CE2 4.13Å; C127-F131 WeakPolarHBondContact O-CD2 3.29Å; C127-F131 WeakPolarHBondContact O-CG 3.35Å; C127-F131 PolarHBondContact O-N 3.05Å; C127-I168 HydrophobicContact CB-CG2 4.39Å
128M88.9Confident87.7Confident73 Ų7346.4 Ų46.436%0.3623%0.231SC..Hα-helixtrans-61.1-40.6177.1-68.8-53.6-65.800112.5M124 D125 S130 F131 K132M124-M128 WeakPolarHBondContact O-CG 3.19Å; M124-M128 PolarHBondContact O-N 3.46Å; D125-M128 PolarHBondContact O-N 3.36Å; M128-S130 VanDerWaalsContact C-N 3.32Å; M128-S130 PolarHBondContact O-N 2.96Å; M128-F131 PolarHBondContact O-N 3.25Å; M128-F131 HydrophobicContact SD-CD2 4.23Å; M128-K132 WeakPolarHBondContact O-CG 3.45Å; M128-K132 PolarHBondContact O-N 3.44Å; M128-K132 VanDerWaalsContact O-N 3.08Å
129K90.5Very high87.4Confident81 Ų8147.8 Ų47.835%0.35224%0.239SC..Hα-helixtrans-60.3-43.5171.5-68.7172.9-162.6156.10111.7L95 D125 D126 C127 K132 I133L95-K129 HydrophobicContact CD2-CB 3.7Å; L95-K129 HydrophobicContact CD2-CD 4.49Å; L95-K129 HydrophobicContact CD2-CG 4.01Å; D125-K129 WeakPolarHBondContact O-CG 3.44Å; D125-K129 PolarHBondContact O-N 2.81Å; D125-K129 VanDerWaalsContact O-N 3.09Å; D126-K129 IonicContact OD1-NZ 2.81Å; D126-K129 PolarHBondContact OD1-NZ 3.02Å; C127-K129 VanDerWaalsContact C-N 3.34Å; C127-K129 PolarHBondContact O-N 3.3Å; K129-K132 WeakPolarHBondContact O-CB 3.49Å; K129-K132 PolarHBondContact O-N 3.38Å; K129-I133 WeakPolarHBondContact O-CG1 3.45Å; K129-I133 PolarHBondContact O-N 3.46Å
130S90.8Very high87.2Confident0 Ų046.5 Ų46.50%023%0.228CC..Hα-helixtrans-67.3-35.5179.5-55.70000112.3Y107 W111 D126 C127 M128 I133 I134Y107-S130 PolarHBondContact OH-OG 3.38Å; W111-S130 WeakPolarHBondContact CH2-OG 3.48Å; W111-S130 VanDerWaalsContact CZ3-OG 3.29Å; W111-S130 WeakPolarHBondContact CZ3-OG 3.17Å; D126-S130 WeakPolarHBondContact O-CB 3.48Å; D126-S130 PolarHBondContact O-N 3.33Å; D126-S130 PolarHBondContact O-OG 2.88Å; C127-S130 CarbonylContact O-C 3.58Å; C127-S130 WeakPolarHBondContact O-CA 3.38Å; C127-S130 WeakPolarHBondContact O-CB 3.11Å; C127-S130 PolarHBondContact O-N 2.75Å; M128-S130 VanDerWaalsContact C-N 3.32Å; M128-S130 PolarHBondContact O-N 2.96Å; S130-I133 PolarHBondContact O-N 2.98Å; S130-I134 WeakPolarHBondContact O-CG1 3.3Å; S130-I134 PolarHBondContact O-N 2.68Å
131F87.5Confident87.1Confident41 Ų4145.2 Ų45.218%0.1822%0.221CC..Hα-helixtrans-64.4-42.1171.9-72.5-55.2000112.1C127 M128 I133 I134 D135 I168 F231C127-F131 HydrophobicContact CB-CD2 4.44Å; C127-F131 HydrophobicContact CB-CE2 4.13Å; C127-F131 WeakPolarHBondContact O-CD2 3.29Å; C127-F131 WeakPolarHBondContact O-CG 3.35Å; C127-F131 PolarHBondContact O-N 3.05Å; M128-F131 PolarHBondContact O-N 3.25Å; M128-F131 HydrophobicContact SD-CD2 4.23Å; F131-I133 VanDerWaalsContact C-N 3.29Å; F131-I133 PolarHBondContact O-N 3.27Å; F131-I134 HydrophobicContact CD1-CD1 4.2Å; F131-I134 CarbonylContact O-C 3.49Å; F131-I134 WeakPolarHBondContact O-CA 3.07Å; F131-I134 WeakPolarHBondContact O-CB 3.43Å; F131-I134 PolarHBondContact O-N 2.81Å; F131-D135 VanDerWaalsContact O-CG 3.32Å; F131-D135 PolarHBondContact O-N 3.42Å; F131-I168 HydrophobicContact CD1-CD1 4.09Å; F131-I168 HydrophobicContact CE1-CD1 3.81Å; F131-I168 HydrophobicContact CE2-CD1 4.45Å; F131-I168 HydrophobicContact CZ-CD1 4.01Å; F131-I168 HydrophobicContact CZ-CG2 4.25Å; F131-F231 HydrophobicContact CD1-CD2 4.47Å; F131-F231 HydrophobicContact CD1-CE2 4.13Å; F131-F231 AromaticContact CE1-CD2 3.98Å; F131-F231 HydrophobicContact CE1-CD2 3.98Å; F131-F231 HydrophobicContact CE1-CE2 4.05Å; F131-F231 HydrophobicContact CZ-CD2 4.49Å
132K88.1Confident86.5Confident115 Ų11541.8 Ų41.850%0.521%0.212SC..Hα-helixtrans-56.7-41.7173.8-69.4174.7-177.8-179.40112.5L95 M128 K129 D135 E136L95-K132 HydrophobicContact CD1-CB 4.28Å; L95-K132 HydrophobicContact CD1-CD 4.2Å; M128-K132 WeakPolarHBondContact O-CG 3.45Å; M128-K132 PolarHBondContact O-N 3.44Å; M128-K132 VanDerWaalsContact O-N 3.08Å; K129-K132 WeakPolarHBondContact O-CB 3.49Å; K129-K132 PolarHBondContact O-N 3.38Å; K132-D135 PolarHBondContact O-N 2.84Å; K132-E136 PolarHBondContact O-N 2.94Å
133I90.5Very high85.7Confident0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-63.9-42.3175.3-59.8162.7000110.7L95 P96 P98 I104 Y107 K129 S130 F131 D135 E136 L137 L164L95-I133 HydrophobicContact CD2-CD1 4.48Å; L95-I133 HydrophobicContact CD2-CG1 4.43Å; P96-I133 HydrophobicContact CG-CD1 3.45Å; P96-I133 VanDerWaalsContact CG-CD1 3.45Å; P96-I133 HydrophobicContact CG-CG1 4.08Å; P98-I133 HydrophobicContact CG-CG2 4.26Å; I104-I133 HydrophobicContact CD1-CG2 4.42Å; Y107-I133 HydrophobicContact CD1-CD1 4.12Å; Y107-I133 HydrophobicContact CE1-CD1 3.77Å; Y107-I133 HydrophobicContact CE2-CD1 4.45Å; K129-I133 WeakPolarHBondContact O-CG1 3.45Å; K129-I133 PolarHBondContact O-N 3.46Å; S130-I133 PolarHBondContact O-N 2.98Å; F131-I133 VanDerWaalsContact C-N 3.29Å; F131-I133 PolarHBondContact O-N 3.27Å; I133-D135 VanDerWaalsContact C-N 3.31Å; I133-D135 PolarHBondContact O-N 3.45Å; I133-E136 PolarHBondContact O-N 3.01Å; I133-L137 HydrophobicContact CG2-CD1 4.37Å; I133-L137 WeakPolarHBondContact O-CG 3.36Å; I133-L137 PolarHBondContact O-N 2.84Å; I133-L164 HydrophobicContact CB-CD1 4.15Å; I133-L164 HydrophobicContact CG2-CD1 3.56Å
134I87.4Confident85.1Confident4 Ų443.3 Ų43.32%0.02122%0.218CC..Hα-helixtrans-62.3-39.9176.5-70.4164.2000111S130 F131 L137 N138 K161 L164 R165 I168S130-I134 WeakPolarHBondContact O-CG1 3.3Å; S130-I134 PolarHBondContact O-N 2.68Å; F131-I134 HydrophobicContact CD1-CD1 4.2Å; F131-I134 CarbonylContact O-C 3.49Å; F131-I134 WeakPolarHBondContact O-CA 3.07Å; F131-I134 WeakPolarHBondContact O-CB 3.43Å; F131-I134 PolarHBondContact O-N 2.81Å; I134-L137 WeakPolarHBondContact O-CB 3.42Å; I134-L137 PolarHBondContact O-N 3.07Å; I134-N138 VanDerWaalsContact O-CG 3.26Å; I134-N138 PolarHBondContact O-N 3.35Å; I134-N138 PolarHBondContact O-ND2 3.11Å; I134-N138 VanDerWaalsContact O-ND2 3.17Å; I134-K161 HydrophobicContact CG1-CG 4.37Å; I134-K161 HydrophobicContact CG2-CD 4.08Å; I134-K161 HydrophobicContact CG2-CG 3.96Å; I134-L164 HydrophobicContact CD1-CB 4.06Å; I134-L164 HydrophobicContact CG1-CB 4.1Å; I134-L164 HydrophobicContact CG1-CD1 4.03Å; I134-R165 HydrophobicContact CD1-CG 3.76Å; I134-I168 HydrophobicContact CD1-CD1 3.98Å
135D83.3Confident84.4Confident77 Ų7743.5 Ų43.541%0.41222%0.219SC..Hα-helixtrans-66.7-41.4177.9-66-24.8000111.6F131 K132 I133 L137 N138 L139F131-D135 VanDerWaalsContact O-CG 3.32Å; F131-D135 PolarHBondContact O-N 3.42Å; K132-D135 PolarHBondContact O-N 2.84Å; I133-D135 VanDerWaalsContact C-N 3.31Å; I133-D135 PolarHBondContact O-N 3.45Å; D135-L137 VanDerWaalsContact C-N 3.35Å; D135-L137 PolarHBondContact O-N 3.22Å; D135-N138 PolarHBondContact O-N 3.1Å; D135-L139 PolarHBondContact O-N 2.77Å
136E85.9Confident83.5Confident33 Ų3346.6 Ų46.615%0.15424%0.236CC..Hα-helixtrans-61.7-41.7171.2-73.6-173.9-148.600112R88 P98 K132 I133 N138 L139 L140R88-E136 IonicContact CZ-OE1 3.07Å; R88-E136 IonicContact CZ-OE2 2.81Å; R88-E136 IonicContact NE-OE1 2.78Å; R88-E136 IonicContact NE-OE2 3.7Å; R88-E136 PolarHBondContact NE-OE2 3.3Å; R88-E136 IonicContact NH2-OE1 3.56Å; R88-E136 IonicContact NH2-OE2 3.32Å; P98-E136 WeakPolarHBondContact CD-OE2 3.47Å; P98-E136 HydrophobicContact CG-CB 3.71Å; P98-E136 VanDerWaalsContact CG-OE2 3.3Å; P98-E136 WeakPolarHBondContact CG-OE2 3.32Å; K132-E136 PolarHBondContact O-N 2.94Å; I133-E136 PolarHBondContact O-N 3.01Å; E136-N138 VanDerWaalsContact C-N 3.32Å; E136-N138 PolarHBondContact O-N 2.99Å; E136-L139 PolarHBondContact O-N 2.86Å; E136-L140 WeakPolarHBondContact O-CG 3.15Å; E136-L140 PolarHBondContact O-N 3Å
137L87.6Confident82.9Confident0 Ų049 Ų490%025%0.251CS..Hα-helixtrans-60.8-41.4173.9-74.9170.5000111.5P98 I104 I133 I134 D135 L139 L140 I141 Y157 M160 K161 L164P98-L137 HydrophobicContact CB-CD2 3.54Å; P98-L137 HydrophobicContact CB-CG 3.84Å; I104-L137 HydrophobicContact CD1-CD2 4.43Å; I133-L137 HydrophobicContact CG2-CD1 4.37Å; I133-L137 WeakPolarHBondContact O-CG 3.36Å; I133-L137 PolarHBondContact O-N 2.84Å; I134-L137 WeakPolarHBondContact O-CB 3.42Å; I134-L137 PolarHBondContact O-N 3.07Å; D135-L137 VanDerWaalsContact C-N 3.35Å; D135-L137 PolarHBondContact O-N 3.22Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L137-L140 PolarHBondContact O-N 3.27Å; L137-I141 WeakPolarHBondContact O-CB 3.44Å; L137-I141 VanDerWaalsContact O-CG1 3.22Å; L137-I141 WeakPolarHBondContact O-CG1 3.48Å; L137-I141 PolarHBondContact O-N 3.04Å; L137-Y157 HydrophobicContact CD2-CD1 3.81Å; L137-Y157 HydrophobicContact CD2-CE1 4.45Å; L137-Y157 HydrophobicContact CD2-CG 4.15Å; L137-M160 HydrophobicContact CD1-CB 4.18Å; L137-M160 HydrophobicContact CD2-CE 3.93Å; L137-K161 HydrophobicContact CD1-CB 4.3Å; L137-L164 HydrophobicContact CD1-CD1 4.02Å
138N82.3Confident82.6Confident47 Ų4755.1 Ų55.125%0.25128%0.284SS..Hα-helixtrans-64.3-39.9176.4-70-36.2000111.5I134 D135 E136 I141 S142I134-N138 VanDerWaalsContact O-CG 3.26Å; I134-N138 PolarHBondContact O-N 3.35Å; I134-N138 PolarHBondContact O-ND2 3.11Å; I134-N138 VanDerWaalsContact O-ND2 3.17Å; D135-N138 PolarHBondContact O-N 3.1Å; E136-N138 VanDerWaalsContact C-N 3.32Å; E136-N138 PolarHBondContact O-N 2.99Å; N138-I141 PolarHBondContact O-N 3.45Å; N138-S142 PolarHBondContact O-N 3.38Å
139L79.5Confident82.4Confident49 Ų4958.3 Ų58.326%0.25730%0.298SS..Hα-helixtrans-62.9-43.4174.3-178.164.5000111.4F84 D135 E136 L137 S142 Q143F84-L139 HydrophobicContact CD2-CD2 4.05Å; F84-L139 HydrophobicContact CE2-CD2 3.37Å; F84-L139 HydrophobicContact CZ-CD2 3.82Å; D135-L139 PolarHBondContact O-N 2.77Å; E136-L139 PolarHBondContact O-N 2.86Å; L137-L139 VanDerWaalsContact C-N 3.34Å; L139-S142 PolarHBondContact O-N 3.49Å; L139-S142 PolarHBondContact O-OG 3.21Å; L139-Q143 WeakPolarHBondContact O-CG 3.43Å; L139-Q143 PolarHBondContact O-N 3.18Å
140L82.5Confident82Confident15 Ų1554.9 Ų54.98%0.07928%0.283CS..Hα-helixtrans-63.2-42.3175.2-70.2173.7000111.9F84 P98 T99 E136 L137 S142 Q143 L144 Y157F84-L140 HydrophobicContact CE1-CD2 4.04Å; P98-L140 HydrophobicContact CB-CD1 4.01Å; T99-L140 HydrophobicContact CG2-CD1 3.81Å; T99-L140 HydrophobicContact CG2-CD2 4.2Å; E136-L140 WeakPolarHBondContact O-CG 3.15Å; E136-L140 PolarHBondContact O-N 3Å; L137-L140 PolarHBondContact O-N 3.27Å; L140-S142 VanDerWaalsContact C-N 3.3Å; L140-S142 PolarHBondContact O-N 3.03Å; L140-Q143 PolarHBondContact O-N 3.28Å; L140-Q143 VanDerWaalsContact O-N 3.11Å; L140-L144 PolarHBondContact O-N 2.78Å; L140-Y157 HydrophobicContact CB-CD2 4.27Å; L140-Y157 HydrophobicContact CB-CE2 3.88Å
141I82Confident81.6Confident36 Ų3659.2 Ų59.219%0.18530%0.303CS..Hα-helixtrans-58.6-43175-73166000110.5L137 N138 Q143 L144 L154 Y157L137-I141 WeakPolarHBondContact O-CB 3.44Å; L137-I141 VanDerWaalsContact O-CG1 3.22Å; L137-I141 WeakPolarHBondContact O-CG1 3.48Å; L137-I141 PolarHBondContact O-N 3.04Å; N138-I141 PolarHBondContact O-N 3.45Å; I141-Q143 PolarHBondContact O-N 3.08Å; I141-Q143 VanDerWaalsContact O-N 3.14Å; I141-L144 WeakPolarHBondContact O-CB 3.44Å; I141-L144 PolarHBondContact O-N 3.04Å; I141-L144 VanDerWaalsContact O-N 3.16Å; I141-L154 HydrophobicContact CB-CD1 4.43Å; I141-L154 HydrophobicContact CG1-CD1 4.1Å; I141-L154 HydrophobicContact CG2-CD1 3.65Å; I141-Y157 HydrophobicContact CG1-CD2 3.93Å; I141-Y157 HydrophobicContact CG1-CG 4.31Å
142S74.1Confident81.6Confident59 Ų5964.5 Ų64.541%0.41333%0.326SS..Hα-helixtrans-64.9-16178.8780000114.5N138 L139 L140N138-S142 PolarHBondContact O-N 3.38Å; L139-S142 PolarHBondContact O-N 3.49Å; L139-S142 PolarHBondContact O-OG 3.21Å; L140-S142 VanDerWaalsContact C-N 3.3Å; L140-S142 PolarHBondContact O-N 3.03Å
143Q74.5Confident81.6Confident43 Ų4361.8 Ų61.820%0.20131%0.314CS..THydrogen-bonded Turntrans-99.1-4.4179.4-66173.919.900113.5L139 L140 I141L139-Q143 WeakPolarHBondContact O-CG 3.43Å; L139-Q143 PolarHBondContact O-N 3.18Å; L140-Q143 PolarHBondContact O-N 3.28Å; L140-Q143 VanDerWaalsContact O-N 3.11Å; I141-Q143 PolarHBondContact O-N 3.08Å; I141-Q143 VanDerWaalsContact O-N 3.14Å
144L77.4Confident81.4Confident33 Ų3364.5 Ų64.517%0.17333%0.328CS..  trans-70142.3176.4-66.9178.3000110.2L140 I141 D150 K153 L154 Y157L140-L144 PolarHBondContact O-N 2.78Å; I141-L144 WeakPolarHBondContact O-CB 3.44Å; I141-L144 PolarHBondContact O-N 3.04Å; I141-L144 VanDerWaalsContact O-N 3.16Å; L144-D150 HydrophobicContact CB-CB 4.15Å; L144-D150 HydrophobicContact CD2-CB 3.98Å; L144-K153 HydrophobicContact CD1-CB 4.33Å; L144-K153 HydrophobicContact CD2-CB 3.99Å; L144-K153 HydrophobicContact CD2-CD 4.08Å; L144-L154 HydrophobicContact CD1-CB 3.67Å; L144-L154 HydrophobicContact CD1-CD1 4.09Å; L144-L154 HydrophobicContact CD1-CG 4.48Å; L144-Y157 HydrophobicContact CD1-CD2 4.01Å; L144-Y157 HydrophobicContact CD1-CE2 4.27Å; L144-Y157 HydrophobicContact CD2-CE2 4.23Å
145M71.7Confident81.4Confident100 Ų10068.1 Ų68.149%0.49335%0.354SS..  trans-97.4163.9172.7-59.8179.668.200109.7T147 D150M145-T147 HydrophobicContact CB-CG2 4.24Å; M145-T147 PolarHBondContact O-N 3.17Å; M145-D150 WeakPolarHBondContact CB-OD2 3.34Å; M145-D150 PolarHBondContact N-OD2 3.37Å; M145-D150 WeakPolarHBondContact O-CB 3.44Å
146D69.8Low81.7Confident156 Ų15669.4 Ų69.483%0.83436%0.356SS*.SBendtrans-76.862.1176.2-63.4-40.4000111.4
147T79Confident81.8Confident62 Ų6269 Ų6938%0.3835%0.353SS..SBendtrans-116.5152.5175.3660000110.4M145 E149 D150 H151M145-T147 HydrophobicContact CB-CG2 4.24Å; M145-T147 PolarHBondContact O-N 3.17Å; T147-E149 PolarHBondContact O-N 3.03Å; T147-D150 CarbonylContact O-C 3.56Å; T147-D150 PolarHBondContact O-N 3.41Å; T147-D150 VanDerWaalsContact OG1-CB 3.3Å; T147-D150 WeakPolarHBondContact OG1-CB 3.18Å; T147-D150 VanDerWaalsContact OG1-CG 3.29Å; T147-D150 PolarHBondContact OG1-N 3.29Å; T147-D150 PolarHBondContact OG1-OD2 2.95Å; T147-H151 PolarHBondContact O-CD2 2.88Å; T147-H151 VanDerWaalsContact O-CD2 3.29Å; T147-H151 PolarHBondContact O-N 3.4Å
148D82.1Confident81.7Confident134 Ų13471.9 Ų71.972%0.71737%0.369SS*.Hα-helixtrans-57-35.7179.3-72.1-23.1000113.6K152D148-K152 PolarHBondContact O-N 2.85Å
149E83.1Confident82Confident139 Ų13974.2 Ų74.265%0.6538%0.378SS*.Hα-helixtrans-67.4-40.1175.2-68.4-165.5171.400112.1T147 K152 K153T147-E149 PolarHBondContact O-N 3.03Å; E149-K152 PolarHBondContact O-N 3.28Å; E149-K153 WeakPolarHBondContact O-CG 3.45Å; E149-K153 PolarHBondContact O-N 2.79Å; E149-K153 VanDerWaalsContact O-N 3.08Å
150D82.2Confident82.5Confident9 Ų972.3 Ų72.35%0.04837%0.368CS..Hα-helixtrans-74.6-30.2179.3-75.8-12.4000111.7L144 M145 T147 K152 K153 L154L144-D150 HydrophobicContact CB-CB 4.15Å; L144-D150 HydrophobicContact CD2-CB 3.98Å; M145-D150 WeakPolarHBondContact CB-OD2 3.34Å; M145-D150 PolarHBondContact N-OD2 3.37Å; M145-D150 WeakPolarHBondContact O-CB 3.44Å; T147-D150 CarbonylContact O-C 3.56Å; T147-D150 PolarHBondContact O-N 3.41Å; T147-D150 VanDerWaalsContact OG1-CB 3.3Å; T147-D150 WeakPolarHBondContact OG1-CB 3.18Å; T147-D150 VanDerWaalsContact OG1-CG 3.29Å; T147-D150 PolarHBondContact OG1-N 3.29Å; T147-D150 PolarHBondContact OG1-OD2 2.95Å; D150-K152 VanDerWaalsContact C-N 3.32Å; D150-K152 PolarHBondContact O-N 3.16Å; D150-K153 CarbonylContact O-C 3.59Å; D150-K153 PolarHBondContact O-N 2.98Å; D150-K153 IonicContact OD1-NZ 3.8Å; D150-K153 PolarHBondContact OD1-NZ 3.47Å; D150-L154 WeakPolarHBondContact O-CB 3.16Å; D150-L154 PolarHBondContact O-N 3.5Å
151H83.2Confident82.8Confident92 Ų9273.1 Ų73.143%0.42637%0.371SS..Hα-helixtrans-61.2-39.5168.5-71.7-47.1000112.2T147 L154 S155T147-H151 PolarHBondContact O-CD2 2.88Å; T147-H151 VanDerWaalsContact O-CD2 3.29Å; T147-H151 PolarHBondContact O-N 3.4Å; H151-L154 PolarHBondContact O-N 3.35Å; H151-S155 PolarHBondContact O-N 3.31Å
152K88.4Confident83Confident151 Ų15173.8 Ų73.866%0.65737%0.373SS*.Hα-helixtrans-65.7-41.6173-70.3174.2-176.3169.50111.6D148 E149 D150 K156D148-K152 PolarHBondContact O-N 2.85Å; E149-K152 PolarHBondContact O-N 3.28Å; D150-K152 VanDerWaalsContact C-N 3.32Å; D150-K152 PolarHBondContact O-N 3.16Å; K152-K156 WeakPolarHBondContact O-CG 3.31Å; K152-K156 PolarHBondContact O-N 3.29Å; K152-K156 VanDerWaalsContact O-N 3.15Å
153K86.8Confident83.7Confident58 Ų5873.5 Ų73.525%0.25237%0.366SS..Hα-helixtrans-64-41.9174.8-67.8172.9-159.1147.10111.7L144 E149 D150 S155 K156 Y157L144-K153 HydrophobicContact CD1-CB 4.33Å; L144-K153 HydrophobicContact CD2-CB 3.99Å; L144-K153 HydrophobicContact CD2-CD 4.08Å; E149-K153 WeakPolarHBondContact O-CG 3.45Å; E149-K153 PolarHBondContact O-N 2.79Å; E149-K153 VanDerWaalsContact O-N 3.08Å; D150-K153 CarbonylContact O-C 3.59Å; D150-K153 PolarHBondContact O-N 2.98Å; D150-K153 IonicContact OD1-NZ 3.8Å; D150-K153 PolarHBondContact OD1-NZ 3.47Å; K153-S155 PolarHBondContact O-N 2.9Å; K153-K156 WeakPolarHBondContact O-CB 3.38Å; K153-K156 PolarHBondContact O-N 3.45Å; K153-Y157 HydrophobicContact CB-CE2 4.14Å; K153-Y157 VanDerWaalsContact O-CG 3.28Å; K153-Y157 PolarHBondContact O-N 3.02Å
154L86.7Confident84.5Confident57 Ų5771.5 Ų71.530%0.29836%0.356SS..Hα-helixtrans-58.3-47.7177.5179.261.8000111.2I141 L144 D150 H151 K156 Y157 N158I141-L154 HydrophobicContact CB-CD1 4.43Å; I141-L154 HydrophobicContact CG1-CD1 4.1Å; I141-L154 HydrophobicContact CG2-CD1 3.65Å; L144-L154 HydrophobicContact CD1-CB 3.67Å; L144-L154 HydrophobicContact CD1-CD1 4.09Å; L144-L154 HydrophobicContact CD1-CG 4.48Å; D150-L154 WeakPolarHBondContact O-CB 3.16Å; D150-L154 PolarHBondContact O-N 3.5Å; H151-L154 PolarHBondContact O-N 3.35Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 2.76Å; L154-Y157 PolarHBondContact O-N 2.62Å; L154-N158 WeakPolarHBondContact CD1-ND2 3.27Å; L154-N158 WeakPolarHBondContact O-CB 3.38Å; L154-N158 PolarHBondContact O-N 3.24Å; L154-N158 PolarHBondContact O-ND2 2.85Å
155S87.4Confident85Confident81 Ų8172.1 Ų72.157%0.56636%0.356SS*.Hα-helixtrans-58-46.9175.9-178.60000111.3H151 K153 N158 Q159H151-S155 PolarHBondContact O-N 3.31Å; K153-S155 PolarHBondContact O-N 2.9Å; S155-N158 PolarHBondContact O-N 3.33Å; S155-Q159 WeakPolarHBondContact O-CB 3.41Å; S155-Q159 PolarHBondContact O-N 2.78Å
156K88.7Confident85.7Confident103 Ų10371.9 Ų71.945%0.44835%0.354SS..Hα-helixtrans-62.2-47.9176.5-71179.1169.3-138.90113.3E101 K152 K153 L154 N158 Q159 M160E101-K156 IonicContact OE2-NZ 3.51Å; E101-K156 PolarHBondContact OE2-NZ 3.28Å; K152-K156 WeakPolarHBondContact O-CG 3.31Å; K152-K156 PolarHBondContact O-N 3.29Å; K152-K156 VanDerWaalsContact O-N 3.15Å; K153-K156 WeakPolarHBondContact O-CB 3.38Å; K153-K156 PolarHBondContact O-N 3.45Å; L154-K156 VanDerWaalsContact C-N 3.34Å; L154-K156 PolarHBondContact O-N 2.76Å; K156-N158 VanDerWaalsContact C-N 3.33Å; K156-N158 PolarHBondContact O-N 2.67Å; K156-Q159 WeakPolarHBondContact O-CB 2.88Å; K156-Q159 PolarHBondContact O-N 2.84Å; K156-M160 WeakPolarHBondContact O-CG 3.38Å; K156-M160 PolarHBondContact O-N 2.81Å
157Y89.2Confident86.7Confident24 Ų2465.9 Ų65.99%0.09432%0.321CS..Hα-helixtrans-63.2-40179.6-65.6-23.1000111.7L137 L140 I141 L144 K153 L154 M160 K161L137-Y157 HydrophobicContact CD2-CD1 3.81Å; L137-Y157 HydrophobicContact CD2-CE1 4.45Å; L137-Y157 HydrophobicContact CD2-CG 4.15Å; L140-Y157 HydrophobicContact CB-CD2 4.27Å; L140-Y157 HydrophobicContact CB-CE2 3.88Å; I141-Y157 HydrophobicContact CG1-CD2 3.93Å; I141-Y157 HydrophobicContact CG1-CG 4.31Å; L144-Y157 HydrophobicContact CD1-CD2 4.01Å; L144-Y157 HydrophobicContact CD1-CE2 4.27Å; L144-Y157 HydrophobicContact CD2-CE2 4.23Å; K153-Y157 HydrophobicContact CB-CE2 4.14Å; K153-Y157 VanDerWaalsContact O-CG 3.28Å; K153-Y157 PolarHBondContact O-N 3.02Å; L154-Y157 PolarHBondContact O-N 2.62Å; Y157-M160 HydrophobicContact CD1-CE 3.45Å; Y157-M160 VanDerWaalsContact CD1-CE 3.45Å; Y157-M160 HydrophobicContact CE1-CE 4.01Å; Y157-M160 PolarHBondContact O-N 2.92Å; Y157-K161 WeakPolarHBondContact O-CB 3.43Å; Y157-K161 PolarHBondContact O-N 3.11Å
158N86.1Confident87.1Confident61 Ų6163.2 Ų63.233%0.32630%0.304SS..Hα-helixtrans-65.5-39.7174.2-79.9-42.8000112.3L154 S155 K156 K161 H162L154-N158 WeakPolarHBondContact CD1-ND2 3.27Å; L154-N158 WeakPolarHBondContact O-CB 3.38Å; L154-N158 PolarHBondContact O-N 3.24Å; L154-N158 PolarHBondContact O-ND2 2.85Å; S155-N158 PolarHBondContact O-N 3.33Å; K156-N158 VanDerWaalsContact C-N 3.33Å; K156-N158 PolarHBondContact O-N 2.67Å; N158-K161 PolarHBondContact O-N 2.73Å; N158-K161 WeakPolarHBondContact OD1-CE 3.4Å; N158-K161 PolarHBondContact OD1-NZ 3.47Å; N158-H162 WeakPolarHBondContact O-CB 3.25Å; N158-H162 PolarHBondContact O-N 3.3Å
159Q88.3Confident87.3Confident97 Ų9758.9 Ų58.945%0.45328%0.278SS..Hα-helixtrans-61.8-48.2174.3-178.560.52400111.6S155 K156 K161 H162 E163S155-Q159 WeakPolarHBondContact O-CB 3.41Å; S155-Q159 PolarHBondContact O-N 2.78Å; K156-Q159 WeakPolarHBondContact O-CB 2.88Å; K156-Q159 PolarHBondContact O-N 2.84Å; Q159-K161 PolarHBondContact O-N 2.89Å; Q159-H162 WeakPolarHBondContact O-CB 3.23Å; Q159-H162 PolarHBondContact O-N 3.11Å; Q159-H162 VanDerWaalsContact O-N 3.12Å; Q159-E163 PolarHBondContact NE2-OE1 3.39Å; Q159-E163 WeakPolarHBondContact O-CG 3.48Å; Q159-E163 PolarHBondContact O-N 3.4Å
160M90.4Very high87.6Confident8 Ų856.4 Ų56.44%0.03927%0.267CS..Hα-helixtrans-62.8-42.1178.1-70-171.5-62.700112.4E101 I104 L137 K156 Y157 H162 E163 L164E101-M160 HydrophobicContact CB-SD 4.35Å; E101-M160 HydrophobicContact CG-SD 4.11Å; I104-M160 HydrophobicContact CB-SD 4.09Å; I104-M160 HydrophobicContact CD1-CB 4.35Å; I104-M160 HydrophobicContact CD1-CE 3.9Å; I104-M160 HydrophobicContact CD1-CG 4.43Å; I104-M160 HydrophobicContact CD1-SD 3.39Å; I104-M160 WeakPolarHBondContact CD1-SD 3.28Å; I104-M160 HydrophobicContact CG1-SD 4.28Å; I104-M160 HydrophobicContact CG2-CB 4.4Å; I104-M160 HydrophobicContact CG2-CG 4.35Å; I104-M160 HydrophobicContact CG2-SD 4.18Å; L137-M160 HydrophobicContact CD1-CB 4.18Å; L137-M160 HydrophobicContact CD2-CE 3.93Å; K156-M160 WeakPolarHBondContact O-CG 3.38Å; K156-M160 PolarHBondContact O-N 2.81Å; Y157-M160 HydrophobicContact CD1-CE 3.45Å; Y157-M160 VanDerWaalsContact CD1-CE 3.45Å; Y157-M160 HydrophobicContact CE1-CE 4.01Å; Y157-M160 PolarHBondContact O-N 2.92Å; M160-H162 VanDerWaalsContact C-N 3.27Å; M160-H162 PolarHBondContact O-N 2.94Å; M160-E163 PolarHBondContact O-N 2.89Å; M160-L164 WeakPolarHBondContact O-CG 3.42Å; M160-L164 PolarHBondContact O-N 3.41Å
161K87Confident87.9Confident33 Ų3356 Ų5614%0.14326%0.264CS..Hα-helixtrans-58.1-42.4173.1177.917566.6-169.20111.2I134 L137 Y157 N158 Q159 R165I134-K161 HydrophobicContact CG1-CG 4.37Å; I134-K161 HydrophobicContact CG2-CD 4.08Å; I134-K161 HydrophobicContact CG2-CG 3.96Å; L137-K161 HydrophobicContact CD1-CB 4.3Å; Y157-K161 WeakPolarHBondContact O-CB 3.43Å; Y157-K161 PolarHBondContact O-N 3.11Å; N158-K161 PolarHBondContact O-N 2.73Å; N158-K161 WeakPolarHBondContact OD1-CE 3.4Å; N158-K161 PolarHBondContact OD1-NZ 3.47Å; Q159-K161 PolarHBondContact O-N 2.89Å; K161-R165 WeakPolarHBondContact O-CB 3.36Å; K161-R165 VanDerWaalsContact O-CG 3.26Å; K161-R165 WeakPolarHBondContact O-CG 3.3Å; K161-R165 PolarHBondContact O-N 3.14Å
162H86.5Confident88.1Confident49 Ų4953.1 Ų53.123%0.22725%0.252CS..Hα-helixtrans-64.9-46.3178.8-175.353.4000111.9N158 Q159 M160 R165 Q166 F236N158-H162 WeakPolarHBondContact O-CB 3.25Å; N158-H162 PolarHBondContact O-N 3.3Å; Q159-H162 WeakPolarHBondContact O-CB 3.23Å; Q159-H162 PolarHBondContact O-N 3.11Å; Q159-H162 VanDerWaalsContact O-N 3.12Å; M160-H162 VanDerWaalsContact C-N 3.27Å; M160-H162 PolarHBondContact O-N 2.94Å; H162-R165 PolarHBondContact O-N 3.35Å; H162-Q166 PolarHBondContact CD2-NE2 3.22Å; H162-Q166 PolarHBondContact CE1-NE2 3.11Å; H162-Q166 PolarHBondContact NE2-NE2 2.82Å; H162-Q166 WeakPolarHBondContact O-CG 3.39Å; H162-Q166 PolarHBondContact O-N 2.89Å; H162-F236 AromaticContact CE1-CZ 3.8Å; H162-F236 AromaticContact ND1-CZ 3.8Å
163E89.7Confident88.2Confident54 Ų5447.9 Ų47.925%0.25223%0.231SC..Hα-helixtrans-61-46.7177.7-71.5176-168.400111.7I108 Q159 M160 R165 Q166 Q167I108-E163 HydrophobicContact CD1-CB 3.99Å; Q159-E163 PolarHBondContact NE2-OE1 3.39Å; Q159-E163 WeakPolarHBondContact O-CG 3.48Å; Q159-E163 PolarHBondContact O-N 3.4Å; M160-E163 PolarHBondContact O-N 2.89Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3Å; E163-Q166 PolarHBondContact O-N 2.5Å; E163-Q167 VanDerWaalsContact O-CG 3.31Å; E163-Q167 WeakPolarHBondContact O-CG 3.45Å; E163-Q167 PolarHBondContact O-N 2.91Å
164L90.7Very high88.3Confident0 Ų047.2 Ų47.20%023%0.227CC..Hα-helixtrans-57.3-44.8175.4-73.9168.5000111.9Y107 I108 I133 I134 L137 M160 Q167 I168Y107-L164 HydrophobicContact CD1-CD2 4.12Å; Y107-L164 HydrophobicContact CE1-CD2 4.04Å; I108-L164 HydrophobicContact CD1-CD2 4.16Å; I108-L164 HydrophobicContact CD1-CG 4.36Å; I108-L164 HydrophobicContact CG1-CD2 3.96Å; I133-L164 HydrophobicContact CB-CD1 4.15Å; I133-L164 HydrophobicContact CG2-CD1 3.56Å; I134-L164 HydrophobicContact CD1-CB 4.06Å; I134-L164 HydrophobicContact CG1-CB 4.1Å; I134-L164 HydrophobicContact CG1-CD1 4.03Å; L137-L164 HydrophobicContact CD1-CD1 4.02Å; M160-L164 WeakPolarHBondContact O-CG 3.42Å; M160-L164 PolarHBondContact O-N 3.41Å; L164-Q167 PolarHBondContact O-N 3.43Å; L164-I168 WeakPolarHBondContact O-CG1 3.36Å; L164-I168 PolarHBondContact O-N 3.33Å
165R88.1Confident88.3Confident46 Ų4644.6 Ų44.617%0.17421%0.213CC..Hα-helixtrans-61.9-43.9176.4-74.7169170.1-169.1-1.8112I134 K161 H162 E163 Q167 I168 Y169 N233I134-R165 HydrophobicContact CD1-CG 3.76Å; K161-R165 WeakPolarHBondContact O-CB 3.36Å; K161-R165 VanDerWaalsContact O-CG 3.26Å; K161-R165 WeakPolarHBondContact O-CG 3.3Å; K161-R165 PolarHBondContact O-N 3.14Å; H162-R165 PolarHBondContact O-N 3.35Å; E163-R165 VanDerWaalsContact C-N 3.33Å; E163-R165 PolarHBondContact O-N 3Å; R165-Q167 VanDerWaalsContact C-N 3.3Å; R165-Q167 PolarHBondContact O-N 3.5Å; R165-I168 WeakPolarHBondContact O-CB 3.23Å; R165-I168 PolarHBondContact O-N 3.37Å; R165-Y169 WeakPolarHBondContact O-CD2 2.94Å; R165-Y169 PolarHBondContact O-N 3.44Å; R165-N233 WeakPolarHBondContact CD-OD1 3.48Å; R165-N233 PolarHBondContact NE-OD1 3.32Å; R165-N233 PolarHBondContact NH1-OD1 2.91Å
166Q86.9Confident88.4Confident96 Ų9641.5 Ų41.545%0.44919%0.19SC..Hα-helixtrans-61-40.5175.1-71-171.813.800111.8H162 E163 Y169 H170H162-Q166 PolarHBondContact CD2-NE2 3.22Å; H162-Q166 PolarHBondContact CE1-NE2 3.11Å; H162-Q166 PolarHBondContact NE2-NE2 2.82Å; H162-Q166 WeakPolarHBondContact O-CG 3.39Å; H162-Q166 PolarHBondContact O-N 2.89Å; E163-Q166 PolarHBondContact O-N 2.5Å; Q166-Y169 PolarHBondContact O-N 3.28Å; Q166-H170 WeakPolarHBondContact O-CB 3.37Å; Q166-H170 PolarHBondContact O-N 2.92Å
167Q89.5Confident88.3Confident29 Ų2937 Ų3714%0.13617%0.171CC..Hα-helixtrans-65-41177.6-63.6-39.9-52.900112.4I108 W111 N112 E163 L164 R165 Y169 H170 K171I108-Q167 HydrophobicContact CG1-CG 4.37Å; I108-Q167 HydrophobicContact CG2-CG 3.82Å; W111-Q167 HydrophobicContact CE3-CB 3.78Å; W111-Q167 HydrophobicContact CH2-CB 4.4Å; W111-Q167 HydrophobicContact CZ3-CB 3.54Å; N112-Q167 VanDerWaalsContact CG-OE1 3.3Å; N112-Q167 PolarHBondContact ND2-OE1 3.44Å; N112-Q167 PolarHBondContact OD1-OE1 2.73Å; E163-Q167 VanDerWaalsContact O-CG 3.31Å; E163-Q167 WeakPolarHBondContact O-CG 3.45Å; E163-Q167 PolarHBondContact O-N 2.91Å; L164-Q167 PolarHBondContact O-N 3.43Å; R165-Q167 VanDerWaalsContact C-N 3.3Å; R165-Q167 PolarHBondContact O-N 3.5Å; Q167-Y169 VanDerWaalsContact C-N 3.34Å; Q167-Y169 PolarHBondContact O-N 3.07Å; Q167-H170 PolarHBondContact O-N 3.22Å; Q167-K171 WeakPolarHBondContact O-CB 3.49Å; Q167-K171 WeakPolarHBondContact O-CG 3.24Å; Q167-K171 PolarHBondContact O-N 2.83Å
168I89.2Confident88.2Confident7 Ų738.6 Ų38.64%0.03618%0.179CC..Hα-helixtrans-53.6-52.6173.4-72.1165.3000110W111 C127 F131 I134 L164 R165 H170 K171 L172W111-I168 HydrophobicContact CH2-CB 4.43Å; W111-I168 HydrophobicContact CH2-CG1 3.78Å; W111-I168 HydrophobicContact CZ3-CG1 4.23Å; C127-I168 HydrophobicContact CB-CG2 4.39Å; F131-I168 HydrophobicContact CD1-CD1 4.09Å; F131-I168 HydrophobicContact CE1-CD1 3.81Å; F131-I168 HydrophobicContact CE2-CD1 4.45Å; F131-I168 HydrophobicContact CZ-CD1 4.01Å; F131-I168 HydrophobicContact CZ-CG2 4.25Å; I134-I168 HydrophobicContact CD1-CD1 3.98Å; L164-I168 WeakPolarHBondContact O-CG1 3.36Å; L164-I168 PolarHBondContact O-N 3.33Å; R165-I168 WeakPolarHBondContact O-CB 3.23Å; R165-I168 PolarHBondContact O-N 3.37Å; I168-H170 PolarHBondContact O-N 2.93Å; I168-K171 PolarHBondContact O-N 3.18Å; I168-L172 HydrophobicContact CG2-CD1 3.82Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 VanDerWaalsContact O-CG 3.28Å; I168-L172 WeakPolarHBondContact O-CG 2.87Å; I168-L172 PolarHBondContact O-N 3.29Å
169Y86.3Confident88.2Confident42 Ų4237.4 Ų37.417%0.16517%0.174CC..Hα-helixtrans-60.4-46.6177.9-79.3-69.2000112.7R165 Q166 Q167 K171 L172 D173 I229 N233R165-Y169 WeakPolarHBondContact O-CD2 2.94Å; R165-Y169 PolarHBondContact O-N 3.44Å; Q166-Y169 PolarHBondContact O-N 3.28Å; Q167-Y169 VanDerWaalsContact C-N 3.34Å; Q167-Y169 PolarHBondContact O-N 3.07Å; Y169-K171 VanDerWaalsContact C-N 3.31Å; Y169-K171 PolarHBondContact O-N 2.8Å; Y169-L172 PolarHBondContact O-N 2.96Å; Y169-D173 PolarHBondContact O-N 2.94Å; Y169-I229 HydrophobicContact CE1-CD1 3.39Å; Y169-I229 WeakPolarHBondContact OH-CD1 3.44Å; Y169-N233 HydrophobicContact CE2-CB 3.94Å; Y169-N233 PolarHBondContact OH-ND2 3.39Å
170H88.3Confident88Confident88 Ų8834 Ų3441%0.40716%0.159SC..Hα-helixtrans-61.1-40.7-178.8-174.261.1000112.3Q166 Q167 I168 R174Q166-H170 WeakPolarHBondContact O-CB 3.37Å; Q166-H170 PolarHBondContact O-N 2.92Å; Q167-H170 PolarHBondContact O-N 3.22Å; I168-H170 PolarHBondContact O-N 2.93Å; H170-R174 WeakPolarHBondContact O-CB 3.12Å; H170-R174 PolarHBondContact O-N 3.26Å
171K89.4Confident87.8Confident1 Ų134 Ų340%0.00416%0.16CC..Hα-helixtrans-73.3-38.7179-74.9-74.4-170176.90112.5W111 N114 V123 Q167 I168 Y169 R174 S175W111-K171 HydrophobicContact CD2-CG 4.15Å; W111-K171 HydrophobicContact CH2-CB 4.49Å; W111-K171 HydrophobicContact CH2-CG 4.41Å; W111-K171 HydrophobicContact CZ2-CB 3.83Å; W111-K171 HydrophobicContact CZ2-CG 3.74Å; W111-K171 WeakPolarHBondContact O-CE 3.19Å; W111-K171 PolarHBondContact O-NZ 3.46Å; N114-K171 PolarHBondContact O-NZ 3.35Å; V123-K171 HydrophobicContact CG1-CB 4.04Å; Q167-K171 WeakPolarHBondContact O-CB 3.49Å; Q167-K171 WeakPolarHBondContact O-CG 3.24Å; Q167-K171 PolarHBondContact O-N 2.83Å; I168-K171 PolarHBondContact O-N 3.18Å; Y169-K171 VanDerWaalsContact C-N 3.31Å; Y169-K171 PolarHBondContact O-N 2.8Å; K171-R174 PolarHBondContact O-N 3.47Å; K171-S175 PolarHBondContact O-N 3.02Å
172L87.5Confident87.5Confident31 Ų3138.5 Ų38.516%0.16218%0.175CC..Hα-helixtrans-58.7-51.6171.4-75.2170.2000110.7V123 M124 I168 Y169 R174 S175 I176V123-L172 HydrophobicContact CG1-CD2 3.95Å; V123-L172 HydrophobicContact CG1-CG 4.29Å; M124-L172 HydrophobicContact SD-CD2 3.96Å; I168-L172 HydrophobicContact CG2-CD1 3.82Å; I168-L172 WeakPolarHBondContact O-CB 3.46Å; I168-L172 VanDerWaalsContact O-CG 3.28Å; I168-L172 WeakPolarHBondContact O-CG 2.87Å; I168-L172 PolarHBondContact O-N 3.29Å; Y169-L172 PolarHBondContact O-N 2.96Å; L172-R174 PolarHBondContact O-N 3.31Å; L172-S175 PolarHBondContact O-N 3.06Å; L172-S175 PolarHBondContact O-OG 3.37Å; L172-I176 WeakPolarHBondContact O-CD1 3.43Å; L172-I176 VanDerWaalsContact O-CG1 3.26Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 3.01Å
173D89Confident87.3Confident41 Ų4136.6 Ų36.622%0.21917%0.168CC..Hα-helixtrans-55.6-42.5176.4-77.5-9.2000111.9Y169 I176 I177 R338 L365Y169-D173 PolarHBondContact O-N 2.94Å; D173-I176 PolarHBondContact O-N 3.44Å; D173-I177 WeakPolarHBondContact O-CD1 3.43Å; D173-I177 VanDerWaalsContact O-CG1 3.22Å; D173-I177 WeakPolarHBondContact O-CG1 3.35Å; D173-I177 PolarHBondContact O-N 3.44Å; D173-R338 IonicContact OD1-CZ 2.7Å; D173-R338 IonicContact OD1-NH1 2.73Å; D173-R338 PolarHBondContact OD1-NH1 2.81Å; D173-R338 IonicContact OD1-NH2 3.07Å; D173-R338 PolarHBondContact OD1-NH2 3.47Å; D173-L365 HydrophobicContact CB-CD1 4.12Å; D173-L365 WeakPolarHBondContact OD1-CD1 3.5Å
174R88.8Confident86.8Confident44 Ų4437.8 Ų37.817%0.16618%0.175CC..Hα-helixtrans-63.7-41.7177.7-167.4176173.2149.32.8112.3E115 L118 H170 K171 L172 I177 E178E115-R174 VanDerWaalsContact CG-NH2 3.34Å; E115-R174 IonicContact OE1-CZ 3.75Å; E115-R174 IonicContact OE1-NH1 3.25Å; E115-R174 IonicContact OE1-NH2 2.69Å; E115-R174 PolarHBondContact OE1-NH2 2.85Å; E115-R174 IonicContact OE2-NH2 3.15Å; L118-R174 HydrophobicContact CD2-CG 3.82Å; H170-R174 WeakPolarHBondContact O-CB 3.12Å; H170-R174 PolarHBondContact O-N 3.26Å; K171-R174 PolarHBondContact O-N 3.47Å; L172-R174 PolarHBondContact O-N 3.31Å; R174-I177 PolarHBondContact O-N 2.86Å; R174-E178 PolarHBondContact O-N 3.3Å
175S88.3Confident86.2Confident1 Ų144.6 Ų44.61%0.00720%0.202CC..Hα-helixtrans-66.7-37.5176.372.40000112.6L118 K171 L172 E178 T179L118-S175 WeakPolarHBondContact O-CA 3.21Å; L118-S175 WeakPolarHBondContact O-CB 3.26Å; K171-S175 PolarHBondContact O-N 3.02Å; L172-S175 PolarHBondContact O-N 3.06Å; L172-S175 PolarHBondContact O-OG 3.37Å; S175-E178 PolarHBondContact O-N 3.31Å; S175-T179 WeakPolarHBondContact O-CB 3.39Å; S175-T179 PolarHBondContact O-N 3.31Å; S175-T179 PolarHBondContact O-OG1 2.81Å
176I88Confident85.5Confident17 Ų1749.6 Ų49.69%0.08722%0.222CC..Hα-helixtrans-64.2-46.8175.9-66.2159.1000109.3L172 D173 E178 T179 L180 L225 L365L172-I176 WeakPolarHBondContact O-CD1 3.43Å; L172-I176 VanDerWaalsContact O-CG1 3.26Å; L172-I176 WeakPolarHBondContact O-CG1 3.47Å; L172-I176 PolarHBondContact O-N 3.01Å; D173-I176 PolarHBondContact O-N 3.44Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 2.86Å; I176-T179 PolarHBondContact O-N 3.4Å; I176-L180 HydrophobicContact CG2-CD1 3.8Å; I176-L180 HydrophobicContact CG2-CG 4.13Å; I176-L180 WeakPolarHBondContact O-CB 3.4Å; I176-L180 VanDerWaalsContact O-CG 3.27Å; I176-L180 WeakPolarHBondContact O-CG 3.17Å; I176-L180 PolarHBondContact O-N 3.32Å; I176-L225 HydrophobicContact CD1-CD1 3.77Å; I176-L225 HydrophobicContact CD1-CD2 4.08Å; I176-L225 HydrophobicContact CG1-CD1 4.28Å; I176-L225 HydrophobicContact CG2-CD1 4.1Å; I176-L365 HydrophobicContact CG2-CD2 3.95Å
177I87.9Confident84.6Confident9 Ų946.1 Ų46.15%0.04621%0.21CC..Hα-helixtrans-61.2-42.9177.4-66.8163.9000111.2D173 R174 T179 L180 T181 V360 P363 K364 L365D173-I177 WeakPolarHBondContact O-CD1 3.43Å; D173-I177 VanDerWaalsContact O-CG1 3.22Å; D173-I177 WeakPolarHBondContact O-CG1 3.35Å; D173-I177 PolarHBondContact O-N 3.44Å; R174-I177 PolarHBondContact O-N 2.86Å; I177-T179 VanDerWaalsContact C-N 3.3Å; I177-T179 PolarHBondContact O-N 2.96Å; I177-L180 PolarHBondContact O-N 2.82Å; I177-T181 VanDerWaalsContact O-CB 3.24Å; I177-T181 WeakPolarHBondContact O-CB 3.07Å; I177-T181 PolarHBondContact O-N 3.41Å; I177-T181 PolarHBondContact O-OG1 3.47Å; I177-V360 HydrophobicContact CG2-CB 4.43Å; I177-V360 HydrophobicContact CG2-CG2 4.47Å; I177-P363 HydrophobicContact CD1-CB 3.96Å; I177-P363 WeakPolarHBondContact CD1-O 3.38Å; I177-P363 HydrophobicContact CG2-CB 4.35Å; I177-K364 VanDerWaalsContact CD1-C 3.46Å; I177-L365 HydrophobicContact CD1-CD2 4.35Å; I177-L365 HydrophobicContact CD1-CG 4.09Å; I177-L365 HydrophobicContact CG1-CD2 3.54Å; I177-L365 HydrophobicContact CG1-CG 3.82Å
178E85.7Confident83.4Confident57 Ų5746.6 Ų46.627%0.26621%0.213SC..Hα-helixtrans-61.2-42.6177.1-175.360.7-160.600111L118 R174 S175 I176 T181 R182L118-E178 HydrophobicContact CB-CG 4.46Å; R174-E178 PolarHBondContact O-N 3.3Å; S175-E178 PolarHBondContact O-N 3.31Å; I176-E178 VanDerWaalsContact C-N 3.33Å; I176-E178 PolarHBondContact O-N 2.86Å; E178-T181 PolarHBondContact O-N 3.44Å; E178-R182 PolarHBondContact O-N 3.45Å; E178-R182 IonicContact OE1-CZ 3.63Å; E178-R182 IonicContact OE1-NE 3.69Å; E178-R182 PolarHBondContact OE1-NE 3.22Å; E178-R182 IonicContact OE1-NH2 2.71Å; E178-R182 PolarHBondContact OE1-NH2 3.06Å
179T86Confident81.8Confident35 Ų3555.2 Ų55.222%0.21525%0.253CS..Hα-helixtrans-65.1-48.6176.8-55.80000111.5I120 S175 I176 I177 T181 R182 A183 Y186I120-T179 HydrophobicContact CD1-CG2 3.83Å; I120-T179 VanDerWaalsContact CD1-OG1 3.25Å; I120-T179 WeakPolarHBondContact CD1-OG1 3.37Å; I120-T179 WeakPolarHBondContact CG1-OG1 3.31Å; S175-T179 WeakPolarHBondContact O-CB 3.39Å; S175-T179 PolarHBondContact O-N 3.31Å; S175-T179 PolarHBondContact O-OG1 2.81Å; I176-T179 PolarHBondContact O-N 3.4Å; I177-T179 VanDerWaalsContact C-N 3.3Å; I177-T179 PolarHBondContact O-N 2.96Å; T179-T181 VanDerWaalsContact C-N 3.29Å; T179-T181 PolarHBondContact O-N 2.91Å; T179-R182 CarbonylContact O-C 3.59Å; T179-R182 VanDerWaalsContact O-C 3.29Å; T179-R182 WeakPolarHBondContact O-CA 3.39Å; T179-R182 PolarHBondContact O-N 3.48Å; T179-A183 WeakPolarHBondContact O-CA 3.45Å; T179-A183 PolarHBondContact O-N 3.06Å; T179-Y186 HydrophobicContact CG2-CE2 4.26Å
180L86Confident80.4Confident26 Ų2660.4 Ų60.414%0.13628%0.279CS..Hα-helixtrans-62.8-34.5177.5-70.4177.3000112.3I176 I177 R182 A183 A223 V342 L344 P345 Q347 L365I176-L180 HydrophobicContact CG2-CD1 3.8Å; I176-L180 HydrophobicContact CG2-CG 4.13Å; I176-L180 WeakPolarHBondContact O-CB 3.4Å; I176-L180 VanDerWaalsContact O-CG 3.27Å; I176-L180 WeakPolarHBondContact O-CG 3.17Å; I176-L180 PolarHBondContact O-N 3.32Å; I177-L180 PolarHBondContact O-N 2.82Å; L180-R182 PolarHBondContact O-N 2.76Å; L180-A183 WeakPolarHBondContact O-CB 3.31Å; L180-A183 PolarHBondContact O-N 3.16Å; L180-A223 HydrophobicContact CD2-CB 3.82Å; L180-V342 HydrophobicContact CD1-CG2 3.96Å; L180-L344 HydrophobicContact CB-CD1 4.47Å; L180-L344 HydrophobicContact CD2-CD1 4.08Å; L180-P345 HydrophobicContact CB-CG 4.11Å; L180-Q347 PolarHBondContact O-NE2 3.4Å; L180-L365 HydrophobicContact CD1-CD2 4.01Å
181T84.6Confident78.9Confident9 Ų958.2 Ų58.26%0.05527%0.274CS..Hα-helixtrans-69-22.1175.8-59.70000112.1I177 E178 T179 P348 T357I177-T181 VanDerWaalsContact O-CB 3.24Å; I177-T181 WeakPolarHBondContact O-CB 3.07Å; I177-T181 PolarHBondContact O-N 3.41Å; I177-T181 PolarHBondContact O-OG1 3.47Å; E178-T181 PolarHBondContact O-N 3.44Å; T179-T181 VanDerWaalsContact C-N 3.29Å; T179-T181 PolarHBondContact O-N 2.91Å; T181-P348 WeakPolarHBondContact O-CD 3.45Å; T181-P348 WeakPolarHBondContact O-CG 3.43Å; T181-T357 HydrophobicContact CG2-CG2 3.36Å
182R81.6Confident77.3Confident126 Ų12665.3 Ų65.348%0.47531%0.311SS..THydrogen-bonded Turntrans-110.913.2178.6-69.6-170.9-167.7-151.68.7112.7E178 T179 L180 I184 Y185 Y186E178-R182 PolarHBondContact O-N 3.45Å; E178-R182 IonicContact OE1-CZ 3.63Å; E178-R182 IonicContact OE1-NE 3.69Å; E178-R182 PolarHBondContact OE1-NE 3.22Å; E178-R182 IonicContact OE1-NH2 2.71Å; E178-R182 PolarHBondContact OE1-NH2 3.06Å; T179-R182 CarbonylContact O-C 3.59Å; T179-R182 VanDerWaalsContact O-C 3.29Å; T179-R182 WeakPolarHBondContact O-CA 3.39Å; T179-R182 PolarHBondContact O-N 3.48Å; L180-R182 PolarHBondContact O-N 2.76Å; R182-I184 PolarHBondContact O-N 2.83Å; R182-Y185 HydrophobicContact CB-CD2 3.93Å; R182-Y185 HydrophobicContact CB-CE2 4.32Å; R182-Y185 HydrophobicContact CG-CD2 4.43Å; R182-Y185 HydrophobicContact CG-CE2 4.37Å; R182-Y185 VanDerWaalsContact O-CD2 3.27Å; R182-Y185 WeakPolarHBondContact O-CD2 3.26Å; R182-Y185 PolarHBondContact O-N 3.31Å; R182-Y186 HydrophobicContact CB-CE2 4.49Å
183A81.5Confident75.7Confident9 Ų967.2 Ų67.27%0.07432%0.321CS..G310 helixtrans-53.8-37.3-170.300000111.7T179 L180 Y185 Y186 A187 L194 L344T179-A183 WeakPolarHBondContact O-CA 3.45Å; T179-A183 PolarHBondContact O-N 3.06Å; L180-A183 WeakPolarHBondContact O-CB 3.31Å; L180-A183 PolarHBondContact O-N 3.16Å; A183-Y185 PolarHBondContact O-N 2.97Å; A183-Y186 WeakPolarHBondContact O-CA 3.45Å; A183-Y186 WeakPolarHBondContact O-CB 3.4Å; A183-Y186 PolarHBondContact O-N 3.19Å; A183-A187 PolarHBondContact O-N 3.39Å; A183-L194 HydrophobicContact CB-CD1 3.63Å; A183-L194 HydrophobicContact CB-CD2 3.59Å; A183-L194 HydrophobicContact CB-CG 4.24Å; A183-L194 WeakPolarHBondContact O-CD2 3.24Å; A183-L344 HydrophobicContact CB-CD1 4.34Å
184I79.9Confident74.2Confident79 Ų7968.5 Ų68.541%0.40533%0.327SS..G310 helixtrans-51.8-27.6-179.5-157.7166.3000114.7R182 Y186 A187 Q347 P348R182-I184 PolarHBondContact O-N 2.83Å; I184-Y186 VanDerWaalsContact C-N 3.26Å; I184-Y186 PolarHBondContact O-N 3.14Å; I184-A187 VanDerWaalsContact O-CB 3.27Å; I184-A187 WeakPolarHBondContact O-CB 3.17Å; I184-A187 PolarHBondContact O-N 3.09Å; I184-Q347 HydrophobicContact CB-CB 4.34Å; I184-Q347 HydrophobicContact CD1-CB 4.38Å; I184-P348 HydrophobicContact CG2-CB 4.47Å; I184-P348 HydrophobicContact CG2-CG 4.1Å
185Y77Confident72.4Confident143 Ų14372.3 Ų72.356%0.56135%0.347SS*.G310 helixtrans-76-16.8177-59.6-65000113.4R182 A183 P348R182-Y185 HydrophobicContact CB-CD2 3.93Å; R182-Y185 HydrophobicContact CB-CE2 4.32Å; R182-Y185 HydrophobicContact CG-CD2 4.43Å; R182-Y185 HydrophobicContact CG-CE2 4.37Å; R182-Y185 VanDerWaalsContact O-CD2 3.27Å; R182-Y185 WeakPolarHBondContact O-CD2 3.26Å; R182-Y185 PolarHBondContact O-N 3.31Å; A183-Y185 PolarHBondContact O-N 2.97Å; Y185-P348 HydrophobicContact CE2-CG 4.15Å
186Y74.1Confident70.2Confident151 Ų15177.5 Ų77.559%0.59237%0.37SS*.G310 helixtrans-97.92.6173.9-53.1-87.7000111.8T179 R182 A183 I184 D188T179-Y186 HydrophobicContact CG2-CE2 4.26Å; R182-Y186 HydrophobicContact CB-CE2 4.49Å; A183-Y186 WeakPolarHBondContact O-CA 3.45Å; A183-Y186 WeakPolarHBondContact O-CB 3.4Å; A183-Y186 PolarHBondContact O-N 3.19Å; I184-Y186 VanDerWaalsContact C-N 3.26Å; I184-Y186 PolarHBondContact O-N 3.14Å; Y186-D188 PolarHBondContact O-N 3.02Å
187A68.9Low67.9Low23 Ų2381.8 Ų81.819%0.1939%0.391CS..  trans-60.6132.7176.300000111.3A183 I184 H189 L194A183-A187 PolarHBondContact O-N 3.39Å; I184-A187 VanDerWaalsContact O-CB 3.27Å; I184-A187 WeakPolarHBondContact O-CB 3.17Å; I184-A187 PolarHBondContact O-N 3.09Å; A187-H189 PolarHBondContact O-N 2.82Å; A187-L194 HydrophobicContact CB-CD2 3.99Å
188D64.1Low65.6Low39 Ų3993.3 Ų93.321%0.20944%0.435CS..  trans-63.5127.9174.5172.664.2000109.6Y186 E190 S191 L192 N193 K196Y186-D188 PolarHBondContact O-N 3.02Å; D188-E190 PolarHBondContact O-N 3.34Å; D188-E190 PolarHBondContact OD2-N 3.09Å; D188-S191 WeakPolarHBondContact CB-OG 3.32Å; D188-S191 WeakPolarHBondContact OD2-CB 3.36Å; D188-S191 PolarHBondContact OD2-N 3.42Å; D188-S191 PolarHBondContact OD2-OG 3.17Å; D188-L192 WeakPolarHBondContact O-CA 3.1Å; D188-L192 PolarHBondContact O-N 3.31Å; D188-N193 PolarHBondContact N-O 3.19Å; D188-K196 HydrophobicContact CB-CB 4.47Å
189H55.9Low64.1Low189 Ų18995.3 Ų95.388%0.87545%0.446SS*.THydrogen-bonded Turntrans-63.6-23.6-175.3-74.2-58.5000113.3A187A187-H189 PolarHBondContact O-N 2.82Å
190E56.5Low63.1Low151 Ų151102 Ų10271%0.70647%0.472SS*.THydrogen-bonded Turntrans-89.4-45.1-177.7-63.7-176.8153.900112.5D188 K196D188-E190 PolarHBondContact O-N 3.34Å; D188-E190 PolarHBondContact OD2-N 3.09Å; E190-K196 IonicContact OE2-NZ 3.33Å; E190-K196 PolarHBondContact OE2-NZ 3.17Å
191S56Low62.6Low42 Ų42105.2 Ų105.229%0.29449%0.486SS..THydrogen-bonded Turntrans-94.7-15-174.458.90000114.6D188 N193D188-S191 WeakPolarHBondContact CB-OG 3.32Å; D188-S191 WeakPolarHBondContact OD2-CB 3.36Å; D188-S191 PolarHBondContact OD2-N 3.42Å; D188-S191 PolarHBondContact OD2-OG 3.17Å; S191-N193 PolarHBondContact O-N 3.01Å
192L55.6Low62.4Low149 Ų149106.8 Ų106.878%0.7849%0.493SS*.  trans56.5-3.7-167-66.7165.5000114.4D188D188-L192 WeakPolarHBondContact O-CA 3.1Å; D188-L192 PolarHBondContact O-N 3.31Å
193N54.8Low62.4Low71 Ų71104 Ų10438%0.3849%0.49SS..SBendtrans-68.2151.7166.2-71-15.4000108.1D188 S191 Q195D188-N193 PolarHBondContact N-O 3.19Å; S191-N193 PolarHBondContact O-N 3.01Å; N193-Q195 WeakPolarHBondContact CB-O 3.3Å; N193-Q195 PolarHBondContact O-N 2.73Å
194L56.4Low62.3Low68 Ų68106.9 Ų106.936%0.35650%0.501SS..SBendtrans-64.3-5.6174.1-69.2166.4000113.3A183 A187 L344A183-L194 HydrophobicContact CB-CD1 3.63Å; A183-L194 HydrophobicContact CB-CD2 3.59Å; A183-L194 HydrophobicContact CB-CG 4.24Å; A183-L194 WeakPolarHBondContact O-CD2 3.24Å; A187-L194 HydrophobicContact CB-CD2 3.99Å; L194-L344 HydrophobicContact CD1-CD1 4.32Å; L194-L344 HydrophobicContact CD1-CD2 3.83Å
195Q52.2Low62.1Low125 Ų125108.6 Ų108.658%0.58452%0.515SS*.SBendtrans-160.5149.6163.2-153.4164.5-100110.6N193 I197N193-Q195 WeakPolarHBondContact CB-O 3.3Å; N193-Q195 PolarHBondContact O-N 2.73Å; Q195-I197 PolarHBondContact O-N 2.9Å
196K40.5Very low61.8Low110 Ų110110.8 Ų110.848%0.47853%0.531SS..SBendtrans-58.8128.3175.6-166.7169.1176.4143.30109.4D188 E190D188-K196 HydrophobicContact CB-CB 4.47Å; E190-K196 IonicContact OE2-NZ 3.33Å; E190-K196 PolarHBondContact OE2-NZ 3.17Å
197I41.4Very low61.8Low106 Ų106108.1 Ų108.154%0.54453%0.525SS..  trans133.6120.3151.3-65.4158.6000114.5Q195 I199Q195-I197 PolarHBondContact O-N 2.9Å; I197-I199 HydrophobicContact CG2-CB 3.54Å; I197-I199 HydrophobicContact CG2-CD1 3.09Å; I197-I199 HydrophobicContact CG2-CG1 3.07Å; I197-I199 PolarHBondContact O-N 3.06Å
198W38.3Very low62.5Low251 Ų251110.2 Ų110.295%0.95153%0.534SS*.  trans-83.561.8170.5-11561.4000111.2
199I54.6Low63.5Low99 Ų99108.8 Ų108.851%0.50853%0.526SS..  trans-118.7140.6-176.8-66.8173.6000110.9I197 Q201I197-I199 HydrophobicContact CG2-CB 3.54Å; I197-I199 HydrophobicContact CG2-CD1 3.09Å; I197-I199 HydrophobicContact CG2-CG1 3.07Å; I197-I199 PolarHBondContact O-N 3.06Å; I199-Q201 WeakPolarHBondContact CB-O 3.28Å; I199-Q201 HydrophobicContact CG2-CB 4.35Å; I199-Q201 WeakPolarHBondContact CG2-O 3.42Å; I199-Q201 PolarHBondContact O-N 2.92Å
200K65.2Low65.1Low175 Ų175101 Ų10176%0.76149%0.491SS*.SBendtrans-52.3-14.1172.8-67.3180175.7-178.80113.9D212 I213K200-D212 CarbonylContact O-C 3.48Å; K200-D212 WeakPolarHBondContact O-CA 3.38Å; K200-I213 PolarHBondContact O-N 2.92Å
201Q76.6Confident66.7Low94 Ų9494 Ų9444%0.43946%0.458SS..EExtended strand (participates in β ladder)trans-143.4149.9-173.6-47.6-170.2-46.500108.5I199 T210 F211 D212I199-Q201 WeakPolarHBondContact CB-O 3.28Å; I199-Q201 HydrophobicContact CG2-CB 4.35Å; I199-Q201 WeakPolarHBondContact CG2-O 3.42Å; I199-Q201 PolarHBondContact O-N 2.92Å; Q201-T210 HydrophobicContact CB-CG2 4.11Å; Q201-F211 CarbonylContact C-O 3.55Å; Q201-F211 WeakPolarHBondContact CA-O 3.46Å; Q201-D212 VanDerWaalsContact CD-OD1 3.26Å; Q201-D212 WeakPolarHBondContact CG-OD1 3.5Å; Q201-D212 PolarHBondContact NE2-OD1 2.81Å
202F79.4Confident68.3Low43 Ų4393.9 Ų93.919%0.18946%0.455CS..EExtended strand (participates in β ladder)trans-123.5134.8173.4-176.5-85000109.6F204 T210 F211 I213F202-F204 AromaticContact CD1-CD2 3.94Å; F202-F204 HydrophobicContact CD1-CD2 3.94Å; F202-F204 AromaticContact CD1-CE2 3.74Å; F202-F204 HydrophobicContact CD1-CE2 3.74Å; F202-F204 HydrophobicContact CD1-CG 4.45Å; F202-F204 HydrophobicContact CD1-CZ 4.08Å; F202-F204 AromaticContact CE1-CD1 3.8Å; F202-F204 HydrophobicContact CE1-CD1 3.8Å; F202-F204 AromaticContact CE1-CD2 3.76Å; F202-F204 HydrophobicContact CE1-CD2 3.76Å; F202-F204 AromaticContact CE1-CE1 3.59Å; F202-F204 HydrophobicContact CE1-CE1 3.59Å; F202-F204 AromaticContact CE1-CE2 3.55Å; F202-F204 HydrophobicContact CE1-CE2 3.55Å; F202-F204 AromaticContact CE1-CG 3.88Å; F202-F204 HydrophobicContact CE1-CG 3.88Å; F202-F204 AromaticContact CE1-CZ 3.48Å; F202-F204 HydrophobicContact CE1-CZ 3.48Å; F202-F204 VanDerWaalsContact CE1-CZ 3.48Å; F202-F204 HydrophobicContact CZ-CE1 4.27Å; F202-F204 HydrophobicContact CZ-CZ 4.39Å; F202-T210 CarbonylContact O-C 3.59Å; F202-T210 WeakPolarHBondContact O-CA 3.23Å; F202-F211 HydrophobicContact CB-CD1 4.46Å; F202-F211 HydrophobicContact CB-CE1 3.87Å; F202-F211 HydrophobicContact CB-CZ 3.95Å; F202-F211 AromaticContact CD1-CE1 3.68Å; F202-F211 HydrophobicContact CD1-CE1 3.68Å; F202-F211 HydrophobicContact CD1-CZ 4.18Å; F202-F211 HydrophobicContact CG-CE1 4.16Å; F202-F211 HydrophobicContact CG-CZ 4.32Å; F202-F211 PolarHBondContact N-O 2.93Å; F202-F211 PolarHBondContact O-N 2.74Å; F202-I213 HydrophobicContact CB-CD1 3.84Å; F202-I213 HydrophobicContact CB-CG1 4.43Å
203T82Confident69.8Low67 Ų6788.5 Ų88.541%0.41143%0.427SS..EExtended strand (participates in β ladder)trans-120.7121.9-179.3-58.10000110.6T205 L209 T210T203-T205 PolarHBondContact O-N 3.46Å; T203-L209 CarbonylContact C-O 3.51Å; T203-L209 WeakPolarHBondContact CA-O 3.48Å; T203-T210 WeakPolarHBondContact CB-OG1 3.45Å; T203-T210 VanDerWaalsContact CG2-OG1 3.27Å; T203-T210 WeakPolarHBondContact CG2-OG1 3.39Å; T203-T210 VanDerWaalsContact OG1-CG2 3.27Å; T203-T210 WeakPolarHBondContact OG1-CG2 3.46Å; T203-T210 PolarHBondContact OG1-OG1 2.84Å
204F78.7Confident71.4Confident70 Ų7085.7 Ų85.731%0.30741%0.412SS..EExtended strand (participates in β ladder)trans-81102.1164.4-68.2-83.9000109.1F202 E206 I207 D208 L209 F211 I226F202-F204 AromaticContact CD1-CD2 3.94Å; F202-F204 HydrophobicContact CD1-CD2 3.94Å; F202-F204 AromaticContact CD1-CE2 3.74Å; F202-F204 HydrophobicContact CD1-CE2 3.74Å; F202-F204 HydrophobicContact CD1-CG 4.45Å; F202-F204 HydrophobicContact CD1-CZ 4.08Å; F202-F204 AromaticContact CE1-CD1 3.8Å; F202-F204 HydrophobicContact CE1-CD1 3.8Å; F202-F204 AromaticContact CE1-CD2 3.76Å; F202-F204 HydrophobicContact CE1-CD2 3.76Å; F202-F204 AromaticContact CE1-CE1 3.59Å; F202-F204 HydrophobicContact CE1-CE1 3.59Å; F202-F204 AromaticContact CE1-CE2 3.55Å; F202-F204 HydrophobicContact CE1-CE2 3.55Å; F202-F204 AromaticContact CE1-CG 3.88Å; F202-F204 HydrophobicContact CE1-CG 3.88Å; F202-F204 AromaticContact CE1-CZ 3.48Å; F202-F204 HydrophobicContact CE1-CZ 3.48Å; F202-F204 VanDerWaalsContact CE1-CZ 3.48Å; F202-F204 HydrophobicContact CZ-CE1 4.27Å; F202-F204 HydrophobicContact CZ-CZ 4.39Å; F204-E206 PolarHBondContact O-N 2.88Å; F204-I207 PolarHBondContact O-N 3.01Å; F204-D208 WeakPolarHBondContact O-CA 3.48Å; F204-D208 PolarHBondContact O-N 3.31Å; F204-L209 HydrophobicContact CD2-CD2 3.85Å; F204-L209 HydrophobicContact CE2-CD2 4.32Å; F204-L209 PolarHBondContact N-O 3.47Å; F204-L209 PolarHBondContact O-N 3Å; F204-F211 HydrophobicContact CD2-CE1 4.36Å; F204-F211 HydrophobicContact CE2-CD1 4.49Å; F204-F211 AromaticContact CE2-CE1 3.73Å; F204-F211 HydrophobicContact CE2-CE1 3.73Å; F204-I226 HydrophobicContact CD2-CD1 4.18Å; F204-I226 HydrophobicContact CE2-CB 4.48Å; F204-I226 HydrophobicContact CE2-CD1 3.48Å; F204-I226 VanDerWaalsContact CE2-CD1 3.48Å; F204-I226 HydrophobicContact CE2-CG1 4.15Å; F204-I226 HydrophobicContact CZ-CD1 4.29Å
205T75.6Confident72.7Confident115 Ų11590.4 Ų90.471%0.70643%0.43SS*.THydrogen-bonded Turntrans-64.2-25.5-17751.50000113.8T203T203-T205 PolarHBondContact O-N 3.46Å
206E71.4Confident74.4Confident189 Ų18985.4 Ų85.488%0.88341%0.408SS*.THydrogen-bonded Turntrans-76-26.7-179.1-64.8179.6-178.900113.1F204F204-E206 PolarHBondContact O-N 2.88Å
207I73.2Confident76.6Confident94 Ų9480.5 Ų80.548%0.48239%0.386SS..THydrogen-bonded Turntrans-116.9-3.5-175.2-51.8173.7000111F204 L209F204-I207 PolarHBondContact O-N 3.01Å; I207-L209 PolarHBondContact O-N 3.33Å
208D83.4Confident78.5Confident68 Ų6879.5 Ų79.536%0.36439%0.386SS..THydrogen-bonded Turntrans50.739.5-173.3-89.5-7.1000112.8F204 R407F204-D208 WeakPolarHBondContact O-CA 3.48Å; F204-D208 PolarHBondContact O-N 3.31Å; D208-R407 HydrophobicContact CB-CB 3.57Å; D208-R407 PolarHBondContact O-N 3.24Å; D208-R407 WeakPolarHBondContact OD2-CD 3.41Å; D208-R407 IonicContact OD2-CZ 2.76Å; D208-R407 IonicContact OD2-NE 2.69Å; D208-R407 PolarHBondContact OD2-NE 3.49Å; D208-R407 IonicContact OD2-NH2 2.83Å
209L86.8Confident80.6Confident9 Ų974 Ų745%0.04737%0.374CS..EExtended strand (participates in β ladder)trans-102123174.5-175.6152.1000109.4T203 F204 I207 F211 I226 K405 I406T203-L209 CarbonylContact C-O 3.51Å; T203-L209 WeakPolarHBondContact CA-O 3.48Å; F204-L209 HydrophobicContact CD2-CD2 3.85Å; F204-L209 HydrophobicContact CE2-CD2 4.32Å; F204-L209 PolarHBondContact N-O 3.47Å; F204-L209 PolarHBondContact O-N 3Å; I207-L209 PolarHBondContact O-N 3.33Å; L209-F211 HydrophobicContact CD2-CD1 3.77Å; L209-F211 HydrophobicContact CD2-CE1 4.47Å; L209-I226 HydrophobicContact CD1-CD1 4.39Å; L209-I226 HydrophobicContact CD1-CG2 4.01Å; L209-I226 HydrophobicContact CD2-CD1 3.51Å; L209-K405 CarbonylContact C-O 3.46Å; L209-K405 WeakPolarHBondContact CA-O 3.46Å; L209-I406 HydrophobicContact CB-CG2 4.32Å; L209-I406 HydrophobicContact CD1-CG2 3.62Å; L209-I406 HydrophobicContact CG-CG2 3.74Å
210T89.5Confident82Confident24 Ų2471 Ų7115%0.14736%0.362CS..EExtended strand (participates in β ladder)trans-121.3138.8176.4-56.30000110.2Q201 F202 T203 V404 K405Q201-T210 HydrophobicContact CB-CG2 4.11Å; F202-T210 CarbonylContact O-C 3.59Å; F202-T210 WeakPolarHBondContact O-CA 3.23Å; T203-T210 WeakPolarHBondContact CB-OG1 3.45Å; T203-T210 VanDerWaalsContact CG2-OG1 3.27Å; T203-T210 WeakPolarHBondContact CG2-OG1 3.39Å; T203-T210 VanDerWaalsContact OG1-CG2 3.27Å; T203-T210 WeakPolarHBondContact OG1-CG2 3.46Å; T203-T210 PolarHBondContact OG1-OG1 2.84Å; T210-V404 CarbonylContact O-C 3.53Å; T210-V404 WeakPolarHBondContact O-CA 3.44Å; T210-K405 PolarHBondContact N-O 2.71Å; T210-K405 PolarHBondContact O-N 2.9Å
211F90.1Very high83Confident4 Ų468.8 Ų68.82%0.01836%0.358CS..EExtended strand (participates in β ladder)trans-143.3150.7172.966-79000112.1Q201 F202 F204 L209 I213 F224 I226 F339 I402 Q403 V404Q201-F211 CarbonylContact C-O 3.55Å; Q201-F211 WeakPolarHBondContact CA-O 3.46Å; F202-F211 HydrophobicContact CB-CD1 4.46Å; F202-F211 HydrophobicContact CB-CE1 3.87Å; F202-F211 HydrophobicContact CB-CZ 3.95Å; F202-F211 AromaticContact CD1-CE1 3.68Å; F202-F211 HydrophobicContact CD1-CE1 3.68Å; F202-F211 HydrophobicContact CD1-CZ 4.18Å; F202-F211 HydrophobicContact CG-CE1 4.16Å; F202-F211 HydrophobicContact CG-CZ 4.32Å; F202-F211 PolarHBondContact N-O 2.93Å; F202-F211 PolarHBondContact O-N 2.74Å; F204-F211 HydrophobicContact CD2-CE1 4.36Å; F204-F211 HydrophobicContact CE2-CD1 4.49Å; F204-F211 AromaticContact CE2-CE1 3.73Å; F204-F211 HydrophobicContact CE2-CE1 3.73Å; L209-F211 HydrophobicContact CD2-CD1 3.77Å; L209-F211 HydrophobicContact CD2-CE1 4.47Å; F211-I213 HydrophobicContact CD2-CG1 4.19Å; F211-I213 HydrophobicContact CE2-CD1 4.23Å; F211-I213 HydrophobicContact CE2-CG1 3.74Å; F211-I213 HydrophobicContact CZ-CG1 4.47Å; F211-F224 HydrophobicContact CD2-CD1 4.28Å; F211-F224 HydrophobicContact CD2-CE1 4.15Å; F211-F224 HydrophobicContact CE2-CB 4.34Å; F211-F224 AromaticContact CE2-CD1 3.58Å; F211-F224 HydrophobicContact CE2-CD1 3.58Å; F211-F224 AromaticContact CE2-CD2 3.89Å; F211-F224 HydrophobicContact CE2-CD2 3.89Å; F211-F224 AromaticContact CE2-CE1 3.69Å; F211-F224 HydrophobicContact CE2-CE1 3.69Å; F211-F224 HydrophobicContact CE2-CE2 4.01Å; F211-F224 AromaticContact CE2-CG 3.67Å; F211-F224 HydrophobicContact CE2-CG 3.67Å; F211-F224 AromaticContact CE2-CZ 3.9Å; F211-F224 HydrophobicContact CE2-CZ 3.9Å; F211-F224 HydrophobicContact CZ-CB 4.06Å; F211-F224 HydrophobicContact CZ-CD1 4.14Å; F211-F224 HydrophobicContact CZ-CD2 4.2Å; F211-F224 AromaticContact CZ-CG 3.88Å; F211-F224 HydrophobicContact CZ-CG 3.88Å; F211-I226 HydrophobicContact CD1-CD1 4.06Å; F211-I226 HydrophobicContact CE1-CD1 3.89Å; F211-F339 HydrophobicContact CB-CZ 4.47Å; F211-F339 HydrophobicContact CD2-CE2 4.39Å; F211-F339 HydrophobicContact CD2-CZ 4.23Å; F211-F339 HydrophobicContact CG-CE2 4.23Å; F211-F339 HydrophobicContact CG-CZ 4.33Å; F211-I402 HydrophobicContact CB-CG2 4.28Å; F211-I402 HydrophobicContact CD2-CG2 4.5Å; F211-Q403 CarbonylContact C-O 3.5Å; F211-Q403 WeakPolarHBondContact CA-O 3.4Å; F211-V404 HydrophobicContact CB-CB 4.42Å; F211-V404 HydrophobicContact CB-CG1 4.36Å; F211-V404 HydrophobicContact CB-CG2 3.98Å
212D89.1Confident83.5Confident41 Ų4165.4 Ų65.422%0.21935%0.345CS..EExtended strand (participates in β ladder)trans-76.4140.1177.6-70.55.9000110.6K200 Q201 P214 I402 Q403K200-D212 CarbonylContact O-C 3.48Å; K200-D212 WeakPolarHBondContact O-CA 3.38Å; Q201-D212 VanDerWaalsContact CD-OD1 3.26Å; Q201-D212 WeakPolarHBondContact CG-OD1 3.5Å; Q201-D212 PolarHBondContact NE2-OD1 2.81Å; D212-P214 WeakPolarHBondContact O-CD 3.43Å; D212-I402 WeakPolarHBondContact O-CG2 3.37Å; D212-Q403 HydrophobicContact CB-CB 4.48Å; D212-Q403 PolarHBondContact N-O 3.34Å
213I86.9Confident83.8Confident36 Ų3664.3 Ų64.319%0.18534%0.343CS..  trans-109106.7173.8-53.9178.4000108.7K200 F202 F211 L217 T218 F224K200-I213 PolarHBondContact O-N 2.92Å; F202-I213 HydrophobicContact CB-CD1 3.84Å; F202-I213 HydrophobicContact CB-CG1 4.43Å; F211-I213 HydrophobicContact CD2-CG1 4.19Å; F211-I213 HydrophobicContact CE2-CD1 4.23Å; F211-I213 HydrophobicContact CE2-CG1 3.74Å; F211-I213 HydrophobicContact CZ-CG1 4.47Å; I213-L217 HydrophobicContact CG2-CB 4.25Å; I213-T218 HydrophobicContact CB-CG2 4.3Å; I213-T218 HydrophobicContact CG2-CG2 3.57Å; I213-F224 HydrophobicContact CG1-CE2 4.43Å; I213-F224 HydrophobicContact CG2-CE2 4.13Å; I213-F224 HydrophobicContact CG2-CZ 4.42Å
214P87.9Confident84.1Confident11 Ų1163.3 Ų63.37%0.07133%0.334CS..  trans-52.4140.6171.2-27.733.4000112D212 V216 L217 T218 Y370 P400 I402D212-P214 WeakPolarHBondContact O-CD 3.43Å; P214-V216 PolarHBondContact O-N 2.76Å; P214-V216 VanDerWaalsContact O-N 3.17Å; P214-L217 HydrophobicContact CB-CD1 4.49Å; P214-L217 HydrophobicContact CB-CG 4.36Å; P214-L217 HydrophobicContact CG-CD1 4.19Å; P214-L217 PolarHBondContact O-N 3.29Å; P214-T218 PolarHBondContact O-N 2.88Å; P214-Y370 HydrophobicContact CB-CE2 4.48Å; P214-Y370 WeakPolarHBondContact CG-OH 3.38Å; P214-P400 HydrophobicContact CB-CG 4.44Å; P214-P400 HydrophobicContact CG-CG 4.47Å; P214-I402 HydrophobicContact CG-CD1 4.37Å; P214-I402 HydrophobicContact CG-CG1 3.83Å
215K84.8Confident84.5Confident168 Ų16860.8 Ų60.873%0.7332%0.323SS*.Hα-helixtrans-55.7-37.8-178.2-68.4180-177.9172.10112.7L217 T218K215-L217 PolarHBondContact O-N 3.1Å; K215-T218 PolarHBondContact O-N 3.05Å; K215-T218 VanDerWaalsContact O-N 3.13Å; K215-T218 PolarHBondContact O-OG1 2.93Å
216V86.7Confident85Confident20 Ų2057 Ų5712%0.12130%0.298CS..Hα-helixtrans-57.5-39.5176.9-176.40000111.5P214 L219 S220 E397 R399P214-V216 PolarHBondContact O-N 2.76Å; P214-V216 VanDerWaalsContact O-N 3.17Å; V216-L219 PolarHBondContact O-N 2.9Å; V216-S220 PolarHBondContact O-OG 3.3Å; V216-E397 HydrophobicContact CG2-CB 3.62Å; V216-R399 HydrophobicContact CG2-CG 4.35Å
217L87.5Confident85.7Confident6 Ų649.8 Ų49.83%0.03127%0.265CS..Hα-helixtrans-76-28.4179.6-62.9-176.5000112.4I213 P214 K215 L219 S220 F224 L341 F368 Y370 I402I213-L217 HydrophobicContact CG2-CB 4.25Å; P214-L217 HydrophobicContact CB-CD1 4.49Å; P214-L217 HydrophobicContact CB-CG 4.36Å; P214-L217 HydrophobicContact CG-CD1 4.19Å; P214-L217 PolarHBondContact O-N 3.29Å; K215-L217 PolarHBondContact O-N 3.1Å; L217-L219 PolarHBondContact O-N 2.79Å; L217-S220 PolarHBondContact O-N 3.43Å; L217-S220 VanDerWaalsContact O-N 3.16Å; L217-F224 HydrophobicContact CD1-CE1 4.4Å; L217-F224 HydrophobicContact CD1-CE2 4.42Å; L217-F224 HydrophobicContact CD1-CZ 3.64Å; L217-L341 HydrophobicContact CD1-CD1 4.33Å; L217-L341 HydrophobicContact CD1-CD2 3.98Å; L217-L341 HydrophobicContact CD2-CD2 3.8Å; L217-F368 HydrophobicContact CD2-CD1 4.29Å; L217-F368 HydrophobicContact CD2-CE1 3.82Å; L217-F368 HydrophobicContact CD2-CZ 4.48Å; L217-Y370 HydrophobicContact CD1-CD2 4.05Å; L217-Y370 HydrophobicContact CD1-CE2 4.11Å; L217-Y370 HydrophobicContact CD1-CG 4.4Å; L217-Y370 HydrophobicContact CD2-CD2 3.68Å; L217-Y370 HydrophobicContact CD2-CE2 4.14Å; L217-Y370 HydrophobicContact CD2-CG 4.42Å; L217-Y370 HydrophobicContact CG-CD2 3.99Å; L217-Y370 HydrophobicContact CG-CE2 3.98Å; L217-I402 HydrophobicContact CD1-CD1 4.3Å
218T81.1Confident86.2Confident86 Ų8649.8 Ų49.853%0.52826%0.262SS..Hα-helixtrans-64.3-21.8175.366.20000114I213 P214 K215I213-T218 HydrophobicContact CB-CG2 4.3Å; I213-T218 HydrophobicContact CG2-CG2 3.57Å; P214-T218 PolarHBondContact O-N 2.88Å; K215-T218 PolarHBondContact O-N 3.05Å; K215-T218 VanDerWaalsContact O-N 3.13Å; K215-T218 PolarHBondContact O-OG1 2.93Å
219L82Confident86Confident136 Ų13647.8 Ų47.871%0.71225%0.251SS*.THydrogen-bonded Turntrans-102.7-0.7178.6-60.2177.4000112.9V216 L217V216-L219 PolarHBondContact O-N 2.9Å; L217-L219 PolarHBondContact O-N 2.79Å
220S85.2Confident85.5Confident35 Ų3553.2 Ų53.225%0.24528%0.275CS..SBendtrans-96.3146.6-175.4-66.50000111.7V216 L217 C222V216-S220 PolarHBondContact O-OG 3.3Å; L217-S220 PolarHBondContact O-N 3.43Å; L217-S220 VanDerWaalsContact O-N 3.16Å; S220-C222 PolarHBondContact O-N 2.81Å
221D84.9Confident84.7Confident129 Ų12955.7 Ų55.769%0.6928%0.283SS*.SBendtrans-76.165171.6-69.9-31.4000110.4L344D221-L344 HydrophobicContact CB-CB 4.47Å; D221-L344 WeakPolarHBondContact O-CB 3.28Å; D221-L344 PolarHBondContact O-N 2.78Å
222C87.7Confident84.3Confident23 Ų2357.8 Ų57.816%0.15530%0.295CS..EExtended strand (participates in β ladder)trans-126.4161.7-179.8640000112.1S220 L341 V342 F368S220-C222 PolarHBondContact O-N 2.81Å; C222-L341 HydrophobicContact CB-CD1 4.19Å; C222-L341 HydrophobicContact CB-CG 4.4Å; C222-V342 CarbonylContact C-O 3.53Å; C222-V342 VanDerWaalsContact CA-O 3.26Å; C222-V342 WeakPolarHBondContact CA-O 3.2Å; C222-F368 HydrophobicContact CB-CB 4.34Å; C222-F368 HydrophobicContact CB-CD2 3.53Å; C222-F368 HydrophobicContact CB-CE2 3.9Å; C222-F368 HydrophobicContact CB-CG 3.89Å
223A85.9Confident83.8Confident19 Ų1956.5 Ų56.516%0.15729%0.288CS..EExtended strand (participates in β ladder)trans-129.1141.8170.800000110.1L180 V342L180-A223 HydrophobicContact CD2-CB 3.82Å; A223-V342 HydrophobicContact CB-CG2 3.97Å; A223-V342 PolarHBondContact N-O 2.92Å; A223-V342 WeakPolarHBondContact O-CG2 3.38Å; A223-V342 PolarHBondContact O-N 3.41Å
224F87.3Confident83.9Confident47 Ų4756.4 Ų56.421%0.20629%0.286CS..EExtended strand (participates in β ladder)trans-86127.1167.7-71.8-92.8000108.7F211 I213 L217 F339 L341 I402 F454F211-F224 HydrophobicContact CD2-CD1 4.28Å; F211-F224 HydrophobicContact CD2-CE1 4.15Å; F211-F224 HydrophobicContact CE2-CB 4.34Å; F211-F224 AromaticContact CE2-CD1 3.58Å; F211-F224 HydrophobicContact CE2-CD1 3.58Å; F211-F224 AromaticContact CE2-CD2 3.89Å; F211-F224 HydrophobicContact CE2-CD2 3.89Å; F211-F224 AromaticContact CE2-CE1 3.69Å; F211-F224 HydrophobicContact CE2-CE1 3.69Å; F211-F224 HydrophobicContact CE2-CE2 4.01Å; F211-F224 AromaticContact CE2-CG 3.67Å; F211-F224 HydrophobicContact CE2-CG 3.67Å; F211-F224 AromaticContact CE2-CZ 3.9Å; F211-F224 HydrophobicContact CE2-CZ 3.9Å; F211-F224 HydrophobicContact CZ-CB 4.06Å; F211-F224 HydrophobicContact CZ-CD1 4.14Å; F211-F224 HydrophobicContact CZ-CD2 4.2Å; F211-F224 AromaticContact CZ-CG 3.88Å; F211-F224 HydrophobicContact CZ-CG 3.88Å; I213-F224 HydrophobicContact CG1-CE2 4.43Å; I213-F224 HydrophobicContact CG2-CE2 4.13Å; I213-F224 HydrophobicContact CG2-CZ 4.42Å; L217-F224 HydrophobicContact CD1-CE1 4.4Å; L217-F224 HydrophobicContact CD1-CE2 4.42Å; L217-F224 HydrophobicContact CD1-CZ 3.64Å; F224-F339 HydrophobicContact CD1-CE2 4.42Å; F224-F339 HydrophobicContact CD1-CZ 4.22Å; F224-F339 HydrophobicContact CE1-CZ 4.37Å; F224-L341 HydrophobicContact CD1-CD1 3.84Å; F224-L341 HydrophobicContact CD2-CD1 4.03Å; F224-L341 HydrophobicContact CE1-CD1 3.7Å; F224-L341 HydrophobicContact CE2-CD1 3.88Å; F224-L341 HydrophobicContact CG-CD1 4.02Å; F224-L341 HydrophobicContact CZ-CD1 3.73Å; F224-I402 HydrophobicContact CE1-CD1 4.13Å; F224-F454 HydrophobicContact CD1-CE1 4.13Å; F224-F454 AromaticContact CE1-CE1 3.82Å; F224-F454 HydrophobicContact CE1-CE1 3.82Å; F224-F454 AromaticContact CE1-CZ 3.96Å; F224-F454 HydrophobicContact CE1-CZ 3.96Å
225L87.6Confident83.9Confident17 Ų1756.1 Ų56.19%0.08928%0.283CS..EExtended strand (participates in β ladder)trans-108.2118.6173.9177.264.8000108.7I176 N227 R338 E340 L365I176-L225 HydrophobicContact CD1-CD1 3.77Å; I176-L225 HydrophobicContact CD1-CD2 4.08Å; I176-L225 HydrophobicContact CG1-CD1 4.28Å; I176-L225 HydrophobicContact CG2-CD1 4.1Å; L225-N227 WeakPolarHBondContact CD1-OD1 3.17Å; L225-R338 VanDerWaalsContact O-O 3.14Å; L225-E340 HydrophobicContact CB-CB 4.24Å; L225-E340 PolarHBondContact N-O 3.16Å; L225-E340 PolarHBondContact O-N 2.78Å; L225-L365 HydrophobicContact CD2-CD1 4.05Å
226I87.1Confident83.8Confident34 Ų3451.3 Ų51.317%0.17426%0.263CS..EExtended strand (participates in β ladder)trans-123.3110176-49.7-166.2000109.3F204 L209 F211 I337 R338 F339F204-I226 HydrophobicContact CD2-CD1 4.18Å; F204-I226 HydrophobicContact CE2-CB 4.48Å; F204-I226 HydrophobicContact CE2-CD1 3.48Å; F204-I226 VanDerWaalsContact CE2-CD1 3.48Å; F204-I226 HydrophobicContact CE2-CG1 4.15Å; F204-I226 HydrophobicContact CZ-CD1 4.29Å; L209-I226 HydrophobicContact CD1-CD1 4.39Å; L209-I226 HydrophobicContact CD1-CG2 4.01Å; L209-I226 HydrophobicContact CD2-CD1 3.51Å; F211-I226 HydrophobicContact CD1-CD1 4.06Å; F211-I226 HydrophobicContact CE1-CD1 3.89Å; I226-I337 HydrophobicContact CG2-CG2 4.19Å; I226-R338 CarbonylContact C-O 3.54Å; I226-R338 VanDerWaalsContact CA-O 3.23Å; I226-R338 WeakPolarHBondContact CA-O 3.46Å; I226-F339 HydrophobicContact CD1-CD2 3.66Å; I226-F339 HydrophobicContact CD1-CE2 3.62Å; I226-F339 HydrophobicContact CG1-CD2 3.79Å; I226-F339 HydrophobicContact CG1-CE2 4.11Å
227N84.4Confident83.8Confident38 Ų3854.5 Ų54.520%0.20328%0.275CS..EExtended strand (participates in β ladder)trans-118.3123.1174.1-58.5-15.7000109.6L225 R338L225-N227 WeakPolarHBondContact CD1-OD1 3.17Å; N227-R338 HydrophobicContact CB-CB 4.09Å; N227-R338 PolarHBondContact N-O 3.47Å; N227-R338 PolarHBondContact O-N 3.18Å
228F83.8Confident83.9Confident95 Ų9554.3 Ų54.342%0.41727%0.274SS..EExtended strand (participates in β ladder)trans-92.6124.4171-179.6-96.4000109.9K230 G334 I337F228-K230 HydrophobicContact CE1-CG 3.87Å; F228-G334 WeakPolarHBondContact CE2-O 3.25Å; F228-G334 WeakPolarHBondContact CZ-O 3.16Å; F228-I337 HydrophobicContact CD2-CG1 3.98Å
229I80.1Confident84.3Confident25 Ų2554.2 Ų54.213%0.12827%0.268CS..EExtended strand (participates in β ladder)trans-122.5115.8-179.2-53.3177.6000107.6Y169 F231 G335 V336Y169-I229 HydrophobicContact CE1-CD1 3.39Å; Y169-I229 WeakPolarHBondContact OH-CD1 3.44Å; I229-F231 HydrophobicContact CG2-CB 4.46Å; I229-F231 WeakPolarHBondContact CG2-O 3.23Å; I229-F231 PolarHBondContact O-N 3.38Å; I229-G335 WeakPolarHBondContact O-CA 3.35Å; I229-V336 PolarHBondContact N-O 2.78Å; I229-V336 PolarHBondContact O-N 2.91Å
230K75.7Confident84.6Confident124 Ų12448 Ų4854%0.53924%0.236SC..SBendtrans-59.9-28.7178.8-66.8-179.2-175.51750112.9F228 E559F228-K230 HydrophobicContact CE1-CG 3.87Å; K230-E559 IonicContact NZ-OE2 3.8Å; K230-E559 PolarHBondContact NZ-OE2 2.85Å
231F73.5Confident84.7Confident76 Ų7651.2 Ų51.233%0.33324%0.243SC..SBendtrans-98.9136.3-174.9-54.5-74.8000112.7F131 I229 N233F131-F231 HydrophobicContact CD1-CD2 4.47Å; F131-F231 HydrophobicContact CD1-CE2 4.13Å; F131-F231 AromaticContact CE1-CD2 3.98Å; F131-F231 HydrophobicContact CE1-CD2 3.98Å; F131-F231 HydrophobicContact CE1-CE2 4.05Å; F131-F231 HydrophobicContact CZ-CD2 4.49Å; I229-F231 HydrophobicContact CG2-CB 4.46Å; I229-F231 WeakPolarHBondContact CG2-O 3.23Å; I229-F231 PolarHBondContact O-N 3.38Å; F231-N233 PolarHBondContact O-N 2.8Å
232D81.6Confident84.5Confident48 Ų4852.2 Ų52.226%0.25724%0.239SC..  trans-83.1111.5171.8-175.6-3.9000111.4Y234 S235 V332 V336D232-Y234 PolarHBondContact OD1-N 2.78Å; D232-S235 VanDerWaalsContact CG-OG 3.31Å; D232-S235 PolarHBondContact OD1-N 2.94Å; D232-S235 PolarHBondContact OD1-OG 3.06Å; D232-S235 WeakPolarHBondContact OD2-CB 3.28Å; D232-S235 PolarHBondContact OD2-OG 3.01Å; D232-V332 WeakPolarHBondContact OD2-CG2 3.28Å; D232-V336 HydrophobicContact CB-CG2 4.26Å
233N79.4Confident84.2Confident14 Ų1453.3 Ų53.38%0.07525%0.245CC..SBendtrans-106.710.7178.8-67.6-53.8000112.9R165 Y169 F231 F236R165-N233 WeakPolarHBondContact CD-OD1 3.48Å; R165-N233 PolarHBondContact NE-OD1 3.32Å; R165-N233 PolarHBondContact NH1-OD1 2.91Å; Y169-N233 HydrophobicContact CE2-CB 3.94Å; Y169-N233 PolarHBondContact OH-ND2 3.39Å; F231-N233 PolarHBondContact O-N 2.8Å; N233-F236 WeakPolarHBondContact O-CE1 3.41Å
234Y87.1Confident83.9Confident34 Ų3455.2 Ų55.213%0.13326%0.257CS..SBendtrans-119.3-45-171.2-63.7-88.1000111.2D232 F236 K237 V336 W423 W430 T456D232-Y234 PolarHBondContact OD1-N 2.78Å; Y234-F236 VanDerWaalsContact C-N 3.26Å; Y234-F236 PolarHBondContact O-N 3.22Å; Y234-F236 VanDerWaalsContact O-N 3.1Å; Y234-K237 WeakPolarHBondContact O-CB 3.24Å; Y234-K237 PolarHBondContact O-N 2.98Å; Y234-V336 HydrophobicContact CD2-CG1 4.26Å; Y234-V336 HydrophobicContact CE2-CG1 4.18Å; Y234-W423 HydrophobicContact CD1-CB 4.4Å; Y234-W423 AromaticContact CD1-CD1 3.55Å; Y234-W423 AromaticContact CD1-CD2 3.81Å; Y234-W423 HydrophobicContact CD1-CD2 3.81Å; Y234-W423 AromaticContact CD1-CE2 3.77Å; Y234-W423 AromaticContact CD1-CG 3.65Å; Y234-W423 HydrophobicContact CD1-CG 3.65Å; Y234-W423 AromaticContact CD1-NE1 3.61Å; Y234-W423 AromaticContact CE1-CD1 3.91Å; Y234-W423 HydrophobicContact CE1-CG 4.29Å; Y234-W423 HydrophobicContact CG-CD2 4.17Å; Y234-W423 HydrophobicContact CG-CG 4.2Å; Y234-W423 VanDerWaalsContact O-CH2 3.24Å; Y234-W423 WeakPolarHBondContact O-CH2 3.5Å; Y234-W430 HydrophobicContact CD2-CZ2 4.5Å; Y234-W430 HydrophobicContact CG-CZ2 4.34Å; Y234-T456 HydrophobicContact CD2-CG2 4.03Å; Y234-T456 HydrophobicContact CE1-CG2 4.49Å; Y234-T456 HydrophobicContact CE2-CG2 3.65Å; Y234-T456 PolarHBondContact OH-OG1 3.3Å
235S88.2Confident83.5Confident4 Ų457.7 Ų57.73%0.02827%0.267CS..G310 helixtrans-54.7-36.4-174.7-72.40000114.3D232 K237 C238 Y241 W430D232-S235 VanDerWaalsContact CG-OG 3.31Å; D232-S235 PolarHBondContact OD1-N 2.94Å; D232-S235 PolarHBondContact OD1-OG 3.06Å; D232-S235 WeakPolarHBondContact OD2-CB 3.28Å; D232-S235 PolarHBondContact OD2-OG 3.01Å; S235-K237 PolarHBondContact O-N 3.39Å; S235-C238 WeakPolarHBondContact O-CB 3.35Å; S235-C238 PolarHBondContact O-N 3.12Å; S235-Y241 WeakPolarHBondContact O-CB 3.41Å; S235-Y241 WeakPolarHBondContact O-CD2 3.21Å; S235-W430 PolarHBondContact OG-NE1 2.96Å
236F82.6Confident82.9Confident68 Ų6861.2 Ų61.230%0.29829%0.286SS..G310 helixtrans-62-18.1178.481.4-92000114.4H162 N233 Y234 Y241H162-F236 AromaticContact CE1-CZ 3.8Å; H162-F236 AromaticContact ND1-CZ 3.8Å; N233-F236 WeakPolarHBondContact O-CE1 3.41Å; Y234-F236 VanDerWaalsContact C-N 3.26Å; Y234-F236 PolarHBondContact O-N 3.22Å; Y234-F236 VanDerWaalsContact O-N 3.1Å; F236-Y241 HydrophobicContact CB-CD1 4.21Å; F236-Y241 HydrophobicContact CB-CE1 4.08Å
237K86.2Confident82Confident86 Ų8664.7 Ų64.737%0.37431%0.31SS..G310 helixtrans-87.3-13.4175.2-57.7179-178.41770112.5Y234 S235 W423Y234-K237 WeakPolarHBondContact O-CB 3.24Å; Y234-K237 PolarHBondContact O-N 2.98Å; S235-K237 PolarHBondContact O-N 3.39Å; K237-W423 HydrophobicContact CB-CH2 3.87Å; K237-W423 HydrophobicContact CB-CZ2 4.03Å; K237-W423 HydrophobicContact CD-CZ2 4.34Å
238C90.4Very high81.2Confident3 Ų370.6 Ų70.62%0.0234%0.335CS..SBendtrans-73.2136.4176.3-167.60000109.8S235 S240 Y241 L327 W423 L428S235-C238 WeakPolarHBondContact O-CB 3.35Å; S235-C238 PolarHBondContact O-N 3.12Å; C238-S240 PolarHBondContact O-N 3.1Å; C238-S240 PolarHBondContact SG-OG 3.35Å; C238-S240 VanDerWaalsContact SG-OG 3.33Å; C238-Y241 WeakPolarHBondContact O-CB 3.39Å; C238-Y241 PolarHBondContact O-N 3.05Å; C238-L327 HydrophobicContact CB-CD1 3.54Å; C238-L327 HydrophobicContact CB-CG 4.45Å; C238-W423 HydrophobicContact CB-CH2 4.45Å; C238-W423 HydrophobicContact CB-CZ3 4.28Å; C238-L428 VanDerWaalsContact CA-O 3.25Å; C238-L428 WeakPolarHBondContact CA-O 3.21Å
239Q89.7Confident79.5Confident84 Ų8470.6 Ų70.639%0.39335%0.346SS..G310 helixtrans-63.2-27.8-178.669.7174.843.400113.3Y241 A318 D319 M320Q239-Y241 PolarHBondContact O-N 2.87Å; Q239-A318 HydrophobicContact CG-CB 3.77Å; Q239-A318 VanDerWaalsContact NE2-C 3.35Å; Q239-D319 PolarHBondContact NE2-O 3.33Å; Q239-M320 HydrophobicContact CG-CG 3.89Å; Q239-M320 HydrophobicContact CG-SD 4.03Å
240S89.2Confident77.8Confident6 Ų676.1 Ų76.14%0.04238%0.375CS..G310 helixtrans-80.9-2.4178.567.60000113.3C238 D326 L327C238-S240 PolarHBondContact O-N 3.1Å; C238-S240 PolarHBondContact SG-OG 3.35Å; C238-S240 VanDerWaalsContact SG-OG 3.33Å; S240-D326 WeakPolarHBondContact CB-OD1 3.21Å; S240-L327 WeakPolarHBondContact OG-CB 3.31Å; S240-L327 WeakPolarHBondContact OG-CG 3.38Å; S240-L327 PolarHBondContact OG-N 3.07Å
241Y85.7Confident75.9Confident102 Ų10277.9 Ų77.940%0.438%0.384SS..G310 helixtrans-70.8-36.8-177.3-175.9-95.5000112.7S235 F236 C238 Q239 L327S235-Y241 WeakPolarHBondContact O-CB 3.41Å; S235-Y241 WeakPolarHBondContact O-CD2 3.21Å; F236-Y241 HydrophobicContact CB-CD1 4.21Å; F236-Y241 HydrophobicContact CB-CE1 4.08Å; C238-Y241 WeakPolarHBondContact O-CB 3.39Å; C238-Y241 PolarHBondContact O-N 3.05Å; Q239-Y241 PolarHBondContact O-N 2.87Å; Y241-L327 HydrophobicContact CD2-CD1 4Å
242Y82.4Confident73.9Confident150 Ų15080.1 Ų80.159%0.58840%0.404SS*.SBendtrans-101.2125.3175.7-66.6-70.9000109.4C244Y242-C244 PolarHBondContact O-N 2.99Å
243P80.3Confident71.5Confident45 Ų4585.7 Ų85.729%0.29243%0.429SS..  trans-52.7134.4172.1-31.939.9000112.6W315 E664 D665P243-W315 HydrophobicContact CB-CE3 3.77Å; P243-W315 HydrophobicContact CB-CH2 4.06Å; P243-W315 HydrophobicContact CB-CZ3 3.32Å; P243-E664 HydrophobicContact CG-CB 4.41Å; P243-D665 HydrophobicContact CB-CB 3.89Å; P243-D665 HydrophobicContact CG-CB 4.29Å; P243-D665 WeakPolarHBondContact CG-OD1 3.35Å
244C78.8Confident69Low59 Ų5990.5 Ų90.540%0.39946%0.464SS..EExtended strand (participates in β ladder)trans-109.5120.6-179.7-71.50000111.1Y242 I316Y242-C244 PolarHBondContact O-N 2.99Å; C244-I316 PolarHBondContact O-N 2.78Å
245K80.5Confident66.4Low99 Ų9994 Ų9443%0.4349%0.488SS..EExtended strand (participates in β ladder)trans-84142176.1-62.7-177.2-178.7-173.80111.1E313 W315K245-E313 WeakPolarHBondContact CE-OE2 3.19Å; K245-E313 IonicContact NZ-OE1 3.86Å; K245-E313 PolarHBondContact NZ-OE1 2.85Å; K245-E313 IonicContact NZ-OE2 3.75Å; K245-E313 PolarHBondContact NZ-OE2 3.19Å; K245-W315 HydrophobicContact CD-CH2 4.08Å; K245-W315 HydrophobicContact CD-CZ3 4.15Å; K245-W315 HydrophobicContact CG-CD2 4.4Å; K245-W315 HydrophobicContact CG-CE3 3.7Å; K245-W315 HydrophobicContact CG-CH2 3.77Å; K245-W315 HydrophobicContact CG-CZ2 4.4Å; K245-W315 HydrophobicContact CG-CZ3 3.34Å
246L75.3Confident63.6Low92 Ų92100.4 Ų100.448%0.48252%0.521SS..PPolyproline II helixtrans-63.6125.7167-168.783.8000108.4K248 N314 I316L246-K248 PolarHBondContact O-N 3.17Å; L246-K248 VanDerWaalsContact O-N 3.1Å; L246-N314 HydrophobicContact CB-CB 4.05Å; L246-N314 HydrophobicContact CD2-CB 4.39Å; L246-N314 PolarHBondContact N-O 3.25Å; L246-I316 HydrophobicContact CB-CD1 4.02Å; L246-I316 HydrophobicContact CB-CG1 3.97Å; L246-I316 HydrophobicContact CD1-CD1 3.3Å; L246-I316 HydrophobicContact CD1-CG1 3.85Å; L246-I316 HydrophobicContact CG-CD1 4.21Å
247P68.4Low61.1Low106 Ų106105.8 Ų105.869%0.68855%0.547SS*.PPolyproline II helixtrans-58.6123.1173.418.9-25.6000108S249P247-S249 PolarHBondContact O-N 2.94Å; P247-S249 VanDerWaalsContact O-N 3.09Å
248K66.9Low58.3Low163 Ų163109.3 Ų109.371%0.70956%0.564SS**PPolyproline II helixtrans-52.3122.2173.5-63.6-174.8179.6-169.10106.8L246 I250L246-K248 PolarHBondContact O-N 3.17Å; L246-K248 VanDerWaalsContact O-N 3.1Å; K248-I250 PolarHBondContact O-N 3.45Å
249S48.1Very low55.3Low94 Ų94114.7 Ų114.766%0.65760%0.597SS**  trans-52.2112.8170.4174.90000106.1P247 H251P247-S249 PolarHBondContact O-N 2.94Å; P247-S249 VanDerWaalsContact O-N 3.09Å; S249-H251 PolarHBondContact O-N 2.77Å
250I43.4Very low52.5Low142 Ų142118.9 Ų118.973%0.72862%0.62SS**  trans-66.489.2172-58.4170.4000104K248 T252K248-I250 PolarHBondContact O-N 3.45Å; I250-T252 PolarHBondContact O-N 2.79Å; I250-T252 PolarHBondContact O-OG1 2.87Å
251H36.9Very low49.3Very low160 Ų160126.1 Ų126.174%0.74165%0.653SS**  trans-53.4105.7155.3-81-73000104.5S249 E253S249-H251 PolarHBondContact O-N 2.77Å; H251-E253 PolarHBondContact O-N 3.37Å
252T31Very low46.5Very low123 Ų123129.4 Ų129.476%0.75567%0.672SS**  trans-7565.3178-42.20000106.5I250I250-T252 PolarHBondContact O-N 2.79Å; I250-T252 PolarHBondContact O-OG1 2.87Å
253E30.8Very low43.8Very low166 Ų166128.6 Ų128.678%0.77668%0.678SS**  trans-93.493.7156.6-75.5-171.817100105.5H251 V255H251-E253 PolarHBondContact O-N 3.37Å; E253-V255 PolarHBondContact O-N 3.13Å
254S28.2Very low41.2Very low115 Ų115134.9 Ų134.980%0.80471%0.709SS**  trans-49.992.2157.7-77.90000108.7
255V31.6Very low38.6Very low108 Ų108137.6 Ų137.666%0.65572%0.724SS**  trans-113.4113.2154.9-175.30000105.9E253 H257E253-V255 PolarHBondContact O-N 3.13Å; V255-H257 PolarHBondContact O-N 2.89Å
256I28.8Very low35.8Very low138 Ų138141 Ų14171%0.70875%0.746SS**  trans-53.896.6178-62.3156000107.8E258I256-E258 HydrophobicContact CG2-CB 4.32Å; I256-E258 HydrophobicContact CG2-CG 3.81Å; I256-E258 PolarHBondContact O-N 2.84Å
257H29.7Very low33.4Very low181 Ų181144.5 Ų144.584%0.83877%0.766SS**  trans-85.680.1157.8-88.6-52.5000107.2V255 V259V255-H257 PolarHBondContact O-N 2.89Å; H257-V259 PolarHBondContact O-N 2.85Å
258E29.4Very low31.2Very low159 Ų159148 Ų14874%0.74377%0.773SS**  trans-56.3128.9155.5-91.8176.8168.700108.4I256 I260I256-E258 HydrophobicContact CG2-CB 4.32Å; I256-E258 HydrophobicContact CG2-CG 3.81Å; I256-E258 PolarHBondContact O-N 2.84Å; E258-I260 PolarHBondContact O-N 3.25Å
259V27.4Very low29Very low116 Ų116148.5 Ų148.570%0.70378%0.778SS**  trans-40.6105172.8177.20000110.8H257 Q261H257-V259 PolarHBondContact O-N 2.85Å; V259-Q261 VanDerWaalsContact C-N 3.26Å; V259-Q261 HydrophobicContact CG1-CB 3.88Å; V259-Q261 HydrophobicContact CG1-CG 4.07Å; V259-Q261 PolarHBondContact O-N 2.61Å
260I29.3Very low28Very low172 Ų172151.7 Ų151.788%0.88279%0.787SS**  trans-91.775.8156.3-56.2177.5000106.4E258E258-I260 PolarHBondContact O-N 3.25Å
261Q23.4Very low27.8Very low158 Ų158149.4 Ų149.474%0.73878%0.782SS**  trans-106.8107.2146.2-74.8-178.42.700104.9V259V259-Q261 VanDerWaalsContact C-N 3.26Å; V259-Q261 HydrophobicContact CG1-CB 3.88Å; V259-Q261 HydrophobicContact CG1-CG 4.07Å; V259-Q261 PolarHBondContact O-N 2.61Å
262Q25.2Very low27.1Very low171 Ų171149.7 Ų149.780%0.79978%0.781SS**  trans-176111.5142.4-104.3162.919.100110.7
263D26.3Very low26.9Very low134 Ų134152 Ų15272%0.71779%0.788SS**  trans51.1101.8130.8-63.2-26.9000118.3T265D263-T265 VanDerWaalsContact C-N 3.28Å; D263-T265 PolarHBondContact O-N 2.94Å
264D26.3Very low26.4Very low176 Ų176151.4 Ų151.494%0.94179%0.786SS**  trans-42.990146.3-68.4-41.3000110.8
265T24.5Very low26.1Very low116 Ų116152.1 Ų152.171%0.71279%0.789SS**  trans-136106.5158-60000109.5D263 N267D263-T265 VanDerWaalsContact C-N 3.28Å; D263-T265 PolarHBondContact O-N 2.94Å; T265-N267 PolarHBondContact O-N 3.46Å
266L22.1Very low25.6Very low170 Ų170156 Ų15689%0.8980%0.797SS**  trans-27.6119.2162.9-63.7158.8000112.2
267N24.3Very low25.4Very low167 Ų167156.2 Ų156.289%0.89381%0.805SS**  trans-142.6126.4151.6-96.7-25.5000110.2T265T265-N267 PolarHBondContact O-N 3.46Å
268E22.1Very low25.2Very low179 Ų179156.3 Ų156.384%0.83681%0.806SS**  trans-63.5147.6178-65171.3149.200112.3
269E20.4Very low25Very low174 Ų174157.6 Ų157.681%0.81381%0.812SS**  trans54.2109.5147.5-62.7-176172.700120.4
270N26.9Very low24.9Very low161 Ų161158.6 Ų158.686%0.86182%0.819SS**  -171.1155107.7-104.4-43.1000114.6
271P38.5Very low24.7Very low94 Ų94156.8 Ų156.861%0.6181%0.81SS**  trans-102.9176.2-164.536.4-27.6000115.2
272F22.2Very low25Very low165 Ų165157.5 Ų157.572%0.72482%0.818SS**  trans82.7106.6171.5-71.1-91.2000117.3E274F272-E274 HydrophobicContact CD1-CG 4.35Å
273N26.9Very low25.2Very low171 Ų171155.8 Ų155.891%0.91481%0.814SS**  trans-142.499.6134.8-118.2-10.1000110.1
274E21.6Very low25.5Very low154 Ų154157 Ų15772%0.7282%0.821SS**  trans-63.5127.5163.7-66.1171.3154.900109.1F272F272-E274 HydrophobicContact CD1-CG 4.35Å
275C21.8Very low25.8Very low130 Ų130155.3 Ų155.388%0.87881%0.812SS**  trans-128.7119.2154.8-142.70000110.3
276K20.4Very low26.1Very low190 Ų190157.5 Ų157.583%0.82682%0.819SS**  trans-60.7144.9-176.6-64.5160176.9175.60111.7
277T24.5Very low26.6Very low142 Ų142152.4 Ų152.487%0.87181%0.808SS**  trans-131.9134.3151.6-29.80000108.2
278E25.2Very low26.8Very low183 Ų183153.2 Ų153.286%0.85581%0.806SS**  trans-70.2131.3-155.6-64.1171.3143.800113.7T280E278-T280 PolarHBondContact O-N 3.22Å
279E25.2Very low27.2Very low187 Ų187154 Ų15487%0.87481%0.807SS**  trans-69.1111.6167.4-69.2176.5151.500109.9
280T27.1Very low27.7Very low137 Ų137153.1 Ų153.184%0.8480%0.803SS**  trans-93.9109.2159.4-53.30000108.6E278 L282E278-T280 PolarHBondContact O-N 3.22Å; T280-L282 PolarHBondContact O-N 2.88Å
281L24.5Very low27.6Very low134 Ų134153.7 Ų153.770%0.70280%0.8SS**  trans-50.2120.6174.9-67.3150.1000112.7
282L29.7Very low27.2Very low173 Ų173153.7 Ų153.791%0.90680%0.798SS**  trans-134.3108.2142.6-75.9178.5000108.6T280T280-L282 PolarHBondContact O-N 2.88Å
283N28Very low27.7Very low134 Ų134152.5 Ų152.572%0.71780%0.8SS**  trans-65.6132.2169-61.3-40.3000109.1
284D34.3Very low28.4Very low161 Ų161152 Ų15286%0.86179%0.792SS**  trans-162.4151.3134.5-95.8-19000110.6
285D32.3Very low29.4Very low140 Ų140150.9 Ų150.975%0.74980%0.795SS**  trans-56.4148.3-154.7-80.5-46.6000119.1
286N30.1Very low30.7Very low161 Ų161152.5 Ų152.586%0.86179%0.79SS**  trans50.587.6142.9-66.5-29.8000118.3
287G32.1Very low32.4Very low63 Ų63149.3 Ų149.365%0.64978%0.778SS**  trans-158118.9150.300000107.6K289G287-K289 VanDerWaalsContact C-N 3.32Å; G287-K289 PolarHBondContact O-N 3.37Å
288E30.2Very low34.2Very low184 Ų184148.3 Ų148.386%0.8677%0.771SS**  trans-47.592.4176.5-64.4175.1159.300110.5Q290E288-Q290 PolarHBondContact O-N 2.92Å
289K28.9Very low36.2Very low197 Ų197142 Ų14286%0.85774%0.741SS**  trans-75.585.8162.8-73.6-175.5-179.8178.80105.4G287 Q291G287-K289 VanDerWaalsContact C-N 3.32Å; G287-K289 PolarHBondContact O-N 3.37Å; K289-Q291 PolarHBondContact O-N 3.49Å
290Q30.5Very low38.6Very low154 Ų154139.9 Ų139.972%0.7273%0.731SS**  trans-50.2101.6150.9-72.5178.14.800105.4E288 T292E288-Q290 PolarHBondContact O-N 2.92Å; Q290-T292 PolarHBondContact O-N 3.28Å
291Q26.6Very low41Very low174 Ų174137.9 Ų137.981%0.81371%0.714SS**  trans-71.678.3170.2-152168.72900104.3K289 N293K289-Q291 PolarHBondContact O-N 3.49Å; Q291-N293 PolarHBondContact O-N 3.02Å
292T29.7Very low43.7Very low93 Ų93131.8 Ų131.857%0.57168%0.683SS**  trans-63.696.1163.947.70000104.3Q290 E294Q290-T292 PolarHBondContact O-N 3.28Å; T292-E294 PolarHBondContact O-N 2.92Å
293N33.3Very low46.2Very low140 Ų140126.5 Ų126.575%0.74966%0.659SS**  trans-62.469.4156-77.1-10.9000106.3Q291 V295Q291-N293 PolarHBondContact O-N 3.02Å; N293-V295 VanDerWaalsContact C-N 3.26Å; N293-V295 PolarHBondContact O-N 3.37Å
294E40.1Very low48.7Very low161 Ų161122.8 Ų122.875%0.75264%0.637SS**  trans-62.3103.9157.7-74.7-17918000103.4T292 E296T292-E294 PolarHBondContact O-N 2.92Å; E294-E296 PolarHBondContact O-N 3.17Å
295V43Very low51Low130 Ų130116.7 Ų116.779%0.78861%0.605SS**  trans-53.1102165.8178.60000104.2N293 E297N293-V295 VanDerWaalsContact C-N 3.26Å; N293-V295 PolarHBondContact O-N 3.37Å; V295-E297 PolarHBondContact O-N 3.37Å
296E49.5Very low53.3Low165 Ų165116.1 Ų116.177%0.77159%0.592SS**  trans-58.998.8174.5-165.8173.3-162.100104.6E294 V298E294-E296 PolarHBondContact O-N 3.17Å; E296-V298 HydrophobicContact CG-CG2 4.36Å; E296-V298 WeakPolarHBondContact O-CG2 3.45Å; E296-V298 PolarHBondContact O-N 2.93Å
297E56.5Low55.8Low122 Ų122112.7 Ų112.757%0.5757%0.573SS**  trans-68.986.6179.7-165.4178.7-155.200105.9V295 F299V295-E297 PolarHBondContact O-N 3.37Å; E297-F299 HydrophobicContact CG-CE1 4.26Å; E297-F299 HydrophobicContact CG-CZ 4.3Å; E297-F299 PolarHBondContact O-N 2.65Å
298V61.9Low58.3Low121 Ų121114.7 Ų114.773%0.73357%0.574SS**  trans-72.896.9177.2-179.50000106.2E296 E300E296-V298 HydrophobicContact CG-CG2 4.36Å; E296-V298 WeakPolarHBondContact O-CG2 3.45Å; E296-V298 PolarHBondContact O-N 2.93Å; V298-E300 PolarHBondContact O-N 3.23Å
299F67.4Low60.8Low50 Ų50108.6 Ų108.622%0.21955%0.55CS..PPolyproline II helixtrans-62129.7171.5-69.8-65.6000109.5K49 L52 K53 I56 E297 I301K49-F299 HydrophobicContact CD-CE2 4.17Å; K49-F299 HydrophobicContact CG-CD2 4.03Å; K49-F299 HydrophobicContact CG-CE2 3.74Å; L52-F299 HydrophobicContact CD2-CB 4.02Å; K53-F299 HydrophobicContact CD-CZ 4.42Å; K53-F299 HydrophobicContact CG-CZ 4.5Å; I56-F299 HydrophobicContact CD1-CB 3.92Å; I56-F299 HydrophobicContact CD1-CD1 4.39Å; I56-F299 HydrophobicContact CD1-CG 4.33Å; E297-F299 HydrophobicContact CG-CE1 4.26Å; E297-F299 HydrophobicContact CG-CZ 4.3Å; E297-F299 PolarHBondContact O-N 2.65Å; F299-I301 PolarHBondContact O-N 2.91Å
300E76Confident63.2Low143 Ų143102.4 Ų102.467%0.66853%0.53SS*.PPolyproline II helixtrans-66.6122.3175.8-176.8172.6-168.900109.5V298 R306V298-E300 PolarHBondContact O-N 3.23Å; E300-R306 IonicContact OE1-CZ 3.54Å; E300-R306 IonicContact OE1-NH1 3.7Å; E300-R306 IonicContact OE1-NH2 2.91Å; E300-R306 PolarHBondContact OE1-NH2 3.32Å
301I77.1Confident65.5Low95 Ų95101.9 Ų101.949%0.48753%0.527SS..PPolyproline II helixtrans-59.1128.6-179.2-61.5171000109.1F299 D305 R306F299-I301 PolarHBondContact O-N 2.91Å; I301-D305 HydrophobicContact CG2-CB 3.67Å; I301-R306 HydrophobicContact CB-CG 4.49Å; I301-R306 HydrophobicContact CG2-CG 4.1Å; I301-R306 PolarHBondContact O-NE 2.91Å; I301-R306 PolarHBondContact O-NH2 2.96Å
302P80.8Confident67.9Low7 Ų798.2 Ų98.25%0.04552%0.518CS..PPolyproline II helixtrans-51.3142.1176.6-25.330.4000112.2L52 I56 L59 E304 D305 R306L52-P302 HydrophobicContact CD1-CG 4.36Å; I56-P302 HydrophobicContact CG1-CG 3.73Å; L59-P302 HydrophobicContact CD1-CB 3.77Å; L59-P302 HydrophobicContact CD1-CG 4.05Å; P302-E304 WeakPolarHBondContact CB-OE2 3.46Å; P302-E304 PolarHBondContact O-N 3.13Å; P302-D305 PolarHBondContact O-N 3.02Å; P302-R306 PolarHBondContact O-N 3.14Å
303P81.4Confident70.3Confident62 Ų6297.8 Ų97.840%0.40351%0.51SS..Hα-helixtrans-57.5-31.6179.223.6-33.2000113R63 D305 R306R63-P303 VanDerWaalsContact CZ-CG 3.43Å; R63-P303 VanDerWaalsContact NH2-CD 3.25Å; P303-D305 VanDerWaalsContact C-N 3.26Å; P303-D305 PolarHBondContact O-N 2.69Å; P303-R306 PolarHBondContact O-N 3.12Å
304E81.9Confident72.6Confident56 Ų5696.3 Ų96.326%0.26250%0.502SS..Hα-helixtrans-62.6-32.7176.1-62.478-170.100112.4L59 R63 P302 R737L59-E304 HydrophobicContact CD1-CB 4.4Å; R63-E304 IonicContact CZ-OE1 2.69Å; R63-E304 IonicContact CZ-OE2 3.68Å; R63-E304 IonicContact NE-OE1 3.86Å; R63-E304 PolarHBondContact NE-OE1 2.83Å; R63-E304 IonicContact NH2-OE1 3.63Å; R63-E304 PolarHBondContact NH2-OE1 2.98Å; R63-E304 IonicContact NH2-OE2 3.6Å; R63-E304 PolarHBondContact NH2-OE2 3.45Å; P302-E304 WeakPolarHBondContact CB-OE2 3.46Å; P302-E304 PolarHBondContact O-N 3.13Å; E304-R737 PolarHBondContact O-NH2 3.39Å
305D81.3Confident74.6Confident32 Ų3290.4 Ų90.417%0.17147%0.473CS..Hα-helixtrans-84.3-19.7-179.7-70.3-18.7000112.1R55 I301 P302 P303 I307R55-D305 IonicContact CZ-OD1 2.73Å; R55-D305 IonicContact CZ-OD2 2.67Å; R55-D305 IonicContact NE-OD1 3.69Å; R55-D305 PolarHBondContact NE-OD1 3.09Å; R55-D305 IonicContact NE-OD2 3.73Å; R55-D305 PolarHBondContact NE-OD2 3Å; R55-D305 IonicContact NH2-OD1 3.57Å; R55-D305 PolarHBondContact NH2-OD1 2.86Å; R55-D305 IonicContact NH2-OD2 3.65Å; I301-D305 HydrophobicContact CG2-CB 3.67Å; P302-D305 PolarHBondContact O-N 3.02Å; P303-D305 VanDerWaalsContact C-N 3.26Å; P303-D305 PolarHBondContact O-N 2.69Å; D305-I307 VanDerWaalsContact C-N 3.31Å
306R81.2Confident76.6Confident128 Ų12887.9 Ų87.948%0.48345%0.454SS..Hα-helixtrans-73.9-21.5176.5-62.9-179-167.6-170.40.5113.5E300 I301 P302 P303 P308E300-R306 IonicContact OE1-CZ 3.54Å; E300-R306 IonicContact OE1-NH1 3.7Å; E300-R306 IonicContact OE1-NH2 2.91Å; E300-R306 PolarHBondContact OE1-NH2 3.32Å; I301-R306 HydrophobicContact CB-CG 4.49Å; I301-R306 HydrophobicContact CG2-CG 4.1Å; I301-R306 PolarHBondContact O-NE 2.91Å; I301-R306 PolarHBondContact O-NH2 2.96Å; P302-R306 PolarHBondContact O-N 3.14Å; P303-R306 PolarHBondContact O-N 3.12Å; R306-P308 WeakPolarHBondContact O-CD 3.37Å
307I82.1Confident78.3Confident89 Ų8985.8 Ų85.846%0.45644%0.443SS..SBendtrans-68.7117.2-179.9-55171.3000107.8D305 L678 R737D305-I307 VanDerWaalsContact C-N 3.31Å; I307-L678 HydrophobicContact CB-CD1 4.38Å; I307-L678 HydrophobicContact CG2-CD1 3.96Å; I307-L678 HydrophobicContact CG2-CD2 4.38Å; I307-R737 VanDerWaalsContact O-CZ 3.29Å; I307-R737 PolarHBondContact O-NH1 3.09Å; I307-R737 PolarHBondContact O-NH2 3.07Å
308P84.2Confident79.6Confident105 Ų10581.2 Ų81.268%0.68243%0.425SS*.PPolyproline II helixtrans-64142.7174.8-20.334.2000109.9R306 P310R306-P308 WeakPolarHBondContact O-CD 3.37Å; P308-P310 WeakPolarHBondContact O-CD 3.37Å
309T82.5Confident80.9Confident56 Ų5682.7 Ų82.734%0.34443%0.429SS..PPolyproline II helixtrans-59.1123.9170.6-600000108.2E311 N676T309-E311 PolarHBondContact O-N 3.44Å; T309-N676 WeakPolarHBondContact CG2-ND2 3.13Å; T309-N676 PolarHBondContact OG1-ND2 2.96Å
310P80.9Confident82.1Confident67 Ų6782.1 Ų82.144%0.43543%0.428SS..PPolyproline II helixtrans-59.6137176.4-22.332.9000110.9P308P308-P310 WeakPolarHBondContact O-CD 3.37Å
311E78.1Confident82.8Confident144 Ų14479.2 Ų79.267%0.67341%0.414SS*.PPolyproline II helixtrans-60.9143.9170.6-67.4178.1163.700110.5T309 E313T309-E311 PolarHBondContact O-N 3.44Å; E311-E313 PolarHBondContact O-N 3.24Å
312P76Confident83.5Confident96 Ų9684.6 Ų84.662%0.62344%0.437SS*.PPolyproline II helixtrans-58.1134176.923.6-32.3000110.6N314P312-N314 PolarHBondContact O-N 3.09Å
313E80.5Confident84.1Confident84 Ų8486 Ų8639%0.39344%0.444SS..PPolyproline II helixtrans-76.2125.5-179.3-62.1-171.415500110K245 E311 W315K245-E313 WeakPolarHBondContact CE-OE2 3.19Å; K245-E313 IonicContact NZ-OE1 3.86Å; K245-E313 PolarHBondContact NZ-OE1 2.85Å; K245-E313 IonicContact NZ-OE2 3.75Å; K245-E313 PolarHBondContact NZ-OE2 3.19Å; E311-E313 PolarHBondContact O-N 3.24Å; E313-W315 HydrophobicContact CB-CZ2 4.33Å; E313-W315 WeakPolarHBondContact OE2-CZ2 3.49Å
314N81.9Confident84.8Confident110 Ų11083.9 Ų83.959%0.58843%0.432SS*.PPolyproline II helixtrans-91.3120.2174.8-70.6-46.4000109.8L246 P312L246-N314 HydrophobicContact CB-CB 4.05Å; L246-N314 HydrophobicContact CD2-CB 4.39Å; L246-N314 PolarHBondContact N-O 3.25Å; P312-N314 PolarHBondContact O-N 3.09Å
315W83.2Confident85.4Confident36 Ų3681.5 Ų81.514%0.13642%0.421CS..EExtended strand (participates in β ladder)trans-101.7146.3-179.4-59.496.9000110.8P243 K245 E313 E664 D665P243-W315 HydrophobicContact CB-CE3 3.77Å; P243-W315 HydrophobicContact CB-CH2 4.06Å; P243-W315 HydrophobicContact CB-CZ3 3.32Å; K245-W315 HydrophobicContact CD-CH2 4.08Å; K245-W315 HydrophobicContact CD-CZ3 4.15Å; K245-W315 HydrophobicContact CG-CD2 4.4Å; K245-W315 HydrophobicContact CG-CE3 3.7Å; K245-W315 HydrophobicContact CG-CH2 3.77Å; K245-W315 HydrophobicContact CG-CZ2 4.4Å; K245-W315 HydrophobicContact CG-CZ3 3.34Å; E313-W315 HydrophobicContact CB-CZ2 4.33Å; E313-W315 WeakPolarHBondContact OE2-CZ2 3.49Å; W315-E664 HydrophobicContact CH2-CB 3.38Å; W315-E664 HydrophobicContact CH2-CG 4.48Å; W315-E664 WeakPolarHBondContact CH2-OE2 3.48Å; W315-E664 VanDerWaalsContact CZ2-C 3.47Å; W315-E664 HydrophobicContact CZ2-CB 3.64Å; W315-E664 WeakPolarHBondContact CZ2-O 3.34Å; W315-E664 HydrophobicContact CZ3-CB 4.31Å; W315-E664 PolarHBondContact NE1-O 2.99Å; W315-D665 HydrophobicContact CB-CB 4.01Å; W315-D665 HydrophobicContact CD2-CB 3.59Å; W315-D665 HydrophobicContact CE3-CB 3.76Å; W315-D665 HydrophobicContact CG-CB 3.71Å; W315-D665 HydrophobicContact CZ3-CB 4.4Å
316I84.5Confident85.9Confident78 Ų7880.7 Ų80.740%0.442%0.417SS..EExtended strand (participates in β ladder)trans-119.1134.6177.2-41.3177.5000109.2C244 L246C244-I316 PolarHBondContact O-N 2.78Å; L246-I316 HydrophobicContact CB-CD1 4.02Å; L246-I316 HydrophobicContact CB-CG1 3.97Å; L246-I316 HydrophobicContact CD1-CD1 3.3Å; L246-I316 HydrophobicContact CD1-CG1 3.85Å; L246-I316 HydrophobicContact CG-CD1 4.21Å
317K84.4Confident86.4Confident121 Ų12175.6 Ų75.653%0.52640%0.399SS..  trans-65.6143.2167.5-65.3-158.2174.7-155.50110.7D329K317-D329 IonicContact NZ-OD1 3.92Å; K317-D329 IonicContact NZ-OD2 3.4Å; K317-D329 PolarHBondContact NZ-OD2 3.28Å
318A84.6Confident86.6Confident25 Ų2571.8 Ų71.821%0.20738%0.382CS..  trans-71.9141.9-179.600000110.7Q239 M320Q239-A318 HydrophobicContact CG-CB 3.77Å; Q239-A318 VanDerWaalsContact NE2-C 3.35Å; A318-M320 HydrophobicContact CB-CG 4.24Å; A318-M320 PolarHBondContact O-N 2.71Å; A318-M320 VanDerWaalsContact O-N 3.08Å
319D88.9Confident86.9Confident152 Ų15268.2 Ų68.281%0.81336%0.357SS*.  trans-73.993179.3-177.525000111.9Q239Q239-D319 PolarHBondContact NE2-O 3.33Å
320M91.8Very high87.3Confident38 Ų3869.2 Ų69.219%0.18736%0.355CS..  trans-121166.2-172.9-60.8-165.1-52.100112.3Q239 A318 A324 D326Q239-M320 HydrophobicContact CG-CG 3.89Å; Q239-M320 HydrophobicContact CG-SD 4.03Å; A318-M320 HydrophobicContact CB-CG 4.24Å; A318-M320 PolarHBondContact O-N 2.71Å; A318-M320 VanDerWaalsContact O-N 3.08Å; M320-A324 HydrophobicContact CB-CB 3.95Å; M320-A324 HydrophobicContact CE-CB 4.21Å; M320-A324 HydrophobicContact SD-CB 4.38Å; M320-D326 VanDerWaalsContact CE-CA 3.49Å; M320-D326 HydrophobicContact CE-CB 3.81Å
321E92.1Very high87.6Confident83 Ų8366.7 Ų66.739%0.38834%0.337SS..  trans-62.2150.5171.2-55.2-71.6174.100110.6D323 A324 K427E321-D323 WeakPolarHBondContact CB-OD1 3.46Å; E321-D323 PolarHBondContact O-N 2.76Å; E321-A324 HydrophobicContact CB-CB 4.27Å; E321-A324 VanDerWaalsContact O-CB 3.23Å; E321-A324 WeakPolarHBondContact O-CB 3.21Å; E321-A324 PolarHBondContact O-N 3.29Å; E321-K427 IonicContact OE1-NZ 2.8Å; E321-K427 PolarHBondContact OE1-NZ 3.42Å
322E91.2Very high88.2Confident208 Ų20860.9 Ų60.997%0.97231%0.312SS*.THydrogen-bonded Turntrans-61.8-27.8-176.4-64.3-178.6174.600113.5
323D93.9Very high88.8Confident36 Ų3656.7 Ų56.719%0.19328%0.284CS..THydrogen-bonded Turntrans-92.72.2178.673.6-50.4000113.5E321 R431 T432 T433E321-D323 WeakPolarHBondContact CB-OD1 3.46Å; E321-D323 PolarHBondContact O-N 2.76Å; D323-R431 WeakPolarHBondContact O-CA 3.34Å; D323-R431 WeakPolarHBondContact OD2-CB 3.37Å; D323-R431 VanDerWaalsContact OD2-CD 3.27Å; D323-R431 WeakPolarHBondContact OD2-CD 3.41Å; D323-R431 IonicContact OD2-NE 2.85Å; D323-T432 PolarHBondContact O-N 3.08Å; D323-T432 PolarHBondContact O-OG1 3.48Å; D323-T433 HydrophobicContact CB-CG2 3.96Å; D323-T433 WeakPolarHBondContact OD2-CB 3.43Å; D323-T433 WeakPolarHBondContact OD2-CG2 3.25Å; D323-T433 PolarHBondContact OD2-N 3.48Å; D323-T433 PolarHBondContact OD2-OG1 2.7Å
324A95.2Very high88.8Confident17 Ų1754 Ų5414%0.1428%0.279CS..BIsolated β-bridgetrans-81.8142.5179.100000112M320 E321 W430M320-A324 HydrophobicContact CB-CB 3.95Å; M320-A324 HydrophobicContact CE-CB 4.21Å; M320-A324 HydrophobicContact SD-CB 4.38Å; E321-A324 HydrophobicContact CB-CB 4.27Å; E321-A324 VanDerWaalsContact O-CB 3.23Å; E321-A324 WeakPolarHBondContact O-CB 3.21Å; E321-A324 PolarHBondContact O-N 3.29Å; A324-W430 CarbonylContact C-O 3.42Å; A324-W430 VanDerWaalsContact CA-O 3.23Å; A324-W430 WeakPolarHBondContact CA-O 3.4Å
325I94.5Very high89Confident7 Ų749.2 Ų49.24%0.03626%0.256CS..  trans-84.5120.9177.5-62-167.1000110.1L327 Y330 L419 A421 W430 T432 F460I325-L327 HydrophobicContact CG2-CD2 4.43Å; I325-L327 PolarHBondContact O-N 2.97Å; I325-Y330 HydrophobicContact CG2-CD2 3.87Å; I325-Y330 HydrophobicContact CG2-CG 3.97Å; I325-L419 HydrophobicContact CD1-CB 4.39Å; I325-A421 HydrophobicContact CD1-CB 3.29Å; I325-A421 HydrophobicContact CG1-CB 3.93Å; I325-W430 HydrophobicContact CB-CB 4.2Å; I325-W430 PolarHBondContact N-O 3.22Å; I325-T432 HydrophobicContact CD1-CG2 4.15Å; I325-T432 HydrophobicContact CG1-CG2 4.01Å; I325-F460 HydrophobicContact CD1-CB 4.15Å; I325-F460 HydrophobicContact CD1-CD1 4.15Å; I325-F460 HydrophobicContact CD1-CD2 3.48Å; I325-F460 VanDerWaalsContact CD1-CD2 3.48Å; I325-F460 HydrophobicContact CD1-CE1 4.45Å; I325-F460 HydrophobicContact CD1-CE2 3.85Å; I325-F460 HydrophobicContact CD1-CG 3.66Å; I325-F460 HydrophobicContact CD1-CZ 4.32Å; I325-F460 HydrophobicContact CG2-CD1 3.91Å; I325-F460 HydrophobicContact CG2-CE1 4.15Å; I325-F460 HydrophobicContact CG2-CG 4.34Å
326D92.9Very high89.3Confident15 Ų1547.5 Ų47.58%0.0825%0.249CC..  trans-73.9110170.3-171.6-9.8000110.3S240 M320 G328 D329 Y330 R669S240-D326 WeakPolarHBondContact CB-OD1 3.21Å; M320-D326 VanDerWaalsContact CE-CA 3.49Å; M320-D326 HydrophobicContact CE-CB 3.81Å; D326-G328 PolarHBondContact O-N 3.13Å; D326-G328 PolarHBondContact OD1-N 3.05Å; D326-D329 HydrophobicContact CB-CB 4.37Å; D326-D329 PolarHBondContact O-N 2.89Å; D326-Y330 PolarHBondContact O-N 2.98Å; D326-R669 IonicContact OD1-CZ 3.19Å; D326-R669 IonicContact OD1-NH1 2.76Å; D326-R669 IonicContact OD1-NH2 2.63Å; D326-R669 IonicContact OD2-CZ 3.98Å; D326-R669 IonicContact OD2-NH1 3.78Å; D326-R669 PolarHBondContact OD2-NH1 3.23Å; D326-R669 IonicContact OD2-NH2 3.98Å; D326-R669 PolarHBondContact OD2-NH2 2.75Å
327L91.1Very high89.6Confident20 Ų2044.8 Ų44.811%0.10524%0.235CC..THydrogen-bonded Turntrans-70.9-6.3178.5-60.3-178.8000114.7C238 S240 Y241 I325 Y330 F460C238-L327 HydrophobicContact CB-CD1 3.54Å; C238-L327 HydrophobicContact CB-CG 4.45Å; S240-L327 WeakPolarHBondContact OG-CB 3.31Å; S240-L327 WeakPolarHBondContact OG-CG 3.38Å; S240-L327 PolarHBondContact OG-N 3.07Å; Y241-L327 HydrophobicContact CD2-CD1 4Å; I325-L327 HydrophobicContact CG2-CD2 4.43Å; I325-L327 PolarHBondContact O-N 2.97Å; L327-Y330 CarbonylContact C-O 3.49Å; L327-Y330 VanDerWaalsContact CA-O 3.28Å; L327-Y330 WeakPolarHBondContact CA-O 3.42Å; L327-Y330 VanDerWaalsContact O-O 3.1Å; L327-F460 HydrophobicContact CD2-CD1 4.4Å; L327-F460 HydrophobicContact CD2-CE1 3.68Å
328G86.8Confident89.9Confident9 Ų939.8 Ų39.89%0.09321%0.213CC..THydrogen-bonded Turntrans-80.9-25.4165.700000112.8D326 H464 R669D326-G328 PolarHBondContact O-N 3.13Å; D326-G328 PolarHBondContact OD1-N 3.05Å; G328-H464 PolarHBondContact O-CE1 3.15Å; G328-R669 WeakPolarHBondContact O-CD 3.44Å
329D89.4Confident90.2Very high31 Ų3138.8 Ų38.817%0.16620%0.204CC..THydrogen-bonded Turntrans-95.1-29.4175.7-64.4-28.4000111.3K317 D326 Y463 R669K317-D329 IonicContact NZ-OD1 3.92Å; K317-D329 IonicContact NZ-OD2 3.4Å; K317-D329 PolarHBondContact NZ-OD2 3.28Å; D326-D329 HydrophobicContact CB-CB 4.37Å; D326-D329 PolarHBondContact O-N 2.89Å; D329-Y463 WeakPolarHBondContact O-CB 3.38Å; D329-Y463 PolarHBondContact O-N 2.85Å; D329-R669 VanDerWaalsContact OD1-CD 3.3Å; D329-R669 WeakPolarHBondContact OD1-CD 3.39Å; D329-R669 IonicContact OD1-CZ 2.87Å; D329-R669 IonicContact OD1-NE 3.92Å; D329-R669 IonicContact OD1-NH1 3.59Å; D329-R669 PolarHBondContact OD1-NH1 2.78Å; D329-R669 IonicContact OD2-NH1 3.61Å; D329-R669 PolarHBondContact OD2-NH1 3.14Å
330Y91.7Very high90.3Very high76 Ų7633.7 Ų33.730%0.29818%0.175SC..EExtended strand (participates in β ladder)trans-129.5155-174.5-62.2-86.3000113.4I325 D326 L327 L419 Q461 D462I325-Y330 HydrophobicContact CG2-CD2 3.87Å; I325-Y330 HydrophobicContact CG2-CG 3.97Å; D326-Y330 PolarHBondContact O-N 2.98Å; L327-Y330 CarbonylContact C-O 3.49Å; L327-Y330 VanDerWaalsContact CA-O 3.28Å; L327-Y330 WeakPolarHBondContact CA-O 3.42Å; L327-Y330 VanDerWaalsContact O-O 3.1Å; Y330-L419 HydrophobicContact CD1-CD1 3.86Å; Y330-L419 HydrophobicContact CE1-CD1 3.35Å; Y330-L419 HydrophobicContact CE1-CG 4.26Å; Y330-L419 HydrophobicContact CE2-CD1 4.13Å; Y330-L419 HydrophobicContact CG-CD1 4.44Å; Y330-Q461 WeakPolarHBondContact CA-O 3.23Å; Y330-D462 HydrophobicContact CE1-CB 4.41Å
331H87.6Confident90.4Very high15 Ų1532.1 Ų32.17%0.06917%0.167CC..EExtended strand (participates in β ladder)trans-134.1153.3171.764.2-68.7000113.3F460 Q461 D462 Y463 K659H331-F460 VanDerWaalsContact O-CA 3.3Å; H331-F460 WeakPolarHBondContact O-CA 3.38Å; H331-Q461 PolarHBondContact N-O 3.11Å; H331-Q461 PolarHBondContact ND1-O 3.16Å; H331-Q461 VanDerWaalsContact ND1-O 3.11Å; H331-Q461 PolarHBondContact O-N 3.14Å; H331-Q461 VanDerWaalsContact O-N 3.11Å; H331-D462 PolarHBondContact CE1-O 3.02Å; H331-Y463 HydrophobicContact CB-CD2 3.99Å; H331-Y463 WeakPolarHBondContact ND1-CA 3.32Å; H331-Y463 AromaticContact ND1-CD2 3.98Å; H331-K659 HydrophobicContact CB-CD 4.42Å
332V90.6Very high90.3Very high22 Ų2228.3 Ų28.313%0.13315%0.15CC..EExtended strand (participates in β ladder)trans-68.6128174.8176.20000110.6D232 G335 V336 W430 A458 I459 F460D232-V332 WeakPolarHBondContact OD2-CG2 3.28Å; V332-G335 WeakPolarHBondContact CG1-O 3.36Å; V332-V336 HydrophobicContact CG1-CG2 4.26Å; V332-W430 HydrophobicContact CG2-CZ2 4.47Å; V332-A458 HydrophobicContact CG1-CB 3.94Å; V332-A458 HydrophobicContact CG2-CB 3.97Å; V332-I459 CarbonylContact C-O 3.54Å; V332-I459 WeakPolarHBondContact CA-O 3.45Å; V332-F460 HydrophobicContact CB-CE1 4.48Å; V332-F460 HydrophobicContact CG2-CD1 4.11Å; V332-F460 HydrophobicContact CG2-CE1 3.39Å; V332-F460 HydrophobicContact CG2-CE2 4.42Å; V332-F460 HydrophobicContact CG2-CZ 3.57Å
333I87.2Confident90.3Very high7 Ų722.3 Ų22.34%0.03612%0.124CC..EExtended strand (participates in β ladder)trans-113.1138.6174.257.2165.1000111G335 I412 I414 I459 Q461I333-G335 PolarHBondContact O-N 3.2Å; I333-I412 HydrophobicContact CB-CG2 4.39Å; I333-I412 HydrophobicContact CD1-CG2 4.22Å; I333-I414 HydrophobicContact CD1-CD1 3.39Å; I333-I414 HydrophobicContact CD1-CG1 3.56Å; I333-I459 HydrophobicContact CD1-CB 4.39Å; I333-I459 HydrophobicContact CD1-CG2 3.7Å; I333-I459 HydrophobicContact CG1-CB 3.86Å; I333-I459 HydrophobicContact CG1-CG2 3.7Å; I333-I459 WeakPolarHBondContact CG1-O 3.13Å; I333-I459 PolarHBondContact N-O 3.04Å; I333-Q461 HydrophobicContact CD1-CB 4.15Å; I333-Q461 HydrophobicContact CG2-CB 3.98Å
334G81.3Confident90Very high28 Ų2822.3 Ų22.329%0.28912%0.124SC..EExtended strand (participates in β ladder)trans718.1178.500000115.8F228F228-G334 WeakPolarHBondContact CE2-O 3.25Å; F228-G334 WeakPolarHBondContact CZ-O 3.16Å
335G86.1Confident89.6Confident10 Ų1022.6 Ų22.610%0.10313%0.125CC..EExtended strand (participates in β ladder)trans84.5-152.2179.800000112.5I229 V332 I333I229-G335 WeakPolarHBondContact O-CA 3.35Å; V332-G335 WeakPolarHBondContact CG1-O 3.36Å; I333-G335 PolarHBondContact O-N 3.2Å
336V90.5Very high89.1Confident0 Ų031.6 Ų31.60%016%0.158CC..EExtended strand (participates in β ladder)trans-130.8135.2-165.4179.10000110.3I229 D232 Y234 V332 W430 T456 A458I229-V336 PolarHBondContact N-O 2.78Å; I229-V336 PolarHBondContact O-N 2.91Å; D232-V336 HydrophobicContact CB-CG2 4.26Å; Y234-V336 HydrophobicContact CD2-CG1 4.26Å; Y234-V336 HydrophobicContact CE2-CG1 4.18Å; V332-V336 HydrophobicContact CG1-CG2 4.26Å; V336-W430 HydrophobicContact CG1-CH2 4.06Å; V336-W430 HydrophobicContact CG2-CH2 4.21Å; V336-W430 HydrophobicContact CG2-CZ2 4.45Å; V336-T456 HydrophobicContact CG1-CG2 3Å; V336-A458 HydrophobicContact CG2-CB 4.42Å
337I90.3Very high88.8Confident20 Ų2032.6 Ų32.610%0.10316%0.162CC..EExtended strand (participates in β ladder)trans-110.2111.2-179.6-57.9164.4000108.4I226 F228 F339 I406 T456 I457I226-I337 HydrophobicContact CG2-CG2 4.19Å; F228-I337 HydrophobicContact CD2-CG1 3.98Å; I337-F339 HydrophobicContact CG2-CB 4.48Å; I337-F339 PolarHBondContact O-N 2.83Å; I337-I406 HydrophobicContact CD1-CD1 4.07Å; I337-T456 CarbonylContact O-C 3.59Å; I337-I457 PolarHBondContact N-O 2.87Å; I337-I457 PolarHBondContact O-N 3.09Å
338R89.6Confident88.6Confident17 Ų1732.1 Ų32.16%0.06416%0.16CC..EExtended strand (participates in β ladder)trans-79.4108.8168.3-173.8-178.7179.4-165.6-4.6108.5D173 L225 I226 N227 E340D173-R338 IonicContact OD1-CZ 2.7Å; D173-R338 IonicContact OD1-NH1 2.73Å; D173-R338 PolarHBondContact OD1-NH1 2.81Å; D173-R338 IonicContact OD1-NH2 3.07Å; D173-R338 PolarHBondContact OD1-NH2 3.47Å; L225-R338 VanDerWaalsContact O-O 3.14Å; I226-R338 CarbonylContact C-O 3.54Å; I226-R338 VanDerWaalsContact CA-O 3.23Å; I226-R338 WeakPolarHBondContact CA-O 3.46Å; N227-R338 HydrophobicContact CB-CB 4.09Å; N227-R338 PolarHBondContact N-O 3.47Å; N227-R338 PolarHBondContact O-N 3.18Å; R338-E340 HydrophobicContact CG-CG 3.98Å; R338-E340 IonicContact CZ-OE1 3.73Å; R338-E340 IonicContact CZ-OE2 3.71Å; R338-E340 VanDerWaalsContact CZ-OE2 3.29Å; R338-E340 IonicContact NE-OE1 3.98Å; R338-E340 PolarHBondContact NE-OE1 2.94Å; R338-E340 IonicContact NE-OE2 3.52Å; R338-E340 PolarHBondContact NE-OE2 3.46Å; R338-E340 VanDerWaalsContact NE-OE2 3.11Å; R338-E340 IonicContact NH2-OE1 4Å; R338-E340 PolarHBondContact NH2-OE1 3.44Å; R338-E340 IonicContact NH2-OE2 3.97Å; R338-E340 PolarHBondContact NH2-OE2 3.45Å
339F92Very high88.6Confident3 Ų338.9 Ų38.91%0.01319%0.187CC..EExtended strand (participates in β ladder)trans-115.691.5178.9-174.5-108.4000109.4F211 F224 I226 I337 I402 V404 T451 F454 G455 I457F211-F339 HydrophobicContact CB-CZ 4.47Å; F211-F339 HydrophobicContact CD2-CE2 4.39Å; F211-F339 HydrophobicContact CD2-CZ 4.23Å; F211-F339 HydrophobicContact CG-CE2 4.23Å; F211-F339 HydrophobicContact CG-CZ 4.33Å; F224-F339 HydrophobicContact CD1-CE2 4.42Å; F224-F339 HydrophobicContact CD1-CZ 4.22Å; F224-F339 HydrophobicContact CE1-CZ 4.37Å; I226-F339 HydrophobicContact CD1-CD2 3.66Å; I226-F339 HydrophobicContact CD1-CE2 3.62Å; I226-F339 HydrophobicContact CG1-CD2 3.79Å; I226-F339 HydrophobicContact CG1-CE2 4.11Å; I337-F339 HydrophobicContact CG2-CB 4.48Å; I337-F339 PolarHBondContact O-N 2.83Å; F339-I402 HydrophobicContact CZ-CG2 4.27Å; F339-V404 HydrophobicContact CE1-CG2 4.27Å; F339-V404 HydrophobicContact CZ-CG2 4.09Å; F339-T451 HydrophobicContact CD1-CG2 4.34Å; F339-T451 HydrophobicContact CE1-CG2 3.98Å; F339-F454 AromaticContact CD1-CD1 3.73Å; F339-F454 HydrophobicContact CD1-CD1 3.73Å; F339-F454 HydrophobicContact CD1-CE1 4Å; F339-F454 AromaticContact CE1-CD1 3.71Å; F339-F454 HydrophobicContact CE1-CD1 3.71Å; F339-F454 AromaticContact CE1-CE1 3.48Å; F339-F454 HydrophobicContact CE1-CE1 3.48Å; F339-F454 VanDerWaalsContact CE1-CE1 3.48Å; F339-F454 HydrophobicContact CZ-CE1 4.06Å; F339-G455 CarbonylContact C-O 3.58Å; F339-G455 PolarHBondContact N-O 2.72Å; F339-G455 PolarHBondContact O-N 2.78Å; F339-G455 VanDerWaalsContact O-O 3.08Å; F339-I457 HydrophobicContact CB-CD1 4.07Å; F339-I457 HydrophobicContact CD1-CD1 4.42Å
340E91.2Very high88.4Confident45 Ų4542.3 Ų42.321%0.2121%0.209CC..EExtended strand (participates in β ladder)trans-117.7150-172.9-75.4180-164.400112.7L225 R338 V342L225-E340 HydrophobicContact CB-CB 4.24Å; L225-E340 PolarHBondContact N-O 3.16Å; L225-E340 PolarHBondContact O-N 2.78Å; R338-E340 HydrophobicContact CG-CG 3.98Å; R338-E340 IonicContact CZ-OE1 3.73Å; R338-E340 IonicContact CZ-OE2 3.71Å; R338-E340 VanDerWaalsContact CZ-OE2 3.29Å; R338-E340 IonicContact NE-OE1 3.98Å; R338-E340 PolarHBondContact NE-OE1 2.94Å; R338-E340 IonicContact NE-OE2 3.52Å; R338-E340 PolarHBondContact NE-OE2 3.46Å; R338-E340 VanDerWaalsContact NE-OE2 3.11Å; R338-E340 IonicContact NH2-OE1 4Å; R338-E340 PolarHBondContact NH2-OE1 3.44Å; R338-E340 IonicContact NH2-OE2 3.97Å; R338-E340 PolarHBondContact NH2-OE2 3.45Å; E340-V342 HydrophobicContact CB-CG1 4.42Å
341L92.6Very high88.2Confident5 Ų542.2 Ų42.23%0.02622%0.217CC..EExtended strand (participates in β ladder)trans-110.4121.5168.9-166.971.7000108.5L217 C222 F224 F368 F454L217-L341 HydrophobicContact CD1-CD1 4.33Å; L217-L341 HydrophobicContact CD1-CD2 3.98Å; L217-L341 HydrophobicContact CD2-CD2 3.8Å; C222-L341 HydrophobicContact CB-CD1 4.19Å; C222-L341 HydrophobicContact CB-CG 4.4Å; F224-L341 HydrophobicContact CD1-CD1 3.84Å; F224-L341 HydrophobicContact CD2-CD1 4.03Å; F224-L341 HydrophobicContact CE1-CD1 3.7Å; F224-L341 HydrophobicContact CE2-CD1 3.88Å; F224-L341 HydrophobicContact CG-CD1 4.02Å; F224-L341 HydrophobicContact CZ-CD1 3.73Å; L341-F368 HydrophobicContact CB-CB 4.37Å; L341-F368 HydrophobicContact CD2-CB 3.9Å; L341-F368 HydrophobicContact CD2-CD1 3.45Å; L341-F368 VanDerWaalsContact CD2-CD1 3.45Å; L341-F368 HydrophobicContact CD2-CE1 4.3Å; L341-F368 HydrophobicContact CD2-CG 3.96Å; L341-F368 HydrophobicContact CG-CB 3.77Å; L341-F368 HydrophobicContact CG-CD1 4.22Å; L341-F368 HydrophobicContact CG-CG 4.23Å; L341-F368 PolarHBondContact O-N 3.3Å; L341-F454 HydrophobicContact CB-CD1 3.82Å; L341-F454 HydrophobicContact CB-CD2 3.81Å; L341-F454 HydrophobicContact CB-CE1 3.74Å; L341-F454 HydrophobicContact CB-CE2 3.73Å; L341-F454 HydrophobicContact CB-CG 3.84Å; L341-F454 HydrophobicContact CB-CZ 3.66Å; L341-F454 HydrophobicContact CD1-CZ 4.24Å; L341-F454 HydrophobicContact CD2-CD2 4.39Å; L341-F454 HydrophobicContact CD2-CE2 3.68Å; L341-F454 HydrophobicContact CD2-CZ 3.82Å; L341-F454 HydrophobicContact CG-CE2 4.27Å; L341-F454 HydrophobicContact CG-CZ 4.11Å
342V91.3Very high88.3Confident3 Ų351.2 Ų51.22%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-123.6150-174.6-60.50000111.6L180 C222 A223 E340 L365 H366L180-V342 HydrophobicContact CD1-CG2 3.96Å; C222-V342 CarbonylContact C-O 3.53Å; C222-V342 VanDerWaalsContact CA-O 3.26Å; C222-V342 WeakPolarHBondContact CA-O 3.2Å; A223-V342 HydrophobicContact CB-CG2 3.97Å; A223-V342 PolarHBondContact N-O 2.92Å; A223-V342 WeakPolarHBondContact O-CG2 3.38Å; A223-V342 PolarHBondContact O-N 3.41Å; E340-V342 HydrophobicContact CB-CG1 4.42Å; V342-L365 HydrophobicContact CG1-CB 4.38Å; V342-H366 CarbonylContact C-O 3.54Å; V342-H366 WeakPolarHBondContact CA-O 3.3Å
343L90.4Very high88.1Confident83 Ų8353.6 Ų53.644%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-69130.1173.7-77.6160.3000110.2P345 H366 F368L343-P345 WeakPolarHBondContact O-CD 3.3Å; L343-H366 HydrophobicContact CB-CB 4.26Å; L343-H366 HydrophobicContact CD1-CB 3.9Å; L343-H366 PolarHBondContact N-O 3.34Å; L343-F368 HydrophobicContact CD2-CD2 3.43Å; L343-F368 VanDerWaalsContact CD2-CD2 3.43Å; L343-F368 HydrophobicContact CD2-CE2 3.98Å; L343-F368 HydrophobicContact CD2-CG 4.39Å; L343-F368 HydrophobicContact CG-CB 4.27Å; L343-F368 HydrophobicContact CG-CD2 3.98Å
344L86.9Confident88.2Confident36 Ų3662.8 Ų62.819%0.18832%0.319CS..PPolyproline II helixtrans-72.4123.9174.7-172.667.4000109.5L180 A183 L194 D221L180-L344 HydrophobicContact CB-CD1 4.47Å; L180-L344 HydrophobicContact CD2-CD1 4.08Å; A183-L344 HydrophobicContact CB-CD1 4.34Å; L194-L344 HydrophobicContact CD1-CD1 4.32Å; L194-L344 HydrophobicContact CD1-CD2 3.83Å; D221-L344 HydrophobicContact CB-CB 4.47Å; D221-L344 WeakPolarHBondContact O-CB 3.28Å; D221-L344 PolarHBondContact O-N 2.78Å
345P86.8Confident88.3Confident23 Ų2364.9 Ų64.915%0.14933%0.326CS..PPolyproline II helixtrans-61.7157.4174.4-22.334.4000112.1L180 L343 Q347 V360L180-P345 HydrophobicContact CB-CG 4.11Å; L343-P345 WeakPolarHBondContact O-CD 3.3Å; P345-Q347 PolarHBondContact O-N 2.95Å; P345-Q347 VanDerWaalsContact O-N 3.14Å; P345-Q347 PolarHBondContact O-NE2 3.22Å; P345-V360 HydrophobicContact CB-CG2 4.12Å; P345-V360 HydrophobicContact CG-CG2 4.33Å
346R85.4Confident88.3Confident196 Ų19669.5 Ų69.574%0.7435%0.347SS*.PPolyproline II helixtrans-61.6119.5176.6-73.2-174.2172.5-165.1-1.6110.9
347Q86.8Confident88Confident36 Ų3671.9 Ų71.917%0.16836%0.362CS..PPolyproline II helixtrans-66.9151.8-177.3-62.4-56.4-5500112.9L180 I184 P345L180-Q347 PolarHBondContact O-NE2 3.4Å; I184-Q347 HydrophobicContact CB-CB 4.34Å; I184-Q347 HydrophobicContact CD1-CB 4.38Å; P345-Q347 PolarHBondContact O-N 2.95Å; P345-Q347 VanDerWaalsContact O-N 3.14Å; P345-Q347 PolarHBondContact O-NE2 3.22Å
348P86.4Confident87.5Confident10 Ų1074.4 Ų74.47%0.06538%0.378CS..PPolyproline II helixtrans-56.9138.7177.1-23.233.8000111.7T181 I184 Y185 T355 I356 T357T181-P348 WeakPolarHBondContact O-CD 3.45Å; T181-P348 WeakPolarHBondContact O-CG 3.43Å; I184-P348 HydrophobicContact CG2-CB 4.47Å; I184-P348 HydrophobicContact CG2-CG 4.1Å; Y185-P348 HydrophobicContact CE2-CG 4.15Å; P348-T355 HydrophobicContact CB-CG2 3.81Å; P348-I356 WeakPolarHBondContact CA-O 3.29Å; P348-T357 WeakPolarHBondContact CB-OG1 3.29Å; P348-T357 HydrophobicContact CG-CG2 4.03Å
349K86.7Confident86.8Confident150 Ų15078 Ų7865%0.65241%0.405SS*.EExtended strand (participates in β ladder)trans-123.2128.7176.4-64.3-174.6-178.7-175.40110.6V351 I356K349-V351 HydrophobicContact CB-CG2 4.5Å; K349-I356 PolarHBondContact N-O 2.82Å; K349-I356 PolarHBondContact O-N 3.01Å
350T85.7Confident86Confident104 Ų10479.6 Ų79.664%0.63842%0.415SS*.EExtended strand (participates in β ladder)trans-87113.4173.7-51.50000110.1W354T350-W354 CarbonylContact C-O 3.55Å; T350-W354 VanDerWaalsContact CA-O 3.26Å; T350-W354 WeakPolarHBondContact CA-O 3.37Å
351V87.1Confident85.3Confident74 Ų7486.2 Ų86.245%0.44844%0.443SS..EExtended strand (participates in β ladder)trans-123.6118.8178.8-176.60000109.1K349 G353 W354 I356K349-V351 HydrophobicContact CB-CG2 4.5Å; V351-G353 VanDerWaalsContact C-N 3.25Å; V351-G353 PolarHBondContact O-N 2.96Å; V351-W354 PolarHBondContact N-O 3.49Å; V351-W354 PolarHBondContact O-N 3.11Å; V351-I356 HydrophobicContact CB-CD1 4.31Å; V351-I356 HydrophobicContact CG2-CD1 4.44Å
352K88.7Confident84.7Confident203 Ų20389.9 Ų89.988%0.88347%0.468SS*.THydrogen-bonded Turntrans5239.5178.7-59.6178.3178.4178.90113.7W354K352-W354 VanDerWaalsContact C-N 3.31Å; K352-W354 PolarHBondContact O-N 2.94Å
353G87.9Confident84Confident73 Ų7392 Ų9275%0.75348%0.481SS*.THydrogen-bonded Turntrans83.1-5.2-179.100000115.5V351V351-G353 VanDerWaalsContact C-N 3.25Å; V351-G353 PolarHBondContact O-N 2.96Å
354W88.5Confident83.8Confident200 Ų20094.7 Ų94.776%0.75849%0.489SS*.EExtended strand (participates in β ladder)trans-97.1133.9173.5-64.586.8000110.5T350 V351 K352T350-W354 CarbonylContact C-O 3.55Å; T350-W354 VanDerWaalsContact CA-O 3.26Å; T350-W354 WeakPolarHBondContact CA-O 3.37Å; V351-W354 PolarHBondContact N-O 3.49Å; V351-W354 PolarHBondContact O-N 3.11Å; K352-W354 VanDerWaalsContact C-N 3.31Å; K352-W354 PolarHBondContact O-N 2.94Å
355T83.5Confident83.7Confident72 Ų7294.5 Ų94.544%0.44249%0.488SS..EExtended strand (participates in β ladder)trans-89.3115.4167.2-59.90000108.9P348P348-T355 HydrophobicContact CB-CG2 3.81Å
356I86.4Confident83.8Confident106 Ų10698.1 Ų98.154%0.54450%0.503SS..EExtended strand (participates in β ladder)trans-105.7122.9178.8-54.5174000108P348 K349 V351P348-I356 WeakPolarHBondContact CA-O 3.29Å; K349-I356 PolarHBondContact N-O 2.82Å; K349-I356 PolarHBondContact O-N 3.01Å; V351-I356 HydrophobicContact CB-CD1 4.31Å; V351-I356 HydrophobicContact CG2-CD1 4.44Å
357T83.6Confident84Confident51 Ų5193.9 Ų93.931%0.31350%0.501SS..  trans-121.3137.4-179.7-550000109.7T181 P348 C359T181-T357 HydrophobicContact CG2-CG2 3.36Å; P348-T357 WeakPolarHBondContact CB-OG1 3.29Å; P348-T357 HydrophobicContact CG-CG2 4.03Å; T357-C359 PolarHBondContact O-N 2.75Å
358T79.5Confident84.2Confident72 Ų7294.2 Ų94.244%0.44250%0.502SS..  trans-81.7113.9176-54.80000108.8
359C75.3Confident84.2Confident92 Ų92101.7 Ų101.762%0.62254%0.536SS*.  trans-80.2128.4174.7-57.30000110.6T357 K361T357-C359 PolarHBondContact O-N 2.75Å; C359-K361 HydrophobicContact CB-CG 4.42Å; C359-K361 PolarHBondContact O-N 2.66Å
360V74.7Confident84.4Confident37 Ų3795.6 Ų95.622%0.22451%0.509CS..  trans-79113170.7-168.80000108.1I177 P345 P362 P363I177-V360 HydrophobicContact CG2-CB 4.43Å; I177-V360 HydrophobicContact CG2-CG2 4.47Å; P345-V360 HydrophobicContact CB-CG2 4.12Å; P345-V360 HydrophobicContact CG-CG2 4.33Å; V360-P362 CarbonylContact O-C 3.29Å; V360-P363 WeakPolarHBondContact O-CA 3.2Å
361K76.9Confident84.4Confident184 Ų18494.3 Ų94.380%0.850%0.501SS*.SBendtrans-127118.5179.1-71.3-170.6178.3-174.80110.4C359C359-K361 HydrophobicContact CB-CG 4.42Å; C359-K361 PolarHBondContact O-N 2.66Å
362P79.2Confident84.3Confident83 Ų8391.9 Ų91.954%0.53949%0.486SS..SBendcis-66.5153.9-6.630-35000111.6V360 K364V360-P362 CarbonylContact O-C 3.29Å; P362-K364 VanDerWaalsContact C-N 3.3Å; P362-K364 HydrophobicContact CB-CG 4.41Å; P362-K364 HydrophobicContact CG-CD 4.1Å; P362-K364 HydrophobicContact CG-CG 4.14Å; P362-K364 PolarHBondContact O-N 3.28Å
363P78.3Confident84Confident47 Ų4783.9 Ų83.931%0.30545%0.453SS..  trans-69.890176.330-33.8000108.8I177 V360I177-P363 HydrophobicContact CD1-CB 3.96Å; I177-P363 WeakPolarHBondContact CD1-O 3.38Å; I177-P363 HydrophobicContact CG2-CB 4.35Å; V360-P363 WeakPolarHBondContact O-CA 3.2Å
364K84.9Confident83.2Confident139 Ų13984 Ų8460%0.60444%0.439SS*.  trans-121.8139.5173-67.1-173.4176.9-172.30109.5I177 P362 H366I177-K364 VanDerWaalsContact CD1-C 3.46Å; P362-K364 VanDerWaalsContact C-N 3.3Å; P362-K364 HydrophobicContact CB-CG 4.41Å; P362-K364 HydrophobicContact CG-CD 4.1Å; P362-K364 HydrophobicContact CG-CG 4.14Å; P362-K364 PolarHBondContact O-N 3.28Å; K364-H366 PolarHBondContact O-CE1 2.94Å; K364-H366 PolarHBondContact O-N 3.43Å; K364-H366 PolarHBondContact O-ND1 2.87Å
365L85.5Confident82Confident32 Ų3278.8 Ų78.817%0.16843%0.433CS..PPolyproline II helixtrans-68.3127.3169.7-70.3167.1000107.9D173 I176 I177 L180 L225 V342D173-L365 HydrophobicContact CB-CD1 4.12Å; D173-L365 WeakPolarHBondContact OD1-CD1 3.5Å; I176-L365 HydrophobicContact CG2-CD2 3.95Å; I177-L365 HydrophobicContact CD1-CD2 4.35Å; I177-L365 HydrophobicContact CD1-CG 4.09Å; I177-L365 HydrophobicContact CG1-CD2 3.54Å; I177-L365 HydrophobicContact CG1-CG 3.82Å; L180-L365 HydrophobicContact CD1-CD2 4.01Å; L225-L365 HydrophobicContact CD2-CD1 4.05Å; V342-L365 HydrophobicContact CG1-CB 4.38Å
366H87.9Confident80.7Confident99 Ų9982.6 Ų82.646%0.45845%0.446SS..PPolyproline II helixtrans-99.5118.3177.6-65.776.5000107.9V342 L343 K364V342-H366 CarbonylContact C-O 3.54Å; V342-H366 WeakPolarHBondContact CA-O 3.3Å; L343-H366 HydrophobicContact CB-CB 4.26Å; L343-H366 HydrophobicContact CD1-CB 3.9Å; L343-H366 PolarHBondContact N-O 3.34Å; K364-H366 PolarHBondContact O-CE1 2.94Å; K364-H366 PolarHBondContact O-N 3.43Å; K364-H366 PolarHBondContact O-ND1 2.87Å
367P90.6Very high79.2Confident107 Ų10781.8 Ų81.870%0.69544%0.44SS*.BIsolated β-bridgetrans-58.6142.2174.9-23.233.9000111
368F90.2Very high77.7Confident44 Ų4482.8 Ų82.819%0.19344%0.443CS..PPolyproline II helixtrans-91.4126.1168.8-172.7-78.5000108.6L217 C222 L341 L343 Y370L217-F368 HydrophobicContact CD2-CD1 4.29Å; L217-F368 HydrophobicContact CD2-CE1 3.82Å; L217-F368 HydrophobicContact CD2-CZ 4.48Å; C222-F368 HydrophobicContact CB-CB 4.34Å; C222-F368 HydrophobicContact CB-CD2 3.53Å; C222-F368 HydrophobicContact CB-CE2 3.9Å; C222-F368 HydrophobicContact CB-CG 3.89Å; L341-F368 HydrophobicContact CB-CB 4.37Å; L341-F368 HydrophobicContact CD2-CB 3.9Å; L341-F368 HydrophobicContact CD2-CD1 3.45Å; L341-F368 VanDerWaalsContact CD2-CD1 3.45Å; L341-F368 HydrophobicContact CD2-CE1 4.3Å; L341-F368 HydrophobicContact CD2-CG 3.96Å; L341-F368 HydrophobicContact CG-CB 3.77Å; L341-F368 HydrophobicContact CG-CD1 4.22Å; L341-F368 HydrophobicContact CG-CG 4.23Å; L341-F368 PolarHBondContact O-N 3.3Å; L343-F368 HydrophobicContact CD2-CD2 3.43Å; L343-F368 VanDerWaalsContact CD2-CD2 3.43Å; L343-F368 HydrophobicContact CD2-CE2 3.98Å; L343-F368 HydrophobicContact CD2-CG 4.39Å; L343-F368 HydrophobicContact CG-CB 4.27Å; L343-F368 HydrophobicContact CG-CD2 3.98Å; F368-Y370 PolarHBondContact O-N 3.39Å
369E87.6Confident76.4Confident166 Ų16685.9 Ų85.978%0.77645%0.45SS*.  trans-75.9115.6-179.6-170.9178.917800110.6V371E369-V371 HydrophobicContact CG-CG2 4.15Å
370Y89.7Confident75Confident22 Ų2285.8 Ų85.89%0.08645%0.447CS..  trans-127.7107.8173-177.8-102.6000108.9P214 L217 F368 V372 R399 P400 F454P214-Y370 HydrophobicContact CB-CE2 4.48Å; P214-Y370 WeakPolarHBondContact CG-OH 3.38Å; L217-Y370 HydrophobicContact CD1-CD2 4.05Å; L217-Y370 HydrophobicContact CD1-CE2 4.11Å; L217-Y370 HydrophobicContact CD1-CG 4.4Å; L217-Y370 HydrophobicContact CD2-CD2 3.68Å; L217-Y370 HydrophobicContact CD2-CE2 4.14Å; L217-Y370 HydrophobicContact CD2-CG 4.42Å; L217-Y370 HydrophobicContact CG-CD2 3.99Å; L217-Y370 HydrophobicContact CG-CE2 3.98Å; F368-Y370 PolarHBondContact O-N 3.39Å; Y370-V372 HydrophobicContact CD1-CG2 4.05Å; Y370-V372 HydrophobicContact CE1-CG2 3.56Å; Y370-R399 HydrophobicContact CE2-CB 4.06Å; Y370-R399 HydrophobicContact CE2-CG 4.23Å; Y370-R399 VanDerWaalsContact OH-C 3.27Å; Y370-R399 WeakPolarHBondContact OH-CA 3.49Å; Y370-P400 PolarHBondContact OH-O 3.43Å; Y370-F454 AromaticContact CD1-CE2 3.88Å; Y370-F454 HydrophobicContact CD1-CE2 3.88Å; Y370-F454 HydrophobicContact CG-CE2 4.17Å
371V86.6Confident73.7Confident78 Ų7888.4 Ų88.447%0.47346%0.457SS..PPolyproline II helixtrans-101.1120177.6-176.30000107.9E369 R399E369-V371 HydrophobicContact CG-CG2 4.15Å; V371-R399 WeakPolarHBondContact O-CB 3.17Å; V371-R399 WeakPolarHBondContact O-CD 3.4Å
372V85.2Confident72.2Confident23 Ų2385.4 Ų85.414%0.13945%0.449CS..PPolyproline II helixtrans-75136.4177.1171.50000110.2Y370 T374 R399 P401Y370-V372 HydrophobicContact CD1-CG2 4.05Å; Y370-V372 HydrophobicContact CE1-CG2 3.56Å; V372-T374 PolarHBondContact O-N 3.36Å; V372-R399 WeakPolarHBondContact CA-O 3.44Å; V372-R399 WeakPolarHBondContact CG1-O 3.35Å; V372-P401 HydrophobicContact CG1-CB 4.17Å; V372-P401 HydrophobicContact CG1-CG 4.48Å; V372-P401 HydrophobicContact CG2-CB 4.49Å
373D82.9Confident70.8Confident34 Ų3488.9 Ų88.918%0.18246%0.458CS..PPolyproline II helixtrans-65.5127.4177.1-61.7-26.1000109.5I378 E398 R399D373-I378 HydrophobicContact CB-CD1 4.33Å; D373-I378 HydrophobicContact CB-CG1 4.28Å; D373-E398 WeakPolarHBondContact OD2-CA 3.27Å; D373-R399 PolarHBondContact N-O 2.79Å; D373-R399 PolarHBondContact OD2-N 2.91Å
374T71Confident69.4Low76 Ų7690.7 Ų90.747%0.46647%0.472SS..PPolyproline II helixtrans-76.8150.1176.548.30000110.8V372 E376 E377 I378V372-T374 PolarHBondContact O-N 3.36Å; T374-E376 PolarHBondContact O-N 3.45Å; T374-E377 PolarHBondContact N-OE2 3.42Å; T374-E377 VanDerWaalsContact N-OE2 3.14Å; T374-E377 PolarHBondContact O-N 3.23Å; T374-E377 VanDerWaalsContact OG1-CD 3.29Å; T374-E377 VanDerWaalsContact OG1-CG 3.32Å; T374-E377 WeakPolarHBondContact OG1-CG 3.3Å; T374-E377 PolarHBondContact OG1-OE2 3.24Å; T374-I378 PolarHBondContact O-N 2.99Å
375S62.4Low67.6Low90 Ų9088 Ų8863%0.62947%0.468SS*.Hα-helixtrans-57.8-21.6177.2-67.80000113.3K379S375-K379 WeakPolarHBondContact O-CG 3.47Å; S375-K379 PolarHBondContact O-N 3.48Å
376E56.1Low65.4Low152 Ų15294.7 Ų94.771%0.7150%0.5SS*.Hα-helixtrans-77-39.4175.4-64.6-169.9166.700112.7T374 I378 K379 T380T374-E376 PolarHBondContact O-N 3.45Å; E376-I378 VanDerWaalsContact C-N 3.32Å; E376-I378 PolarHBondContact O-N 2.98Å; E376-K379 PolarHBondContact O-N 3.19Å; E376-T380 PolarHBondContact O-N 3.36Å; E376-T380 PolarHBondContact O-OG1 3.47Å
377E54.8Low63.3Low89 Ų8998.3 Ų98.342%0.41652%0.517SS..Hα-helixtrans-64.3-38.2175.5-72.5170.3159.800111.3T374 K379 T380 E381T374-E377 PolarHBondContact N-OE2 3.42Å; T374-E377 VanDerWaalsContact N-OE2 3.14Å; T374-E377 PolarHBondContact O-N 3.23Å; T374-E377 VanDerWaalsContact OG1-CD 3.29Å; T374-E377 VanDerWaalsContact OG1-CG 3.32Å; T374-E377 WeakPolarHBondContact OG1-CG 3.3Å; T374-E377 PolarHBondContact OG1-OE2 3.24Å; E377-K379 VanDerWaalsContact C-N 3.35Å; E377-K379 PolarHBondContact O-N 3.23Å; E377-T380 WeakPolarHBondContact CA-OG1 3.1Å; E377-T380 PolarHBondContact O-OG1 3.44Å; E377-E381 PolarHBondContact O-N 3.19Å
378I53.5Low60.8Low73 Ų73102.5 Ų102.537%0.37453%0.527SS..Hα-helixtrans-67.1-35.6176.3-57.6168.5000111.1D373 T374 E376 N382D373-I378 HydrophobicContact CB-CD1 4.33Å; D373-I378 HydrophobicContact CB-CG1 4.28Å; T374-I378 PolarHBondContact O-N 2.99Å; E376-I378 VanDerWaalsContact C-N 3.32Å; E376-I378 PolarHBondContact O-N 2.98Å; I378-N382 WeakPolarHBondContact O-CB 3.4Å; I378-N382 VanDerWaalsContact O-CG 3.25Å; I378-N382 PolarHBondContact O-N 3.44Å; I378-N382 PolarHBondContact O-ND2 3.32Å
379K51.3Low58.4Low137 Ų137105.7 Ų105.760%0.59655%0.551SS**Hα-helixtrans-78.4-44.5179.1-74.1177.5-176.1178.90112.8S375 E376 E377 E381 N382 E383S375-K379 WeakPolarHBondContact O-CG 3.47Å; S375-K379 PolarHBondContact O-N 3.48Å; E376-K379 PolarHBondContact O-N 3.19Å; E377-K379 VanDerWaalsContact C-N 3.35Å; E377-K379 PolarHBondContact O-N 3.23Å; K379-E381 VanDerWaalsContact C-N 3.31Å; K379-E381 PolarHBondContact O-N 2.89Å; K379-N382 PolarHBondContact O-N 2.86Å; K379-E383 WeakPolarHBondContact O-CB 3.32Å; K379-E383 PolarHBondContact O-N 2.92Å
380T46.6Very low56.2Low89 Ų89104.4 Ų104.455%0.54656%0.557SS.*Hα-helixtrans-65-33.4-179.737.10000112.5E376 E377 S384E376-T380 PolarHBondContact O-N 3.36Å; E376-T380 PolarHBondContact O-OG1 3.47Å; E377-T380 WeakPolarHBondContact CA-OG1 3.1Å; E377-T380 PolarHBondContact O-OG1 3.44Å; T380-S384 WeakPolarHBondContact O-CB 3.14Å; T380-S384 PolarHBondContact O-N 2.63Å; T380-S384 VanDerWaalsContact O-N 3.13Å; T380-S384 PolarHBondContact O-OG 3.15Å
381E45.9Very low53.8Low93 Ų93113.5 Ų113.544%0.43559%0.591SS.*Hα-helixtrans-77.2-35.9174.1-72.2-17616500112.5E377 K379 S384 V385 K396E377-E381 PolarHBondContact O-N 3.19Å; K379-E381 VanDerWaalsContact C-N 3.31Å; K379-E381 PolarHBondContact O-N 2.89Å; E381-S384 PolarHBondContact O-OG 3.38Å; E381-V385 VanDerWaalsContact O-CG2 3.29Å; E381-V385 WeakPolarHBondContact O-CG2 3.28Å; E381-V385 PolarHBondContact O-N 2.9Å; E381-K396 IonicContact OE1-NZ 3.84Å; E381-K396 PolarHBondContact OE1-NZ 2.76Å; E381-K396 WeakPolarHBondContact OE2-CD 3.33Å; E381-K396 IonicContact OE2-NZ 3.64Å; E381-K396 PolarHBondContact OE2-NZ 2.92Å
382N47Very low51.7Low121 Ų121119.5 Ų119.565%0.64761%0.61SS**Hα-helixtrans-73.8-31.4176.9-74.6-37.6000113.3I378 K379I378-N382 WeakPolarHBondContact O-CB 3.4Å; I378-N382 VanDerWaalsContact O-CG 3.25Å; I378-N382 PolarHBondContact O-N 3.44Å; I378-N382 PolarHBondContact O-ND2 3.32Å; K379-N382 PolarHBondContact O-N 2.86Å
383E50.1Low49.6Very low155 Ų155125.4 Ų125.472%0.72464%0.637SS**Hα-helixtrans-80.5-29.1175.2-74.7-176.7170.500113K379 V385K379-E383 WeakPolarHBondContact O-CB 3.32Å; K379-E383 PolarHBondContact O-N 2.92Å; E383-V385 VanDerWaalsContact C-N 3.28Å; E383-V385 PolarHBondContact O-N 3.2Å
384S47.9Very low47.8Very low86 Ų86132.7 Ų132.760%0.60167%0.669SS**Hα-helixtrans-78.3-8.1177.559.10000114.2T380 E381 M386T380-S384 WeakPolarHBondContact O-CB 3.14Å; T380-S384 PolarHBondContact O-N 2.63Å; T380-S384 VanDerWaalsContact O-N 3.13Å; T380-S384 PolarHBondContact O-OG 3.15Å; E381-S384 PolarHBondContact O-OG 3.38Å; S384-M386 VanDerWaalsContact C-N 3.33Å; S384-M386 PolarHBondContact O-N 2.85Å
385V46.4Very low46.9Very low83 Ų83138.1 Ų138.150%0.50369%0.687SS.*  trans-99.751.6173.3-169.50000110.4E381 E383E381-V385 VanDerWaalsContact O-CG2 3.29Å; E381-V385 WeakPolarHBondContact O-CG2 3.28Å; E381-V385 PolarHBondContact O-N 2.9Å; E383-V385 VanDerWaalsContact C-N 3.28Å; E383-V385 PolarHBondContact O-N 3.2Å
386M40.6Very low46.9Very low172 Ų172139.6 Ų139.685%0.84768%0.682SS**  trans-108.445.9155.7-84.4-163.869.400110.3S384S384-M386 VanDerWaalsContact C-N 3.33Å; S384-M386 PolarHBondContact O-N 2.85Å
387E43.5Very low47.5Very low175 Ų175137.8 Ų137.882%0.81867%0.673SS**SBendtrans-133.5124.4160-77.9-161.8161.900111.5T389E387-T389 PolarHBondContact O-N 2.78Å; E387-T389 VanDerWaalsContact O-N 3.17Å
388E38.4Very low48.8Very low194 Ų194140.7 Ų140.791%0.90769%0.687SS**  trans-65.5101.8-172.3-59.4176.5152.300111.7
389T39.4Very low50.4Low112 Ų112142.1 Ų142.169%0.68769%0.688SS**  trans-156.3129.3146.429.70000110.8E387 R391E387-T389 PolarHBondContact O-N 2.78Å; E387-T389 VanDerWaalsContact O-N 3.17Å; T389-R391 PolarHBondContact O-N 3.21Å
390P42.1Very low52.3Low139 Ų139138.3 Ų138.390%0.90368%0.677SS**  trans-81.371.4179.534.6-32.7000109.5
391R39Very low54.4Low212 Ų212136.7 Ų136.780%0.867%0.668SS**  trans-77.6129.5154.4-71.2-176-179.9-175.42105.8T389 Q393T389-R391 PolarHBondContact O-N 3.21Å; R391-Q393 VanDerWaalsContact C-N 3.34Å; R391-Q393 PolarHBondContact O-N 3.16Å
392K42.2Very low56.6Low204 Ų204132.3 Ų132.389%0.88765%0.647SS**  trans-40.7101.5172.9-75.8175.4174.31790108E394K392-E394 VanDerWaalsContact C-N 3.28Å; K392-E394 PolarHBondContact O-N 3.12Å
393Q40.3Very low58.8Low148 Ų148130.7 Ų130.769%0.69264%0.636SS**  trans-63.9100.8171.9-75.1172.4-15.800104.1R391 K395R391-Q393 VanDerWaalsContact C-N 3.34Å; R391-Q393 PolarHBondContact O-N 3.16Å; Q393-K395 VanDerWaalsContact C-N 3.25Å; Q393-K395 PolarHBondContact O-N 3.05Å
394E45.5Very low60.9Low186 Ų186123.5 Ų123.587%0.86960%0.602SS**  trans-54.5105.4157.6-70.2-179.5169.800104K392 K396K392-E394 VanDerWaalsContact C-N 3.28Å; K392-E394 PolarHBondContact O-N 3.12Å; E394-K396 VanDerWaalsContact C-N 3.33Å; E394-K396 PolarHBondContact O-N 2.81Å
395K53Low63.1Low191 Ų191123.6 Ų123.683%0.8359%0.592SS**  trans-56.5104.5176.7-79.6-176173.2-174.70105.8Q393 E397Q393-K395 VanDerWaalsContact C-N 3.25Å; Q393-K395 PolarHBondContact O-N 3.05Å; K395-E397 PolarHBondContact O-N 3.22Å; K395-E397 VanDerWaalsContact O-N 3.16Å
396K61.1Low65.2Low121 Ų121120.1 Ų120.153%0.52657%0.571SS.*  trans-56.3120.9171.2-167.9179.2174.6-169.20106E381 E394 E398E381-K396 IonicContact OE1-NZ 3.84Å; E381-K396 PolarHBondContact OE1-NZ 2.76Å; E381-K396 WeakPolarHBondContact OE2-CD 3.33Å; E381-K396 IonicContact OE2-NZ 3.64Å; E381-K396 PolarHBondContact OE2-NZ 2.92Å; E394-K396 VanDerWaalsContact C-N 3.33Å; E394-K396 PolarHBondContact O-N 2.81Å; K396-E398 PolarHBondContact O-N 2.69Å
397E69.9Low67.6Low113 Ų113116.7 Ų116.753%0.52855%0.548SS..  trans-72.4113.8-176.8-63.6-175.2158.300108.7V216 K395V216-E397 HydrophobicContact CG2-CB 3.62Å; K395-E397 PolarHBondContact O-N 3.22Å; K395-E397 VanDerWaalsContact O-N 3.16Å
398E80.9Confident69.6Low150 Ų150108.9 Ų108.970%0.70151%0.512SS*.  trans-58.2136.6178.3-65.2171.6-177.600111.1D373 K396 P400D373-E398 WeakPolarHBondContact OD2-CA 3.27Å; K396-E398 PolarHBondContact O-N 2.69Å; E398-P400 VanDerWaalsContact C-CD 3.43Å; E398-P400 WeakPolarHBondContact O-CD 3.2Å
399R86.8Confident71.6Confident104 Ų104102.6 Ų102.639%0.39249%0.488SS..  trans-111.179.8175.8-60.9177.6-179.5-176.8-2.8109.4V216 Y370 V371 V372 D373V216-R399 HydrophobicContact CG2-CG 4.35Å; Y370-R399 HydrophobicContact CE2-CB 4.06Å; Y370-R399 HydrophobicContact CE2-CG 4.23Å; Y370-R399 VanDerWaalsContact OH-C 3.27Å; Y370-R399 WeakPolarHBondContact OH-CA 3.49Å; V371-R399 WeakPolarHBondContact O-CB 3.17Å; V371-R399 WeakPolarHBondContact O-CD 3.4Å; V372-R399 WeakPolarHBondContact CA-O 3.44Å; V372-R399 WeakPolarHBondContact CG1-O 3.35Å; D373-R399 PolarHBondContact N-O 2.79Å; D373-R399 PolarHBondContact OD2-N 2.91Å
400P91.2Very high73.2Confident57 Ų57104.7 Ų104.737%0.3749%0.487SS..PPolyproline II helixtrans-73.9161.3-179.831.7-36.9000112.1P214 Y370 E398P214-P400 HydrophobicContact CB-CG 4.44Å; P214-P400 HydrophobicContact CG-CG 4.47Å; Y370-P400 PolarHBondContact OH-O 3.43Å; E398-P400 VanDerWaalsContact C-CD 3.43Å; E398-P400 WeakPolarHBondContact O-CD 3.2Å
401P91.4Very high74.4Confident54 Ų5498.7 Ų98.735%0.35145%0.449SS..PPolyproline II helixtrans-65.1154.8166.931.9-36.3000110.6V372 S450V372-P401 HydrophobicContact CG1-CB 4.17Å; V372-P401 HydrophobicContact CG1-CG 4.48Å; V372-P401 HydrophobicContact CG2-CB 4.49Å; P401-S450 WeakPolarHBondContact CB-OG 3.36Å
402I92.3Very high76.3Confident1 Ų189 Ų891%0.00541%0.413CS..EExtended strand (participates in β ladder)trans-91.6125.9-175.7-66.9169.2000108.9F211 D212 P214 L217 F224 F339 V404 S450 T451 F454F211-I402 HydrophobicContact CB-CG2 4.28Å; F211-I402 HydrophobicContact CD2-CG2 4.5Å; D212-I402 WeakPolarHBondContact O-CG2 3.37Å; P214-I402 HydrophobicContact CG-CD1 4.37Å; P214-I402 HydrophobicContact CG-CG1 3.83Å; L217-I402 HydrophobicContact CD1-CD1 4.3Å; F224-I402 HydrophobicContact CE1-CD1 4.13Å; F339-I402 HydrophobicContact CZ-CG2 4.27Å; I402-V404 HydrophobicContact CG2-CG2 4Å; I402-S450 CarbonylContact O-C 3.56Å; I402-S450 WeakPolarHBondContact O-CA 3.22Å; I402-T451 HydrophobicContact CB-CG2 4.2Å; I402-T451 PolarHBondContact N-O 3.3Å; I402-T451 PolarHBondContact O-N 2.87Å; I402-F454 HydrophobicContact CD1-CE1 3.86Å; I402-F454 HydrophobicContact CD1-CE2 4.11Å; I402-F454 HydrophobicContact CD1-CZ 3.26Å
403Q93.8Very high78Confident88 Ų8882.9 Ų82.941%0.41139%0.389SS..EExtended strand (participates in β ladder)trans-83.3133.5169.4-64-172.73.700109.6F211 D212 I438 F449F211-Q403 CarbonylContact C-O 3.5Å; F211-Q403 WeakPolarHBondContact CA-O 3.4Å; D212-Q403 HydrophobicContact CB-CB 4.48Å; D212-Q403 PolarHBondContact N-O 3.34Å; Q403-I438 HydrophobicContact CG-CD1 4.02Å; Q403-F449 CarbonylContact C-O 3.53Å; Q403-F449 WeakPolarHBondContact CA-O 3.41Å
404V93.4Very high80.1Confident3 Ų376.4 Ų76.42%0.01836%0.359CS..EExtended strand (participates in β ladder)trans-126.8131.2177.8-1740000107.9T210 F211 F339 I402 I406 V448 F449 T451T210-V404 CarbonylContact O-C 3.53Å; T210-V404 WeakPolarHBondContact O-CA 3.44Å; F211-V404 HydrophobicContact CB-CB 4.42Å; F211-V404 HydrophobicContact CB-CG1 4.36Å; F211-V404 HydrophobicContact CB-CG2 3.98Å; F339-V404 HydrophobicContact CE1-CG2 4.27Å; F339-V404 HydrophobicContact CZ-CG2 4.09Å; I402-V404 HydrophobicContact CG2-CG2 4Å; V404-I406 HydrophobicContact CG1-CG2 4.07Å; V404-V448 CarbonylContact O-C 3.42Å; V404-V448 WeakPolarHBondContact O-CA 3.25Å; V404-F449 HydrophobicContact CB-CD1 4.17Å; V404-F449 HydrophobicContact CB-CD2 4.23Å; V404-F449 HydrophobicContact CB-CE1 3.69Å; V404-F449 HydrophobicContact CB-CE2 3.76Å; V404-F449 HydrophobicContact CB-CG 4.43Å; V404-F449 HydrophobicContact CB-CZ 3.48Å; V404-F449 VanDerWaalsContact CB-CZ 3.48Å; V404-F449 HydrophobicContact CG1-CE1 3.68Å; V404-F449 HydrophobicContact CG1-CE2 4.34Å; V404-F449 HydrophobicContact CG1-CZ 3.58Å; V404-F449 HydrophobicContact CG2-CE2 3.91Å; V404-F449 HydrophobicContact CG2-CZ 3.98Å; V404-F449 PolarHBondContact N-O 3.15Å; V404-F449 PolarHBondContact O-N 3.19Å; V404-T451 HydrophobicContact CG2-CG2 4.26Å
405K93.3Very high81.8Confident88 Ų8870.1 Ų70.138%0.38333%0.333SS..EExtended strand (participates in β ladder)trans-117.1124.1173.3176.4176.1-178-177.40108.5L209 T210 I447 V448L209-K405 CarbonylContact C-O 3.46Å; L209-K405 WeakPolarHBondContact CA-O 3.46Å; T210-K405 PolarHBondContact N-O 2.71Å; T210-K405 PolarHBondContact O-N 2.9Å; K405-I447 CarbonylContact C-O 3.55Å; K405-I447 VanDerWaalsContact CA-O 3.29Å; K405-I447 WeakPolarHBondContact CA-O 3.49Å; K405-V448 HydrophobicContact CB-CG2 4.11Å; K405-V448 HydrophobicContact CD-CG2 4.16Å; K405-V448 HydrophobicContact CG-CG2 3.91Å
406I91.5Very high83.4Confident11 Ų1166.3 Ų66.36%0.05632%0.318CS..EExtended strand (participates in β ladder)trans-122.1139.7176.157.3178000109.7L209 I337 V404 T446 I447 F449 I459L209-I406 HydrophobicContact CB-CG2 4.32Å; L209-I406 HydrophobicContact CD1-CG2 3.62Å; L209-I406 HydrophobicContact CG-CG2 3.74Å; I337-I406 HydrophobicContact CD1-CD1 4.07Å; V404-I406 HydrophobicContact CG1-CG2 4.07Å; I406-T446 CarbonylContact O-C 3.57Å; I406-T446 VanDerWaalsContact O-CA 3.26Å; I406-T446 WeakPolarHBondContact O-CA 3.44Å; I406-I447 HydrophobicContact CD1-CB 4.37Å; I406-I447 HydrophobicContact CG1-CB 3.88Å; I406-I447 PolarHBondContact N-O 3.47Å; I406-I447 PolarHBondContact O-N 3.06Å; I406-F449 HydrophobicContact CD1-CE1 4.17Å; I406-F449 HydrophobicContact CG1-CE1 4.4Å; I406-F449 HydrophobicContact CG2-CE1 4.44Å; I406-I459 HydrophobicContact CD1-CD1 3.66Å; I406-I459 HydrophobicContact CD1-CG1 4.37Å
407R89.8Confident84.8Confident100 Ų10066 Ų6638%0.37732%0.322SS..EExtended strand (participates in β ladder)trans-92.8125.4164.2-168.9-177.1-60.5-86.85.6109.5D208 D444 N445 T446D208-R407 HydrophobicContact CB-CB 3.57Å; D208-R407 PolarHBondContact O-N 3.24Å; D208-R407 WeakPolarHBondContact OD2-CD 3.41Å; D208-R407 IonicContact OD2-CZ 2.76Å; D208-R407 IonicContact OD2-NE 2.69Å; D208-R407 PolarHBondContact OD2-NE 3.49Å; D208-R407 IonicContact OD2-NH2 2.83Å; R407-D444 PolarHBondContact NH1-O 2.78Å; R407-N445 CarbonylContact C-O 3.51Å; R407-N445 WeakPolarHBondContact CA-O 3.25Å; R407-T446 HydrophobicContact CB-CG2 4.07Å; R407-T446 HydrophobicContact CG-CG2 4.05Å
408I85.4Confident85.9Confident10 Ų1060.8 Ų60.85%0.05130%0.298CS..PPolyproline II helixtrans-80.8138.4177.2-49.1178000108.3K410 I412 I414 F440 N445 I447I408-K410 PolarHBondContact O-N 2.58Å; I408-I412 HydrophobicContact CG2-CB 3.8Å; I408-I412 HydrophobicContact CG2-CD1 3.79Å; I408-I412 HydrophobicContact CG2-CG1 4.33Å; I408-I412 HydrophobicContact CG2-CG2 4.07Å; I408-I414 HydrophobicContact CD1-CD1 3.16Å; I408-I414 HydrophobicContact CD1-CG1 4.24Å; I408-F440 HydrophobicContact CD1-CE2 4.34Å; I408-N445 HydrophobicContact CB-CB 4.43Å; I408-N445 PolarHBondContact N-O 3.49Å; I408-I447 HydrophobicContact CD1-CD1 3.24Å; I408-I447 HydrophobicContact CD1-CG1 3.69Å; I408-I447 HydrophobicContact CG1-CD1 3.95Å; I408-I447 HydrophobicContact CG1-CG1 4.28Å
409P80.6Confident86.5Confident63 Ų6356.7 Ų56.741%0.40928%0.281SS..PPolyproline II helixtrans-50.1137.2171.2-28.635.3000112.1C411 I412P409-C411 PolarHBondContact O-N 3.01Å; P409-I412 HydrophobicContact CB-CD1 4.5Å; P409-I412 HydrophobicContact CG-CD1 4.42Å; P409-I412 PolarHBondContact O-N 3.46Å
410K73.6Confident86.9Confident155 Ų15552.1 Ų52.167%0.67426%0.264SS*.THydrogen-bonded Turntrans-57.3-13.8178.2-66-174.6178.5-177.50114.4I408 I412I408-K410 PolarHBondContact O-N 2.58Å; K410-I412 VanDerWaalsContact C-N 3.29Å
411C68.5Low87.2Confident14 Ų1449.4 Ų49.410%0.09525%0.247CC..THydrogen-bonded Turntrans-83.7-0.7179.565.60000115.3P409 H653 R656P409-C411 PolarHBondContact O-N 3.01Å; C411-H653 CarbonylContact C-O 3.57Å; C411-H653 WeakPolarHBondContact CA-O 3.37Å; C411-H653 HydrophobicContact CB-CB 4.31Å; C411-H653 WeakPolarHBondContact CB-O 3.33Å; C411-R656 HydrophobicContact CB-CB 3.88Å; C411-R656 HydrophobicContact CB-CG 4.22Å
412I77.9Confident87.4Confident8 Ų848.7 Ų48.74%0.04124%0.237CC..  trans-112.3128.3177.9-59.5171.8000107I333 I408 P409 K410 I414I333-I412 HydrophobicContact CB-CG2 4.39Å; I333-I412 HydrophobicContact CD1-CG2 4.22Å; I408-I412 HydrophobicContact CG2-CB 3.8Å; I408-I412 HydrophobicContact CG2-CD1 3.79Å; I408-I412 HydrophobicContact CG2-CG1 4.33Å; I408-I412 HydrophobicContact CG2-CG2 4.07Å; P409-I412 HydrophobicContact CB-CD1 4.5Å; P409-I412 HydrophobicContact CG-CD1 4.42Å; P409-I412 PolarHBondContact O-N 3.46Å; K410-I412 VanDerWaalsContact C-N 3.29Å; I412-I414 HydrophobicContact CG2-CG1 4.11Å
413I78Confident87.6Confident75 Ų7549.5 Ų49.539%0.38524%0.24SC..  trans-106.6115.1178.7-58.1172.8000107V415 Q461I413-V415 HydrophobicContact CG2-CG2 4.1Å; I413-Q461 PolarHBondContact O-OE1 3.14Å
414I83.4Confident87.6Confident13 Ų1345.6 Ų45.67%0.06722%0.222CC..  trans-107122.1173.5-62.2-171.9000106.8I333 I408 I412 E416 P418 F440 I447 I459I333-I414 HydrophobicContact CD1-CD1 3.39Å; I333-I414 HydrophobicContact CD1-CG1 3.56Å; I408-I414 HydrophobicContact CD1-CD1 3.16Å; I408-I414 HydrophobicContact CD1-CG1 4.24Å; I412-I414 HydrophobicContact CG2-CG1 4.11Å; I414-E416 WeakPolarHBondContact CG2-O 3.22Å; I414-P418 HydrophobicContact CD1-CB 4.12Å; I414-P418 HydrophobicContact CD1-CG 4.19Å; I414-P418 HydrophobicContact CG2-CB 4.14Å; I414-P418 HydrophobicContact CG2-CG 4.19Å; I414-F440 HydrophobicContact CB-CE1 4.07Å; I414-F440 HydrophobicContact CB-CE2 4.3Å; I414-F440 HydrophobicContact CB-CZ 3.63Å; I414-F440 HydrophobicContact CD1-CE2 4.46Å; I414-F440 HydrophobicContact CG2-CD1 4.31Å; I414-F440 HydrophobicContact CG2-CE1 3.62Å; I414-F440 HydrophobicContact CG2-CE2 4.31Å; I414-F440 HydrophobicContact CG2-CZ 3.65Å; I414-I447 HydrophobicContact CD1-CD1 4.25Å; I414-I459 HydrophobicContact CD1-CG2 4.42Å
415V81.7Confident87.6Confident53 Ų5349.9 Ų49.932%0.32125%0.25SC..  trans-100.9-27.2-173.6-170.70000112.1I413 C599I413-V415 HydrophobicContact CG2-CG2 4.1Å; V415-C599 HydrophobicContact CB-CB 4.27Å; V415-C599 HydrophobicContact CG1-CB 3.8Å; V415-C599 HydrophobicContact CG2-CB 3.77Å
416E86.7Confident87.6Confident111 Ų11154 Ų5452%0.51927%0.27SS..SBendtrans-125.1166.5179.8-65-173.4165.200109.9I414 P418 I465I414-E416 WeakPolarHBondContact CG2-O 3.22Å; E416-P418 WeakPolarHBondContact O-CD 3.45Å; E416-P418 VanDerWaalsContact O-N 3.08Å; E416-I465 HydrophobicContact CG-CD1 3.84Å; E416-I465 WeakPolarHBondContact OE1-CD1 3.5Å
417D91.3Very high87.7Confident115 Ų11558.3 Ų58.362%0.61529%0.289SS*.PPolyproline II helixtrans-55118.4174.3-82.8-22.7000110.2L437D417-L437 HydrophobicContact CB-CD2 3.9Å
418P92.2Very high87.9Confident4 Ų457.2 Ų57.23%0.02629%0.29CS..PPolyproline II helixtrans-75.8144.5-173.128.8-32.8000110.9I414 E416 F440 I447 I459I414-P418 HydrophobicContact CD1-CB 4.12Å; I414-P418 HydrophobicContact CD1-CG 4.19Å; I414-P418 HydrophobicContact CG2-CB 4.14Å; I414-P418 HydrophobicContact CG2-CG 4.19Å; E416-P418 WeakPolarHBondContact O-CD 3.45Å; E416-P418 VanDerWaalsContact O-N 3.08Å; P418-F440 HydrophobicContact CG-CG 4.44Å; P418-I447 HydrophobicContact CB-CD1 4.39Å; P418-I447 HydrophobicContact CG-CD1 3.58Å; P418-I447 HydrophobicContact CG-CG1 4Å; P418-I459 HydrophobicContact CB-CG2 3.62Å; P418-I459 HydrophobicContact CG-CG2 4.33Å
419L94.1Very high88.4Confident63 Ų6357.3 Ų57.333%0.3329%0.29SS..EExtended strand (participates in β ladder)trans-81.5137.7172.2-66.6-177.5000109.9I325 Y330 I459 F460I325-L419 HydrophobicContact CD1-CB 4.39Å; Y330-L419 HydrophobicContact CD1-CD1 3.86Å; Y330-L419 HydrophobicContact CE1-CD1 3.35Å; Y330-L419 HydrophobicContact CE1-CG 4.26Å; Y330-L419 HydrophobicContact CE2-CD1 4.13Å; Y330-L419 HydrophobicContact CG-CD1 4.44Å; L419-I459 CarbonylContact O-C 3.55Å; L419-F460 HydrophobicContact CB-CB 4.02Å; L419-F460 PolarHBondContact N-O 2.76Å; L419-F460 PolarHBondContact O-N 2.61Å
420L95.8Very high89.2Confident9 Ų954.3 Ų54.35%0.04727%0.271CS..EExtended strand (participates in β ladder)trans-112.3132.9171.9-64.4113000109.3I435 L437 I447 F449 I457 I459L420-I435 HydrophobicContact CB-CG2 3.61Å; L420-L437 HydrophobicContact CD1-CB 3.87Å; L420-L437 HydrophobicContact CD1-CD1 3.72Å; L420-L437 HydrophobicContact CD1-CG 4.34Å; L420-I447 HydrophobicContact CD1-CG2 4.14Å; L420-I447 HydrophobicContact CD2-CG2 4.36Å; L420-F449 HydrophobicContact CD1-CB 4.03Å; L420-F449 HydrophobicContact CD2-CB 4.26Å; L420-F449 HydrophobicContact CD2-CD1 3.64Å; L420-F449 HydrophobicContact CD2-CD2 4.36Å; L420-F449 HydrophobicContact CD2-CE1 3.94Å; L420-F449 HydrophobicContact CD2-CG 3.85Å; L420-F449 HydrophobicContact CD2-CZ 4.41Å; L420-I457 HydrophobicContact CD2-CG2 4.48Å; L420-I459 HydrophobicContact CD2-CG1 4.43Å
421A96.7Very high90.3Very high0 Ų049 Ų490%025%0.247CC..EExtended strand (participates in β ladder)trans-141.2154.3173.800000111.9I325 W430 R431 T432 I457 A458 F460I325-A421 HydrophobicContact CD1-CB 3.29Å; I325-A421 HydrophobicContact CG1-CB 3.93Å; A421-W430 HydrophobicContact CB-CB 4.1Å; A421-R431 CarbonylContact C-O 3.59Å; A421-R431 VanDerWaalsContact CA-O 3.26Å; A421-R431 WeakPolarHBondContact CA-O 3.45Å; A421-R431 VanDerWaalsContact CB-O 3.25Å; A421-R431 WeakPolarHBondContact CB-O 3.39Å; A421-T432 HydrophobicContact CB-CG2 4.36Å; A421-I457 WeakPolarHBondContact O-CA 3.31Å; A421-A458 PolarHBondContact N-O 3.01Å; A421-A458 VanDerWaalsContact N-O 3.17Å; A421-A458 PolarHBondContact O-N 3.43Å; A421-F460 HydrophobicContact CB-CD2 4.16Å; A421-F460 HydrophobicContact CB-CE2 3.77Å
422R95.3Very high91.6Very high39 Ų3950.8 Ų50.815%0.14726%0.257CS..EExtended strand (participates in β ladder)trans-102.2149.8171.867.2-174.9176.191.78.3111.4W430 R431 T433 I435 T456R422-W430 VanDerWaalsContact C-CE3 3.44Å; R422-W430 CarbonylContact O-C 3.56Å; R422-W430 WeakPolarHBondContact O-CA 3.47Å; R422-R431 PolarHBondContact N-O 3.27Å; R422-R431 PolarHBondContact O-N 3.15Å; R422-T433 PolarHBondContact NE-O 2.86Å; R422-T433 PolarHBondContact NH2-OG1 3.23Å; R422-I435 HydrophobicContact CB-CD1 3.83Å; R422-I435 HydrophobicContact CG-CD1 4.45Å; R422-T456 CarbonylContact C-O 3.55Å; R422-T456 WeakPolarHBondContact CA-O 3.25Å
423W96.2Very high92.4Very high18 Ų1853.2 Ų53.27%0.06827%0.272CS..EExtended strand (participates in β ladder)trans-73.6126.7170.3-177.5-105.4000110.4Y234 K237 C238 P425 L428 W430 T456Y234-W423 HydrophobicContact CD1-CB 4.4Å; Y234-W423 AromaticContact CD1-CD1 3.55Å; Y234-W423 AromaticContact CD1-CD2 3.81Å; Y234-W423 HydrophobicContact CD1-CD2 3.81Å; Y234-W423 AromaticContact CD1-CE2 3.77Å; Y234-W423 AromaticContact CD1-CG 3.65Å; Y234-W423 HydrophobicContact CD1-CG 3.65Å; Y234-W423 AromaticContact CD1-NE1 3.61Å; Y234-W423 AromaticContact CE1-CD1 3.91Å; Y234-W423 HydrophobicContact CE1-CG 4.29Å; Y234-W423 HydrophobicContact CG-CD2 4.17Å; Y234-W423 HydrophobicContact CG-CG 4.2Å; Y234-W423 VanDerWaalsContact O-CH2 3.24Å; Y234-W423 WeakPolarHBondContact O-CH2 3.5Å; K237-W423 HydrophobicContact CB-CH2 3.87Å; K237-W423 HydrophobicContact CB-CZ2 4.03Å; K237-W423 HydrophobicContact CD-CZ2 4.34Å; C238-W423 HydrophobicContact CB-CH2 4.45Å; C238-W423 HydrophobicContact CB-CZ3 4.28Å; W423-P425 WeakPolarHBondContact O-CD 3.44Å; W423-L428 HydrophobicContact CH2-CB 4.08Å; W423-L428 WeakPolarHBondContact CH2-O 3.3Å; W423-L428 VanDerWaalsContact CZ2-CA 3.46Å; W423-L428 HydrophobicContact CZ2-CB 3.92Å; W423-L428 HydrophobicContact CZ2-CD2 3.87Å; W423-W430 HydrophobicContact CB-CD2 4.47Å; W423-W430 HydrophobicContact CB-CE3 3.97Å; W423-W430 HydrophobicContact CB-CH2 4.16Å; W423-W430 HydrophobicContact CB-CZ3 3.78Å; W423-W430 AromaticContact CE3-CD1 3.94Å; W423-W430 AromaticContact CE3-CD2 3.77Å; W423-W430 HydrophobicContact CE3-CD2 3.77Å; W423-W430 AromaticContact CE3-CE2 3.68Å; W423-W430 HydrophobicContact CE3-CE3 4.4Å; W423-W430 AromaticContact CE3-CG 3.97Å; W423-W430 HydrophobicContact CE3-CG 3.97Å; W423-W430 HydrophobicContact CE3-CZ2 4.25Å; W423-W430 AromaticContact CE3-NE1 3.78Å; W423-W430 AromaticContact CZ3-CD1 3.93Å; W423-W430 HydrophobicContact CZ3-CG 4.35Å; W423-W430 AromaticContact CZ3-NE1 3.86Å; W423-W430 VanDerWaalsContact N-CE3 3.3Å; W423-T456 HydrophobicContact CB-CG2 4.4Å; W423-T456 PolarHBondContact N-O 2.92Å
424D95.3Very high93Very high6 Ų650.9 Ų50.93%0.03227%0.267CS..EExtended strand (participates in β ladder)trans-93.6111.8166.3-172.1-19.9000110E426 K427 L428 Q429 R431D424-E426 VanDerWaalsContact C-N 3.29Å; D424-E426 PolarHBondContact O-N 2.91Å; D424-E426 WeakPolarHBondContact OD1-CB 3.21Å; D424-E426 PolarHBondContact OD1-N 3.22Å; D424-K427 HydrophobicContact CB-CB 4.32Å; D424-K427 PolarHBondContact OD1-N 3.49Å; D424-L428 VanDerWaalsContact O-CA 3.24Å; D424-L428 WeakPolarHBondContact O-CA 3.44Å; D424-L428 PolarHBondContact O-N 3.04Å; D424-Q429 PolarHBondContact N-O 3.03Å; D424-Q429 PolarHBondContact O-N 3.07Å; D424-R431 HydrophobicContact CB-CG 4.37Å; D424-R431 IonicContact OD2-CZ 3.29Å; D424-R431 IonicContact OD2-NE 3.51Å; D424-R431 IonicContact OD2-NH1 2.75Å; D424-R431 PolarHBondContact OD2-NH1 3.09Å; D424-R431 IonicContact OD2-NH2 3.11Å; D424-R431 PolarHBondContact OD2-NH2 2.9Å
425P91.8Very high93.6Very high93 Ų9351.2 Ų51.260%0.60427%0.268SS*.THydrogen-bonded Turntrans-71.2-18.6178.830.9-35.7000114.4W423 L428W423-P425 WeakPolarHBondContact O-CD 3.44Å; P425-L428 WeakPolarHBondContact O-CD2 3.12Å
426E93.4Very high94.2Very high174 Ų17455.2 Ų55.281%0.81328%0.283SS*.THydrogen-bonded Turntrans-83.4-44.3179.8-60.4-175.3173.700111.5D424D424-E426 VanDerWaalsContact C-N 3.29Å; D424-E426 PolarHBondContact O-N 2.91Å; D424-E426 WeakPolarHBondContact OD1-CB 3.21Å; D424-E426 PolarHBondContact OD1-N 3.22Å
427K93.9Very high94.5Very high101 Ų10152.2 Ų52.244%0.43927%0.271SS..THydrogen-bonded Turntrans-88.9-13179.1-65.6-72.8-177144.10113.3E321 D424 Q429E321-K427 IonicContact OE1-NZ 2.8Å; E321-K427 PolarHBondContact OE1-NZ 3.42Å; D424-K427 HydrophobicContact CB-CB 4.32Å; D424-K427 PolarHBondContact OD1-N 3.49Å; K427-Q429 VanDerWaalsContact C-N 3.33Å; K427-Q429 WeakPolarHBondContact O-CG 3.27Å
428L95.1Very high94.7Very high78 Ų7850.8 Ų50.841%0.40826%0.262SS..THydrogen-bonded Turntrans55.145.9-174.7-55.9176.3000112.3C238 W423 D424 P425C238-L428 VanDerWaalsContact CA-O 3.25Å; C238-L428 WeakPolarHBondContact CA-O 3.21Å; W423-L428 HydrophobicContact CH2-CB 4.08Å; W423-L428 WeakPolarHBondContact CH2-O 3.3Å; W423-L428 VanDerWaalsContact CZ2-CA 3.46Å; W423-L428 HydrophobicContact CZ2-CB 3.92Å; W423-L428 HydrophobicContact CZ2-CD2 3.87Å; D424-L428 VanDerWaalsContact O-CA 3.24Å; D424-L428 WeakPolarHBondContact O-CA 3.44Å; D424-L428 PolarHBondContact O-N 3.04Å; P425-L428 WeakPolarHBondContact O-CD2 3.12Å
429Q95.6Very high94.8Very high12 Ų1256.3 Ų56.36%0.05629%0.286CS..EExtended strand (participates in β ladder)trans-140.5155.6-175.7-70.2169.82.200110.6D424 K427D424-Q429 PolarHBondContact N-O 3.03Å; D424-Q429 PolarHBondContact O-N 3.07Å; K427-Q429 VanDerWaalsContact C-N 3.33Å; K427-Q429 WeakPolarHBondContact O-CG 3.27Å
430W97.4Very high94.7Very high0 Ų054.1 Ų54.10%027%0.274CS..EExtended strand (participates in β ladder)trans-85.8125.9169.9-67.3104.7000109.7Y234 S235 A324 I325 V332 V336 A421 R422 W423 T456 A458 F460Y234-W430 HydrophobicContact CD2-CZ2 4.5Å; Y234-W430 HydrophobicContact CG-CZ2 4.34Å; S235-W430 PolarHBondContact OG-NE1 2.96Å; A324-W430 CarbonylContact C-O 3.42Å; A324-W430 VanDerWaalsContact CA-O 3.23Å; A324-W430 WeakPolarHBondContact CA-O 3.4Å; I325-W430 HydrophobicContact CB-CB 4.2Å; I325-W430 PolarHBondContact N-O 3.22Å; V332-W430 HydrophobicContact CG2-CZ2 4.47Å; V336-W430 HydrophobicContact CG1-CH2 4.06Å; V336-W430 HydrophobicContact CG2-CH2 4.21Å; V336-W430 HydrophobicContact CG2-CZ2 4.45Å; A421-W430 HydrophobicContact CB-CB 4.1Å; R422-W430 VanDerWaalsContact C-CE3 3.44Å; R422-W430 CarbonylContact O-C 3.56Å; R422-W430 WeakPolarHBondContact O-CA 3.47Å; W423-W430 HydrophobicContact CB-CD2 4.47Å; W423-W430 HydrophobicContact CB-CE3 3.97Å; W423-W430 HydrophobicContact CB-CH2 4.16Å; W423-W430 HydrophobicContact CB-CZ3 3.78Å; W423-W430 AromaticContact CE3-CD1 3.94Å; W423-W430 AromaticContact CE3-CD2 3.77Å; W423-W430 HydrophobicContact CE3-CD2 3.77Å; W423-W430 AromaticContact CE3-CE2 3.68Å; W423-W430 HydrophobicContact CE3-CE3 4.4Å; W423-W430 AromaticContact CE3-CG 3.97Å; W423-W430 HydrophobicContact CE3-CG 3.97Å; W423-W430 HydrophobicContact CE3-CZ2 4.25Å; W423-W430 AromaticContact CE3-NE1 3.78Å; W423-W430 AromaticContact CZ3-CD1 3.93Å; W423-W430 HydrophobicContact CZ3-CG 4.35Å; W423-W430 AromaticContact CZ3-NE1 3.86Å; W423-W430 VanDerWaalsContact N-CE3 3.3Å; W430-T456 HydrophobicContact CH2-CG2 4Å; W430-T456 HydrophobicContact CZ3-CG2 4.33Å; W430-A458 HydrophobicContact CE3-CB 4.17Å; W430-A458 HydrophobicContact CH2-CB 3.57Å; W430-A458 HydrophobicContact CZ2-CB 4.12Å; W430-A458 HydrophobicContact CZ3-CB 3.59Å; W430-F460 HydrophobicContact CB-CE2 4.4Å; W430-F460 HydrophobicContact CB-CZ 3.89Å; W430-F460 AromaticContact CD1-CZ 3.81Å; W430-F460 HydrophobicContact CD2-CE2 4.15Å; W430-F460 AromaticContact CD2-CZ 3.54Å; W430-F460 HydrophobicContact CD2-CZ 3.54Å; W430-F460 AromaticContact CE2-CZ 3.88Å; W430-F460 HydrophobicContact CE3-CE2 4.11Å; W430-F460 AromaticContact CE3-CZ 3.96Å; W430-F460 HydrophobicContact CE3-CZ 3.96Å; W430-F460 HydrophobicContact CG-CE1 4.28Å; W430-F460 HydrophobicContact CG-CE2 4.29Å; W430-F460 AromaticContact CG-CZ 3.5Å; W430-F460 HydrophobicContact CG-CZ 3.5Å; W430-F460 VanDerWaalsContact CG-CZ 3.5Å; W430-F460 AromaticContact NE1-CZ 4Å
431R96.3Very high94.5Very high44 Ų4455.3 Ų55.317%0.16628%0.28CS..EExtended strand (participates in β ladder)trans-122.8138.9-177.3-64.7-150-50-132.8-10.9112.6D323 A421 R422 D424 T433D323-R431 WeakPolarHBondContact O-CA 3.34Å; D323-R431 WeakPolarHBondContact OD2-CB 3.37Å; D323-R431 VanDerWaalsContact OD2-CD 3.27Å; D323-R431 WeakPolarHBondContact OD2-CD 3.41Å; D323-R431 IonicContact OD2-NE 2.85Å; A421-R431 CarbonylContact C-O 3.59Å; A421-R431 VanDerWaalsContact CA-O 3.26Å; A421-R431 WeakPolarHBondContact CA-O 3.45Å; A421-R431 VanDerWaalsContact CB-O 3.25Å; A421-R431 WeakPolarHBondContact CB-O 3.39Å; R422-R431 PolarHBondContact N-O 3.27Å; R422-R431 PolarHBondContact O-N 3.15Å; D424-R431 HydrophobicContact CB-CG 4.37Å; D424-R431 IonicContact OD2-CZ 3.29Å; D424-R431 IonicContact OD2-NE 3.51Å; D424-R431 IonicContact OD2-NH1 2.75Å; D424-R431 PolarHBondContact OD2-NH1 3.09Å; D424-R431 IonicContact OD2-NH2 3.11Å; D424-R431 PolarHBondContact OD2-NH2 2.9Å; R431-T433 VanDerWaalsContact C-N 3.31Å; R431-T433 PolarHBondContact NE-OG1 2.74Å
432T95.6Very high93.9Very high51 Ų5161.1 Ų61.131%0.31331%0.307SS..  trans-79.8-15.2175.557.70000112.4D323 I325 A421 G434 I435D323-T432 PolarHBondContact O-N 3.08Å; D323-T432 PolarHBondContact O-OG1 3.48Å; I325-T432 HydrophobicContact CD1-CG2 4.15Å; I325-T432 HydrophobicContact CG1-CG2 4.01Å; A421-T432 HydrophobicContact CB-CG2 4.36Å; T432-G434 PolarHBondContact O-N 3.41Å; T432-I435 PolarHBondContact O-N 3Å; T432-I435 VanDerWaalsContact O-N 3.16Å
433T93.9Very high93.4Very high59 Ų5966.7 Ų66.736%0.36234%0.34SS..THydrogen-bonded Turntrans-56.4126.7178.638.80000113.5D323 R422 R431 I435D323-T433 HydrophobicContact CB-CG2 3.96Å; D323-T433 WeakPolarHBondContact OD2-CB 3.43Å; D323-T433 WeakPolarHBondContact OD2-CG2 3.25Å; D323-T433 PolarHBondContact OD2-N 3.48Å; D323-T433 PolarHBondContact OD2-OG1 2.7Å; R422-T433 PolarHBondContact NE-O 2.86Å; R422-T433 PolarHBondContact NH2-OG1 3.23Å; R431-T433 VanDerWaalsContact C-N 3.31Å; R431-T433 PolarHBondContact NE-OG1 2.74Å; T433-I435 VanDerWaalsContact C-N 3.35Å
434G92Very high92.9Very high26 Ų2669.5 Ų69.527%0.26836%0.356SS..THydrogen-bonded Turntrans85.61.6177.100000114.5T432 T451 S452T432-G434 PolarHBondContact O-N 3.41Å; G434-T451 CarbonylContact O-C 3.57Å; G434-T451 VanDerWaalsContact O-CA 3.31Å; G434-T451 WeakPolarHBondContact O-CA 3.24Å; G434-T451 PolarHBondContact O-OG1 3.35Å; G434-S452 VanDerWaalsContact CA-OG 3.23Å; G434-S452 WeakPolarHBondContact CA-OG 3.29Å; G434-S452 PolarHBondContact O-N 2.95Å; G434-S452 PolarHBondContact O-OG 3.3Å
435I94.9Very high92.5Very high19 Ų1971 Ų7110%0.09737%0.365CS..EExtended strand (participates in β ladder)trans-123.3131.9173.5-56.4178.4000109.1L420 R422 T432 T433 F449 S450 V453 I457L420-I435 HydrophobicContact CB-CG2 3.61Å; R422-I435 HydrophobicContact CB-CD1 3.83Å; R422-I435 HydrophobicContact CG-CD1 4.45Å; T432-I435 PolarHBondContact O-N 3Å; T432-I435 VanDerWaalsContact O-N 3.16Å; T433-I435 VanDerWaalsContact C-N 3.35Å; I435-F449 HydrophobicContact CG2-CD2 3.83Å; I435-F449 HydrophobicContact CG2-CE2 4.43Å; I435-F449 HydrophobicContact CG2-CG 4.48Å; I435-S450 WeakPolarHBondContact CA-O 3.36Å; I435-V453 HydrophobicContact CG1-CG2 4.32Å; I435-I457 HydrophobicContact CD1-CD1 3.93Å; I435-I457 HydrophobicContact CD1-CG1 3.83Å; I435-I457 HydrophobicContact CD1-CG2 4.01Å
436Q93.8Very high92.5Very high137 Ų13767 Ų6764%0.6434%0.338SS*.EExtended strand (participates in β ladder)trans-130121.6179.7-174.2177.123.500110.2I438 F449 S450Q436-I438 PolarHBondContact O-N 2.96Å; Q436-F449 CarbonylContact O-C 3.53Å; Q436-F449 VanDerWaalsContact O-CA 3.25Å; Q436-F449 WeakPolarHBondContact O-CA 3.31Å; Q436-F449 WeakPolarHBondContact O-CB 3.45Å; Q436-S450 PolarHBondContact N-O 3.33Å; Q436-S450 PolarHBondContact O-N 3.04Å
437L95Very high92.5Very high48 Ų4858.7 Ų58.725%0.25130%0.299SS..EExtended strand (participates in β ladder)trans-64.3126.4168.3-179.766.3000109.3D417 L420 I447D417-L437 HydrophobicContact CB-CD2 3.9Å; L420-L437 HydrophobicContact CD1-CB 3.87Å; L420-L437 HydrophobicContact CD1-CD1 3.72Å; L420-L437 HydrophobicContact CD1-CG 4.34Å; L437-I447 HydrophobicContact CD1-CG2 3.61Å
438I94.8Very high92.6Very high85 Ų8555.3 Ų55.344%0.43629%0.287SS..EExtended strand (participates in β ladder)trans-94.1-49.6174.7-65167.6000109.7Q403 Q436 V448Q403-I438 HydrophobicContact CG-CD1 4.02Å; Q436-I438 PolarHBondContact O-N 2.96Å; I438-V448 WeakPolarHBondContact CA-O 3.46Å; I438-V448 HydrophobicContact CB-CB 4.46Å; I438-V448 HydrophobicContact CB-CG1 4.21Å; I438-V448 WeakPolarHBondContact CB-O 3.4Å; I438-V448 HydrophobicContact CD1-CG1 4.08Å; I438-V448 HydrophobicContact CG2-CG1 4.5Å; I438-V448 PolarHBondContact N-O 2.84Å
439K93.1Very high92.6Very high121 Ų12151.8 Ų51.853%0.52627%0.268SS..EExtended strand (participates in β ladder)trans-158.3135.5-177.7-177.6177.9178.8-1740110.3V448K439-V448 PolarHBondContact N-O 2.75Å; K439-V448 PolarHBondContact O-N 3.43Å
440F92.7Very high92.6Very high17 Ų1751.9 Ų51.98%0.07527%0.27CS..EExtended strand (participates in β ladder)trans-102.5133.8159.5174.7-129.4000109.1I408 I414 P418 E442 I447I408-F440 HydrophobicContact CD1-CE2 4.34Å; I414-F440 HydrophobicContact CB-CE1 4.07Å; I414-F440 HydrophobicContact CB-CE2 4.3Å; I414-F440 HydrophobicContact CB-CZ 3.63Å; I414-F440 HydrophobicContact CD1-CE2 4.46Å; I414-F440 HydrophobicContact CG2-CD1 4.31Å; I414-F440 HydrophobicContact CG2-CE1 3.62Å; I414-F440 HydrophobicContact CG2-CE2 4.31Å; I414-F440 HydrophobicContact CG2-CZ 3.65Å; P418-F440 HydrophobicContact CG-CG 4.44Å; F440-E442 HydrophobicContact CD1-CG 4.01Å; F440-E442 HydrophobicContact CE1-CB 4.44Å; F440-E442 HydrophobicContact CE1-CG 3.38Å; F440-E442 HydrophobicContact CZ-CG 3.87Å; F440-I447 HydrophobicContact CD2-CG1 3.7Å; F440-I447 HydrophobicContact CE2-CG1 4.34Å
441N91Very high92.4Very high33 Ų3352 Ų5218%0.17627%0.271CS..EExtended strand (participates in β ladder)trans-115.6106.5173.2-171.22.2000108.9D443 D444 N445 T446N441-D443 PolarHBondContact OD1-N 3.45Å; N441-D444 HydrophobicContact CB-CB 4.41Å; N441-D444 PolarHBondContact ND2-OD2 3.01Å; N441-N445 WeakPolarHBondContact O-CA 3.34Å; N441-N445 PolarHBondContact O-N 2.82Å; N441-T446 PolarHBondContact N-O 3.03Å; N441-T446 PolarHBondContact O-N 2.95Å
442E84.7Confident92.3Very high122 Ų12252.1 Ų52.157%0.5728%0.278SS*.THydrogen-bonded Turntrans-61.5-44.4179-70.2171.5-159.300111.9F440 D444 N445F440-E442 HydrophobicContact CD1-CG 4.01Å; F440-E442 HydrophobicContact CE1-CB 4.44Å; F440-E442 HydrophobicContact CE1-CG 3.38Å; F440-E442 HydrophobicContact CZ-CG 3.87Å; E442-D444 VanDerWaalsContact C-N 3.3Å; E442-D444 PolarHBondContact O-N 3.34Å; E442-N445 PolarHBondContact O-N 2.98Å; E442-N445 PolarHBondContact O-OD1 3.2Å; E442-N445 VanDerWaalsContact O-OD1 3.09Å
443D85Confident92.1Very high156 Ų15651.5 Ų51.583%0.83428%0.275SS*.THydrogen-bonded Turntrans-63-37.2-175.8-65.9-37.5000112.6N441N441-D443 PolarHBondContact OD1-N 3.45Å
444D85.8Confident92.1Very high77 Ų7751 Ų5141%0.41227%0.267SS..THydrogen-bonded Turntrans-95.1-7.7-179.2-73.9-38.5000113.1R407 N441 E442 T446R407-D444 PolarHBondContact NH1-O 2.78Å; N441-D444 HydrophobicContact CB-CB 4.41Å; N441-D444 PolarHBondContact ND2-OD2 3.01Å; E442-D444 VanDerWaalsContact C-N 3.3Å; E442-D444 PolarHBondContact O-N 3.34Å; D444-T446 VanDerWaalsContact C-N 3.25Å; D444-T446 HydrophobicContact CB-CG2 3.86Å; D444-T446 PolarHBondContact O-N 3.46Å
445N87.4Confident92.1Very high39 Ų3950.4 Ų50.421%0.20926%0.261CS..THydrogen-bonded Turntrans46.847.3-164.4-79.7-10.1000112.3R407 I408 N441 E442R407-N445 CarbonylContact C-O 3.51Å; R407-N445 WeakPolarHBondContact CA-O 3.25Å; I408-N445 HydrophobicContact CB-CB 4.43Å; I408-N445 PolarHBondContact N-O 3.49Å; N441-N445 WeakPolarHBondContact O-CA 3.34Å; N441-N445 PolarHBondContact O-N 2.82Å; E442-N445 PolarHBondContact O-N 2.98Å; E442-N445 PolarHBondContact O-OD1 3.2Å; E442-N445 VanDerWaalsContact O-OD1 3.09Å
446T91.7Very high92.1Very high7 Ų749.9 Ų49.94%0.04326%0.259CS..EExtended strand (participates in β ladder)trans-115.9133.2178.662.80000112.2I406 R407 N441 D444I406-T446 CarbonylContact O-C 3.57Å; I406-T446 VanDerWaalsContact O-CA 3.26Å; I406-T446 WeakPolarHBondContact O-CA 3.44Å; R407-T446 HydrophobicContact CB-CG2 4.07Å; R407-T446 HydrophobicContact CG-CG2 4.05Å; N441-T446 PolarHBondContact N-O 3.03Å; N441-T446 PolarHBondContact O-N 2.95Å; D444-T446 VanDerWaalsContact C-N 3.25Å; D444-T446 HydrophobicContact CB-CG2 3.86Å; D444-T446 PolarHBondContact O-N 3.46Å
447I93.8Very high92.1Very high0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-104.7131.7170.9-65.6166.2000108.4K405 I406 I408 I414 P418 L420 L437 F440 F449 I459K405-I447 CarbonylContact C-O 3.55Å; K405-I447 VanDerWaalsContact CA-O 3.29Å; K405-I447 WeakPolarHBondContact CA-O 3.49Å; I406-I447 HydrophobicContact CD1-CB 4.37Å; I406-I447 HydrophobicContact CG1-CB 3.88Å; I406-I447 PolarHBondContact N-O 3.47Å; I406-I447 PolarHBondContact O-N 3.06Å; I408-I447 HydrophobicContact CD1-CD1 3.24Å; I408-I447 HydrophobicContact CD1-CG1 3.69Å; I408-I447 HydrophobicContact CG1-CD1 3.95Å; I408-I447 HydrophobicContact CG1-CG1 4.28Å; I414-I447 HydrophobicContact CD1-CD1 4.25Å; P418-I447 HydrophobicContact CB-CD1 4.39Å; P418-I447 HydrophobicContact CG-CD1 3.58Å; P418-I447 HydrophobicContact CG-CG1 4Å; L420-I447 HydrophobicContact CD1-CG2 4.14Å; L420-I447 HydrophobicContact CD2-CG2 4.36Å; L437-I447 HydrophobicContact CD1-CG2 3.61Å; F440-I447 HydrophobicContact CD2-CG1 3.7Å; F440-I447 HydrophobicContact CE2-CG1 4.34Å; I447-F449 HydrophobicContact CG2-CD1 4.07Å; I447-I459 HydrophobicContact CD1-CD1 3.92Å; I447-I459 HydrophobicContact CD1-CG1 4.41Å; I447-I459 HydrophobicContact CD1-CG2 4.01Å
448V94.9Very high92.1Very high30 Ų3041.3 Ų41.318%0.18222%0.218CC..EExtended strand (participates in β ladder)trans-114.1123.7168.5-174.30000107.9V404 K405 I438 K439V404-V448 CarbonylContact O-C 3.42Å; V404-V448 WeakPolarHBondContact O-CA 3.25Å; K405-V448 HydrophobicContact CB-CG2 4.11Å; K405-V448 HydrophobicContact CD-CG2 4.16Å; K405-V448 HydrophobicContact CG-CG2 3.91Å; I438-V448 WeakPolarHBondContact CA-O 3.46Å; I438-V448 HydrophobicContact CB-CB 4.46Å; I438-V448 HydrophobicContact CB-CG1 4.21Å; I438-V448 WeakPolarHBondContact CB-O 3.4Å; I438-V448 HydrophobicContact CD1-CG1 4.08Å; I438-V448 HydrophobicContact CG2-CG1 4.5Å; I438-V448 PolarHBondContact N-O 2.84Å; K439-V448 PolarHBondContact N-O 2.75Å; K439-V448 PolarHBondContact O-N 3.43Å
449F95.7Very high92.1Very high5 Ų537.9 Ų37.92%0.02220%0.201CC..EExtended strand (participates in β ladder)trans-135.7156.2178.467.3-89.6000111.1Q403 V404 I406 L420 I435 Q436 I447 T451 I457Q403-F449 CarbonylContact C-O 3.53Å; Q403-F449 WeakPolarHBondContact CA-O 3.41Å; V404-F449 HydrophobicContact CB-CD1 4.17Å; V404-F449 HydrophobicContact CB-CD2 4.23Å; V404-F449 HydrophobicContact CB-CE1 3.69Å; V404-F449 HydrophobicContact CB-CE2 3.76Å; V404-F449 HydrophobicContact CB-CG 4.43Å; V404-F449 HydrophobicContact CB-CZ 3.48Å; V404-F449 VanDerWaalsContact CB-CZ 3.48Å; V404-F449 HydrophobicContact CG1-CE1 3.68Å; V404-F449 HydrophobicContact CG1-CE2 4.34Å; V404-F449 HydrophobicContact CG1-CZ 3.58Å; V404-F449 HydrophobicContact CG2-CE2 3.91Å; V404-F449 HydrophobicContact CG2-CZ 3.98Å; V404-F449 PolarHBondContact N-O 3.15Å; V404-F449 PolarHBondContact O-N 3.19Å; I406-F449 HydrophobicContact CD1-CE1 4.17Å; I406-F449 HydrophobicContact CG1-CE1 4.4Å; I406-F449 HydrophobicContact CG2-CE1 4.44Å; L420-F449 HydrophobicContact CD1-CB 4.03Å; L420-F449 HydrophobicContact CD2-CB 4.26Å; L420-F449 HydrophobicContact CD2-CD1 3.64Å; L420-F449 HydrophobicContact CD2-CD2 4.36Å; L420-F449 HydrophobicContact CD2-CE1 3.94Å; L420-F449 HydrophobicContact CD2-CG 3.85Å; L420-F449 HydrophobicContact CD2-CZ 4.41Å; I435-F449 HydrophobicContact CG2-CD2 3.83Å; I435-F449 HydrophobicContact CG2-CE2 4.43Å; I435-F449 HydrophobicContact CG2-CG 4.48Å; Q436-F449 CarbonylContact O-C 3.53Å; Q436-F449 VanDerWaalsContact O-CA 3.25Å; Q436-F449 WeakPolarHBondContact O-CA 3.31Å; Q436-F449 WeakPolarHBondContact O-CB 3.45Å; I447-F449 HydrophobicContact CG2-CD1 4.07Å; F449-T451 HydrophobicContact CE2-CG2 4.43Å; F449-I457 HydrophobicContact CE2-CD1 4.04Å; F449-I457 HydrophobicContact CZ-CD1 4.27Å
450S94.6Very high92.1Very high14 Ų1432.1 Ų32.110%0.09818%0.176CC..EExtended strand (participates in β ladder)trans-105.7137.1170.7-161.30000109.5P401 I402 I435 Q436P401-S450 WeakPolarHBondContact CB-OG 3.36Å; I402-S450 CarbonylContact O-C 3.56Å; I402-S450 WeakPolarHBondContact O-CA 3.22Å; I435-S450 WeakPolarHBondContact CA-O 3.36Å; Q436-S450 PolarHBondContact N-O 3.33Å; Q436-S450 PolarHBondContact O-N 3.04Å
451T94.4Very high92Very high3 Ų332.2 Ų32.22%0.01818%0.176CC..EExtended strand (participates in β ladder)trans-125.7133.2174.5-172.40000111.4F339 I402 V404 G434 F449 V453F339-T451 HydrophobicContact CD1-CG2 4.34Å; F339-T451 HydrophobicContact CE1-CG2 3.98Å; I402-T451 HydrophobicContact CB-CG2 4.2Å; I402-T451 PolarHBondContact N-O 3.3Å; I402-T451 PolarHBondContact O-N 2.87Å; V404-T451 HydrophobicContact CG2-CG2 4.26Å; G434-T451 CarbonylContact O-C 3.57Å; G434-T451 VanDerWaalsContact O-CA 3.31Å; G434-T451 WeakPolarHBondContact O-CA 3.24Å; G434-T451 PolarHBondContact O-OG1 3.35Å; F449-T451 HydrophobicContact CE2-CG2 4.43Å; T451-V453 PolarHBondContact OG1-N 2.9Å; T451-V453 PolarHBondContact OG1-O 2.87Å
452S93.4Very high92Very high45 Ų4532.9 Ų32.932%0.31518%0.18SC..SBendtrans-992.8172.161.40000113.4G434G434-S452 VanDerWaalsContact CA-OG 3.23Å; G434-S452 WeakPolarHBondContact CA-OG 3.29Å; G434-S452 PolarHBondContact O-N 2.95Å; G434-S452 PolarHBondContact O-OG 3.3Å
453V92.6Very high92Very high39 Ų3929 Ų2924%0.23616%0.161CC..SBendtrans-140.8153.4-171.6-700000110.3I435 T451I435-V453 HydrophobicContact CG1-CG2 4.32Å; T451-V453 PolarHBondContact OG1-N 2.9Å; T451-V453 PolarHBondContact OG1-O 2.87Å
454F92.9Very high92.2Very high47 Ų4722.2 Ų22.221%0.20612%0.124CC..  trans-108150.5174.8-70.1-80.9000110.5F224 F339 L341 Y370 I402F224-F454 HydrophobicContact CD1-CE1 4.13Å; F224-F454 AromaticContact CE1-CE1 3.82Å; F224-F454 HydrophobicContact CE1-CE1 3.82Å; F224-F454 AromaticContact CE1-CZ 3.96Å; F224-F454 HydrophobicContact CE1-CZ 3.96Å; F339-F454 AromaticContact CD1-CD1 3.73Å; F339-F454 HydrophobicContact CD1-CD1 3.73Å; F339-F454 HydrophobicContact CD1-CE1 4Å; F339-F454 AromaticContact CE1-CD1 3.71Å; F339-F454 HydrophobicContact CE1-CD1 3.71Å; F339-F454 AromaticContact CE1-CE1 3.48Å; F339-F454 HydrophobicContact CE1-CE1 3.48Å; F339-F454 VanDerWaalsContact CE1-CE1 3.48Å; F339-F454 HydrophobicContact CZ-CE1 4.06Å; L341-F454 HydrophobicContact CB-CD1 3.82Å; L341-F454 HydrophobicContact CB-CD2 3.81Å; L341-F454 HydrophobicContact CB-CE1 3.74Å; L341-F454 HydrophobicContact CB-CE2 3.73Å; L341-F454 HydrophobicContact CB-CG 3.84Å; L341-F454 HydrophobicContact CB-CZ 3.66Å; L341-F454 HydrophobicContact CD1-CZ 4.24Å; L341-F454 HydrophobicContact CD2-CD2 4.39Å; L341-F454 HydrophobicContact CD2-CE2 3.68Å; L341-F454 HydrophobicContact CD2-CZ 3.82Å; L341-F454 HydrophobicContact CG-CE2 4.27Å; L341-F454 HydrophobicContact CG-CZ 4.11Å; Y370-F454 AromaticContact CD1-CE2 3.88Å; Y370-F454 HydrophobicContact CD1-CE2 3.88Å; Y370-F454 HydrophobicContact CG-CE2 4.17Å; I402-F454 HydrophobicContact CD1-CE1 3.86Å; I402-F454 HydrophobicContact CD1-CE2 4.11Å; I402-F454 HydrophobicContact CD1-CZ 3.26Å
455G92.4Very high92.2Very high14 Ų1419.8 Ų19.814%0.14411%0.11CC..EExtended strand (participates in β ladder)trans153.5-162.5177.200000112.7F339F339-G455 CarbonylContact C-O 3.58Å; F339-G455 PolarHBondContact N-O 2.72Å; F339-G455 PolarHBondContact O-N 2.78Å; F339-G455 VanDerWaalsContact O-O 3.08Å
456T93.8Very high92.1Very high9 Ų918.9 Ų18.96%0.05511%0.106CC..EExtended strand (participates in β ladder)trans-82.3120.9177.7-610000109.9Y234 V336 I337 R422 W423 W430Y234-T456 HydrophobicContact CD2-CG2 4.03Å; Y234-T456 HydrophobicContact CE1-CG2 4.49Å; Y234-T456 HydrophobicContact CE2-CG2 3.65Å; Y234-T456 PolarHBondContact OH-OG1 3.3Å; V336-T456 HydrophobicContact CG1-CG2 3Å; I337-T456 CarbonylContact O-C 3.59Å; R422-T456 CarbonylContact C-O 3.55Å; R422-T456 WeakPolarHBondContact CA-O 3.25Å; W423-T456 HydrophobicContact CB-CG2 4.4Å; W423-T456 PolarHBondContact N-O 2.92Å; W430-T456 HydrophobicContact CH2-CG2 4Å; W430-T456 HydrophobicContact CZ3-CG2 4.33Å
457I95.2Very high91.8Very high4 Ų419.8 Ų19.82%0.02111%0.109CC..EExtended strand (participates in β ladder)trans-112.9142-177.2-56.6176.3000109.1I337 F339 L420 A421 I435 F449I337-I457 PolarHBondContact N-O 2.87Å; I337-I457 PolarHBondContact O-N 3.09Å; F339-I457 HydrophobicContact CB-CD1 4.07Å; F339-I457 HydrophobicContact CD1-CD1 4.42Å; L420-I457 HydrophobicContact CD2-CG2 4.48Å; A421-I457 WeakPolarHBondContact O-CA 3.31Å; I435-I457 HydrophobicContact CD1-CD1 3.93Å; I435-I457 HydrophobicContact CD1-CG1 3.83Å; I435-I457 HydrophobicContact CD1-CG2 4.01Å; F449-I457 HydrophobicContact CE2-CD1 4.04Å; F449-I457 HydrophobicContact CZ-CD1 4.27Å
458A94.8Very high91.5Very high1 Ų122.8 Ų22.81%0.00813%0.129CC..EExtended strand (participates in β ladder)trans-132.6155.3170.600000110.5V332 V336 A421 W430 F460V332-A458 HydrophobicContact CG1-CB 3.94Å; V332-A458 HydrophobicContact CG2-CB 3.97Å; V336-A458 HydrophobicContact CG2-CB 4.42Å; A421-A458 PolarHBondContact N-O 3.01Å; A421-A458 VanDerWaalsContact N-O 3.17Å; A421-A458 PolarHBondContact O-N 3.43Å; W430-A458 HydrophobicContact CE3-CB 4.17Å; W430-A458 HydrophobicContact CH2-CB 3.57Å; W430-A458 HydrophobicContact CZ2-CB 4.12Å; W430-A458 HydrophobicContact CZ3-CB 3.59Å; A458-F460 HydrophobicContact CB-CD2 4.33Å; A458-F460 HydrophobicContact CB-CE2 3.54Å; A458-F460 HydrophobicContact CB-CZ 3.87Å
459I93.7Very high91.4Very high13 Ų1321.6 Ų21.67%0.06712%0.121CC..EExtended strand (participates in β ladder)trans-100.1135.4174.3-51.4165.3000106.6V332 I333 I406 I414 P418 L419 L420 I447V332-I459 CarbonylContact C-O 3.54Å; V332-I459 WeakPolarHBondContact CA-O 3.45Å; I333-I459 HydrophobicContact CD1-CB 4.39Å; I333-I459 HydrophobicContact CD1-CG2 3.7Å; I333-I459 HydrophobicContact CG1-CB 3.86Å; I333-I459 HydrophobicContact CG1-CG2 3.7Å; I333-I459 WeakPolarHBondContact CG1-O 3.13Å; I333-I459 PolarHBondContact N-O 3.04Å; I406-I459 HydrophobicContact CD1-CD1 3.66Å; I406-I459 HydrophobicContact CD1-CG1 4.37Å; I414-I459 HydrophobicContact CD1-CG2 4.42Å; P418-I459 HydrophobicContact CB-CG2 3.62Å; P418-I459 HydrophobicContact CG-CG2 4.33Å; L419-I459 CarbonylContact O-C 3.55Å; L420-I459 HydrophobicContact CD2-CG1 4.43Å; I447-I459 HydrophobicContact CD1-CD1 3.92Å; I447-I459 HydrophobicContact CD1-CG1 4.41Å; I447-I459 HydrophobicContact CD1-CG2 4.01Å
460F94.2Very high91.2Very high0 Ų026.6 Ų26.60%015%0.145CC..EExtended strand (participates in β ladder)trans-122.4144.9-174.8-68.5-94.7000111.1I325 L327 H331 V332 L419 A421 W430 A458I325-F460 HydrophobicContact CD1-CB 4.15Å; I325-F460 HydrophobicContact CD1-CD1 4.15Å; I325-F460 HydrophobicContact CD1-CD2 3.48Å; I325-F460 VanDerWaalsContact CD1-CD2 3.48Å; I325-F460 HydrophobicContact CD1-CE1 4.45Å; I325-F460 HydrophobicContact CD1-CE2 3.85Å; I325-F460 HydrophobicContact CD1-CG 3.66Å; I325-F460 HydrophobicContact CD1-CZ 4.32Å; I325-F460 HydrophobicContact CG2-CD1 3.91Å; I325-F460 HydrophobicContact CG2-CE1 4.15Å; I325-F460 HydrophobicContact CG2-CG 4.34Å; L327-F460 HydrophobicContact CD2-CD1 4.4Å; L327-F460 HydrophobicContact CD2-CE1 3.68Å; H331-F460 VanDerWaalsContact O-CA 3.3Å; H331-F460 WeakPolarHBondContact O-CA 3.38Å; V332-F460 HydrophobicContact CB-CE1 4.48Å; V332-F460 HydrophobicContact CG2-CD1 4.11Å; V332-F460 HydrophobicContact CG2-CE1 3.39Å; V332-F460 HydrophobicContact CG2-CE2 4.42Å; V332-F460 HydrophobicContact CG2-CZ 3.57Å; L419-F460 HydrophobicContact CB-CB 4.02Å; L419-F460 PolarHBondContact N-O 2.76Å; L419-F460 PolarHBondContact O-N 2.61Å; A421-F460 HydrophobicContact CB-CD2 4.16Å; A421-F460 HydrophobicContact CB-CE2 3.77Å; W430-F460 HydrophobicContact CB-CE2 4.4Å; W430-F460 HydrophobicContact CB-CZ 3.89Å; W430-F460 AromaticContact CD1-CZ 3.81Å; W430-F460 HydrophobicContact CD2-CE2 4.15Å; W430-F460 AromaticContact CD2-CZ 3.54Å; W430-F460 HydrophobicContact CD2-CZ 3.54Å; W430-F460 AromaticContact CE2-CZ 3.88Å; W430-F460 HydrophobicContact CE3-CE2 4.11Å; W430-F460 AromaticContact CE3-CZ 3.96Å; W430-F460 HydrophobicContact CE3-CZ 3.96Å; W430-F460 HydrophobicContact CG-CE1 4.28Å; W430-F460 HydrophobicContact CG-CE2 4.29Å; W430-F460 AromaticContact CG-CZ 3.5Å; W430-F460 HydrophobicContact CG-CZ 3.5Å; W430-F460 VanDerWaalsContact CG-CZ 3.5Å; W430-F460 AromaticContact NE1-CZ 4Å; A458-F460 HydrophobicContact CB-CD2 4.33Å; A458-F460 HydrophobicContact CB-CE2 3.54Å; A458-F460 HydrophobicContact CB-CZ 3.87Å
461Q91.1Very high91.2Very high19 Ų1929.1 Ų29.19%0.08915%0.153CC..EExtended strand (participates in β ladder)trans-133150.7172.5-173.5170.97.600109.1Y330 H331 I333 I413 Y463Y330-Q461 WeakPolarHBondContact CA-O 3.23Å; H331-Q461 PolarHBondContact N-O 3.11Å; H331-Q461 PolarHBondContact ND1-O 3.16Å; H331-Q461 VanDerWaalsContact ND1-O 3.11Å; H331-Q461 PolarHBondContact O-N 3.14Å; H331-Q461 VanDerWaalsContact O-N 3.11Å; I333-Q461 HydrophobicContact CD1-CB 4.15Å; I333-Q461 HydrophobicContact CG2-CB 3.98Å; I413-Q461 PolarHBondContact O-OE1 3.14Å; Q461-Y463 PolarHBondContact O-N 3.41Å
462D89.8Confident91.3Very high47 Ų4729.2 Ų29.225%0.25115%0.153SC..EExtended strand (participates in β ladder)trans-53.4127.4173.1-175.4-12.6000109.7Y330 H331 H464 I465Y330-D462 HydrophobicContact CE1-CB 4.41Å; H331-D462 PolarHBondContact CE1-O 3.02Å; D462-H464 PolarHBondContact O-N 2.86Å; D462-H464 WeakPolarHBondContact OD1-CA 3.15Å; D462-H464 WeakPolarHBondContact OD1-CB 3.41Å; D462-H464 PolarHBondContact OD1-N 2.93Å; D462-H464 IonicContact OD1-ND1 2.93Å; D462-I465 HydrophobicContact CB-CB 4.14Å; D462-I465 HydrophobicContact CB-CD1 4.44Å
463Y85.7Confident91.4Very high41 Ų4128.4 Ų28.416%0.16114%0.144CC..THydrogen-bonded Turntrans-64.7-30.5176.9-167-87.3000112.1D329 H331 Q461 K659 F661 G663D329-Y463 WeakPolarHBondContact O-CB 3.38Å; D329-Y463 PolarHBondContact O-N 2.85Å; H331-Y463 HydrophobicContact CB-CD2 3.99Å; H331-Y463 WeakPolarHBondContact ND1-CA 3.32Å; H331-Y463 AromaticContact ND1-CD2 3.98Å; Q461-Y463 PolarHBondContact O-N 3.41Å; Y463-K659 HydrophobicContact CE2-CB 4.45Å; Y463-K659 HydrophobicContact CE2-CD 3.9Å; Y463-F661 VanDerWaalsContact CE1-O 3.27Å; Y463-F661 WeakPolarHBondContact CE1-O 3.5Å; Y463-F661 VanDerWaalsContact CZ-O 3.28Å; Y463-F661 PolarHBondContact OH-O 3.32Å; Y463-G663 PolarHBondContact OH-N 3.49Å
464H87.5Confident91.7Very high13 Ų1326.6 Ų26.66%0.0613%0.133CC..THydrogen-bonded Turntrans-103.612.7-172.6-56.3119.7000113G328 D462 N466 M467 S666 I670G328-H464 PolarHBondContact O-CE1 3.15Å; D462-H464 PolarHBondContact O-N 2.86Å; D462-H464 WeakPolarHBondContact OD1-CA 3.15Å; D462-H464 WeakPolarHBondContact OD1-CB 3.41Å; D462-H464 PolarHBondContact OD1-N 2.93Å; D462-H464 IonicContact OD1-ND1 2.93Å; H464-N466 PolarHBondContact O-N 3.03Å; H464-M467 HydrophobicContact CB-CB 4.47Å; H464-M467 HydrophobicContact CB-SD 4.42Å; H464-M467 WeakPolarHBondContact O-CA 3.09Å; H464-M467 WeakPolarHBondContact O-CB 3.33Å; H464-M467 PolarHBondContact O-N 3.2Å; H464-S666 PolarHBondContact NE2-OG 2.97Å; H464-I670 HydrophobicContact CB-CD1 3.61Å; H464-I670 HydrophobicContact CB-CG1 3.65Å; H464-I670 WeakPolarHBondContact CD2-CD1 3.49Å; H464-I670 VanDerWaalsContact CG-CG1 3.46Å
465I86.4Confident91.8Very high25 Ų2525 Ų2513%0.12813%0.125CC..THydrogen-bonded Turntrans-53.6-25.2-173.4-167.558000115.5E416 D462 C599E416-I465 HydrophobicContact CG-CD1 3.84Å; E416-I465 WeakPolarHBondContact OE1-CD1 3.5Å; D462-I465 HydrophobicContact CB-CB 4.14Å; D462-I465 HydrophobicContact CB-CD1 4.44Å; I465-C599 PolarHBondContact O-SG 3.19Å
466N85.1Confident91.9Very high21 Ų2124.3 Ų24.311%0.11212%0.119CC..THydrogen-bonded Turntrans-102.66.3179.2-79.4-56.2000113.7H464 G597 G598 C599 I600H464-N466 PolarHBondContact O-N 3.03Å; N466-G597 VanDerWaalsContact O-CA 3.23Å; N466-G597 WeakPolarHBondContact O-CA 3.47Å; N466-G598 PolarHBondContact O-N 3.27Å; N466-C599 WeakPolarHBondContact OD1-CA 3.25Å; N466-C599 VanDerWaalsContact OD1-CB 3.23Å; N466-C599 WeakPolarHBondContact OD1-CB 3.41Å; N466-C599 PolarHBondContact OD1-N 3.1Å; N466-I600 VanDerWaalsContact ND2-CD1 3.28Å; N466-I600 WeakPolarHBondContact ND2-CD1 3.27Å; N466-I600 WeakPolarHBondContact ND2-CG1 3.35Å; N466-I600 PolarHBondContact OD1-N 2.79Å; N466-I600 VanDerWaalsContact OD1-N 3.14Å
467M85.1Confident91.9Very high25 Ų2524 Ų2412%0.12312%0.117CC..  trans-112.8147.8-173.1-62.5167.6-168.300110.7H464 F469 M662 I670H464-M467 HydrophobicContact CB-CB 4.47Å; H464-M467 HydrophobicContact CB-SD 4.42Å; H464-M467 WeakPolarHBondContact O-CA 3.09Å; H464-M467 WeakPolarHBondContact O-CB 3.33Å; H464-M467 PolarHBondContact O-N 3.2Å; M467-F469 HydrophobicContact CE-CZ 4.06Å; M467-F469 HydrophobicContact CG-CE1 4.23Å; M467-F469 HydrophobicContact CG-CZ 4.29Å; M467-M662 HydrophobicContact CE-CE 3.86Å; M467-M662 HydrophobicContact CE-SD 3.14Å; M467-M662 WeakPolarHBondContact CE-SD 3.45Å; M467-M662 HydrophobicContact SD-CE 3.28Å; M467-M662 WeakPolarHBondContact SD-CE 3.26Å; M467-M662 HydrophobicContact SD-SD 3.38Å; M467-I670 HydrophobicContact CB-CD1 3.67Å; M467-I670 HydrophobicContact CB-CG2 4.4Å; M467-I670 HydrophobicContact CG-CD1 4.25Å; M467-I670 HydrophobicContact SD-CD1 3.58Å; M467-I670 VanDerWaalsContact SD-CD1 3.58Å
468P88.5Confident91.5Very high64 Ų6424.8 Ų24.842%0.41612%0.122SC..SBendcis-62.5151-9.229.1-35.6000112.1F805P468-F805 CarbonylContact C-O 3.54Å; P468-F805 WeakPolarHBondContact CA-O 3.21Å
469F91.5Very high91Very high4 Ų426.3 Ų26.32%0.01813%0.13CC..  trans-63.5138173.1-57.7-56.2000109M467 I595 I596 L802 F805 S806M467-F469 HydrophobicContact CE-CZ 4.06Å; M467-F469 HydrophobicContact CG-CE1 4.23Å; M467-F469 HydrophobicContact CG-CZ 4.29Å; F469-I595 HydrophobicContact CB-CG2 4.36Å; F469-I595 HydrophobicContact CD1-CG2 3.38Å; F469-I595 HydrophobicContact CD2-CG2 4.32Å; F469-I595 HydrophobicContact CE1-CG2 3.61Å; F469-I595 HydrophobicContact CG-CG2 3.77Å; F469-I595 HydrophobicContact CZ-CG2 4.19Å; F469-I596 CarbonylContact C-O 3.59Å; F469-L802 HydrophobicContact CD2-CD2 3.91Å; F469-L802 HydrophobicContact CE2-CD2 3.89Å; F469-F805 HydrophobicContact CD2-CB 4.07Å; F469-F805 VanDerWaalsContact CD2-O 3.25Å; F469-F805 WeakPolarHBondContact CD2-O 3.31Å; F469-F805 HydrophobicContact CE2-CB 4.1Å; F469-F805 PolarHBondContact N-O 3.07Å; F469-S806 VanDerWaalsContact O-CA 3.32Å; F469-S806 WeakPolarHBondContact O-CA 3.32Å
470Q92.3Very high90.2Very high111 Ų11127.7 Ų27.752%0.51913%0.134SC..SBendtrans-84.4-28.8179.7-62.8-178.5-6.400112.1I596Q470-I596 HydrophobicContact CB-CG2 4.49Å; Q470-I596 PolarHBondContact N-O 3.15Å
471Y94.1Very high89.1Confident67 Ų6733.4 Ų33.426%0.26316%0.156SC..EExtended strand (participates in β ladder)trans-161.8152.2-179.1176-95.5000110.2E473 I596 W698Y471-E473 HydrophobicContact CE1-CB 3.75Å; Y471-E473 PolarHBondContact OH-OE2 3.36Å; Y471-I596 HydrophobicContact CD1-CD1 3.73Å; Y471-I596 HydrophobicContact CD1-CG1 4.13Å; Y471-I596 HydrophobicContact CG-CD1 4.34Å; Y471-I596 PolarHBondContact N-O 2.98Å; Y471-I596 PolarHBondContact O-N 3.37Å; Y471-W698 HydrophobicContact CD2-CB 4.19Å; Y471-W698 HydrophobicContact CD2-CE3 4.3Å
472W96.3Very high87.4Confident4 Ų436.9 Ų36.92%0.01518%0.175CC..EExtended strand (participates in β ladder)trans-150.1153.516759.8-92.6000111T594 I595 M687 F696 G697 W698 V713 L802 L803 S806W472-T594 CarbonylContact C-O 3.56Å; W472-T594 WeakPolarHBondContact CA-O 3.33Å; W472-I595 HydrophobicContact CB-CG1 4.44Å; W472-M687 HydrophobicContact CH2-CE 3.76Å; W472-M687 HydrophobicContact CZ3-CE 3.72Å; W472-F696 HydrophobicContact CH2-CB 4.4Å; W472-F696 HydrophobicContact CZ3-CB 4.02Å; W472-G697 VanDerWaalsContact CH2-C 3.5Å; W472-G697 WeakPolarHBondContact CH2-O 3.4Å; W472-G697 WeakPolarHBondContact O-CA 3.34Å; W472-W698 HydrophobicContact CD2-CB 4.3Å; W472-W698 HydrophobicContact CG-CB 4.2Å; W472-W698 AromaticContact NE1-CD1 3.74Å; W472-W698 PolarHBondContact O-N 3.43Å; W472-V713 HydrophobicContact CH2-CG2 3.91Å; W472-V713 HydrophobicContact CZ2-CG2 4.47Å; W472-L802 HydrophobicContact CB-CD1 4.22Å; W472-L802 HydrophobicContact CB-CD2 4.19Å; W472-L802 HydrophobicContact CD2-CB 3.97Å; W472-L802 HydrophobicContact CD2-CD1 3.94Å; W472-L802 HydrophobicContact CD2-CG 4.46Å; W472-L802 HydrophobicContact CE3-CD1 3.98Å; W472-L802 HydrophobicContact CG-CB 4.02Å; W472-L802 HydrophobicContact CG-CD1 4.04Å; W472-L802 HydrophobicContact CG-CD2 4.21Å; W472-L802 HydrophobicContact CG-CG 4.31Å; W472-L803 HydrophobicContact CH2-CD2 4.15Å; W472-L803 HydrophobicContact CZ2-CD2 3.78Å; W472-S806 PolarHBondContact NE1-OG 3.48Å
473E96.6Very high85.7Confident28 Ų2842 Ų4213%0.13120%0.202CC..EExtended strand (participates in β ladder)trans-146.5127.8178.4-176.4-174.9154.600109.8Y471 R475 L593 T594 F696 W730Y471-E473 HydrophobicContact CE1-CB 3.75Å; Y471-E473 PolarHBondContact OH-OE2 3.36Å; E473-R475 HydrophobicContact CG-CB 4.38Å; E473-R475 WeakPolarHBondContact OE1-CD 3.46Å; E473-R475 IonicContact OE1-NE 3.76Å; E473-L593 CarbonylContact O-C 3.51Å; E473-L593 WeakPolarHBondContact O-CA 3.32Å; E473-T594 PolarHBondContact N-O 2.95Å; E473-T594 PolarHBondContact O-N 3.41Å; E473-F696 CarbonylContact C-O 3.54Å; E473-F696 WeakPolarHBondContact CA-O 3.36Å; E473-W730 HydrophobicContact CG-CH2 4.29Å; E473-W730 HydrophobicContact CG-CZ2 4.33Å
474L97.6Very high83.8Confident1 Ų144.3 Ų44.31%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-108.5110.3169.517768.8000108.1C591 L593 M687 A695 F696 V793 L797L474-C591 HydrophobicContact CD1-CB 4.32Å; L474-L593 HydrophobicContact CB-CD1 4.01Å; L474-L593 HydrophobicContact CD1-CB 4.03Å; L474-L593 HydrophobicContact CD1-CD1 4.2Å; L474-M687 HydrophobicContact CD2-CE 4.46Å; L474-A695 CarbonylContact O-C 3.58Å; L474-A695 WeakPolarHBondContact O-CA 3.38Å; L474-F696 HydrophobicContact CB-CB 4.44Å; L474-F696 HydrophobicContact CD2-CD2 4.37Å; L474-F696 PolarHBondContact N-O 2.92Å; L474-F696 PolarHBondContact O-N 2.88Å; L474-V793 HydrophobicContact CD2-CG1 4.14Å; L474-L797 HydrophobicContact CD2-CD1 4.25Å; L474-L797 HydrophobicContact CD2-CD2 4.47Å
475R95.4Very high81.6Confident13 Ų1350.1 Ų50.15%0.04925%0.249CC..EExtended strand (participates in β ladder)trans-121.7129.2-175.8-175.117461.186.9-8112.2E473 C591 L592 A695 E722 D723 V725E473-R475 HydrophobicContact CG-CB 4.38Å; E473-R475 WeakPolarHBondContact OE1-CD 3.46Å; E473-R475 IonicContact OE1-NE 3.76Å; R475-C591 CarbonylContact O-C 3.43Å; R475-C591 WeakPolarHBondContact O-CA 3.37Å; R475-C591 WeakPolarHBondContact O-CB 3.01Å; R475-L592 PolarHBondContact N-O 2.95Å; R475-L592 PolarHBondContact O-N 3.4Å; R475-A695 HydrophobicContact CB-CB 4.39Å; R475-A695 HydrophobicContact CG-CB 4.24Å; R475-E722 PolarHBondContact NH1-O 2.96Å; R475-E722 PolarHBondContact NH2-O 3.32Å; R475-D723 PolarHBondContact NH1-O 3.08Å; R475-V725 HydrophobicContact CG-CG2 4.28Å
476P95.3Very high79.7Confident1 Ų155 Ų551%0.00628%0.275CS..EExtended strand (participates in β ladder)trans-61.6148.4171.220.2-29.9000111.9S691 P692 M694 H718P476-S691 VanDerWaalsContact CB-O 3.29Å; P476-S691 WeakPolarHBondContact CB-O 3Å; P476-P692 VanDerWaalsContact CB-O 3.3Å; P476-P692 WeakPolarHBondContact CB-O 3.47Å; P476-M694 WeakPolarHBondContact CD-O 3.3Å; P476-H718 HydrophobicContact CG-CB 3.92Å; P476-H718 WeakPolarHBondContact CG-O 3.44Å
477L92.9Very high77.7Confident3 Ų357.6 Ų57.62%0.01629%0.292CS..EExtended strand (participates in β ladder)trans-115.5157.6167.8-68.2172.1000108.8I492 Q590 L592L477-I492 HydrophobicContact CD1-CD1 3.75Å; L477-Q590 HydrophobicContact CB-CB 4.23Å; L477-Q590 HydrophobicContact CB-CG 3.68Å; L477-Q590 PolarHBondContact N-O 2.9Å; L477-L592 HydrophobicContact CD1-CB 4.26Å; L477-L592 HydrophobicContact CG-CB 4.44Å
478P88.4Confident75.9Confident19 Ų1956.9 Ų56.912%0.12329%0.289CS..EExtended strand (participates in β ladder)trans-53.2150.2178.4-29.638.5000112.1R480 Q590 D720 H721 E722P478-R480 PolarHBondContact O-N 3.41Å; P478-Q590 VanDerWaalsContact O-CD 3.29Å; P478-Q590 WeakPolarHBondContact O-CG 3.35Å; P478-Q590 PolarHBondContact O-NE2 3.03Å; P478-D720 WeakPolarHBondContact CB-OD1 3.29Å; P478-H721 WeakPolarHBondContact CD-O 3.26Å; P478-E722 HydrophobicContact CG-CG 3.53Å
479L84Confident73.7Confident34 Ų3455.9 Ų55.918%0.17828%0.281CS..EExtended strand (participates in β ladder)trans-57.4130.5177.6-73.2174000111.3R481 T587 N589 W781L479-R481 PolarHBondContact O-N 3.49Å; L479-R481 VanDerWaalsContact O-N 3.14Å; L479-T587 HydrophobicContact CB-CG2 3.67Å; L479-T587 HydrophobicContact CD1-CG2 4Å; L479-T587 HydrophobicContact CD2-CG2 4.28Å; L479-T587 HydrophobicContact CG-CG2 4.21Å; L479-N589 HydrophobicContact CD2-CB 4.48Å; L479-N589 WeakPolarHBondContact CD2-ND2 3.41Å; L479-W781 HydrophobicContact CD1-CD2 4.23Å; L479-W781 HydrophobicContact CD1-CZ2 3.91Å; L479-W781 HydrophobicContact CG-CD2 4.37Å; L479-W781 HydrophobicContact CG-CH2 4.12Å; L479-W781 HydrophobicContact CG-CZ2 3.96Å; L479-W781 HydrophobicContact CG-CZ3 4.41Å
480R76.6Confident71.3Confident41 Ų4162.7 Ų62.716%0.15531%0.313CS..EExtended strand (participates in β ladder)trans-70.1114.4178.4-167.4109179.4169.70.2109.3P478 T587 T588 L607P478-R480 PolarHBondContact O-N 3.41Å; R480-T587 WeakPolarHBondContact O-CA 3.3Å; R480-T588 HydrophobicContact CB-CG2 4.42Å; R480-T588 PolarHBondContact N-O 2.86Å; R480-L607 HydrophobicContact CB-CD1 3.75Å; R480-L607 HydrophobicContact CG-CD1 4.21Å
481R71.2Confident69.2Low120 Ų12058.6 Ų58.645%0.45330%0.297SS..  trans-114.8133174.2-58.4177.5-161.9163.39.7108.7L479 D483 L484 T587L479-R481 PolarHBondContact O-N 3.49Å; L479-R481 VanDerWaalsContact O-N 3.14Å; R481-D483 PolarHBondContact O-N 3.23Å; R481-L484 PolarHBondContact O-N 3.46Å; R481-L484 VanDerWaalsContact O-N 3.09Å; R481-T587 HydrophobicContact CG-CG2 4.31Å
482N56.1Low66.9Low92 Ų9255.9 Ų55.949%0.49229%0.287SS..THydrogen-bonded Turntrans-60.7-15.4-178.2-81-3.7000114.1L484N482-L484 PolarHBondContact O-N 3Å
483D53Low64.2Low154 Ų15458.3 Ų58.382%0.82430%0.298SS*.THydrogen-bonded Turntrans-71.5-17176.9-59.5-30.3000113.1R481 N485R481-D483 PolarHBondContact O-N 3.23Å; D483-N485 PolarHBondContact O-N 3.29Å
484L46.5Very low61.4Low91 Ų9159.9 Ų59.948%0.47631%0.312SS..  trans-93.881.2172.2-95.776.8000110.6R481 N482 N486R481-L484 PolarHBondContact O-N 3.46Å; R481-L484 VanDerWaalsContact O-N 3.09Å; N482-L484 PolarHBondContact O-N 3Å; L484-N486 PolarHBondContact O-N 3.42Å
485N41.6Very low58.4Low135 Ų13563.7 Ų63.772%0.72233%0.332SS*.  trans-73.6112.7167.6-75.4-29.2000109.8D483D483-N485 PolarHBondContact O-N 3.29Å
486N45.6Very low55.2Low128 Ų12868.7 Ų68.768%0.68436%0.359SS*.SBendtrans86.3-11.6160.5-59.7-6.8000121.4L484L484-N486 PolarHBondContact O-N 3.42Å
487T42.5Very low51.8Low74 Ų7473.7 Ų73.745%0.45439%0.39SS..Hα-helixtrans-73.2-44.6-177.3-38.10000113.4V489 Q490 S491T487-V489 VanDerWaalsContact C-N 3.29Å; T487-V489 PolarHBondContact O-N 2.59Å; T487-V489 VanDerWaalsContact O-N 3.16Å; T487-Q490 PolarHBondContact O-N 3.41Å; T487-S491 PolarHBondContact O-N 3.03Å; T487-S491 PolarHBondContact O-OG 3.34Å
488T47Very low48.6Very low10 Ų1081 Ų816%0.06143%0.429CS..Hα-helixtrans-61.9-31.3-170.7-49.80000113.8I492 E722T488-I492 HydrophobicContact CG2-CD1 3.72Å; T488-I492 HydrophobicContact CG2-CG1 4.44Å; T488-I492 WeakPolarHBondContact O-CB 3.13Å; T488-I492 WeakPolarHBondContact O-CD1 3.44Å; T488-I492 WeakPolarHBondContact O-CG1 3.43Å; T488-I492 PolarHBondContact O-N 3.5Å; T488-E722 PolarHBondContact OG1-OE1 3.21Å
489V44.3Very low45.5Very low44 Ų4486.7 Ų86.727%0.26746%0.463SS..Hα-helixtrans-74.6-36.5176.5-178.40000110.8T487 H493T487-V489 VanDerWaalsContact C-N 3.29Å; T487-V489 PolarHBondContact O-N 2.59Å; T487-V489 VanDerWaalsContact O-N 3.16Å; V489-H493 WeakPolarHBondContact CG1-NE2 3.49Å; V489-H493 PolarHBondContact O-CD2 2.79Å; V489-H493 PolarHBondContact O-N 2.95Å
490Q41.2Very low42.5Very low146 Ų14690.7 Ų90.768%0.68249%0.489SS*.Hα-helixtrans-71.2-39.8177.8-72-175-16.300112.5T487 H493 S494T487-Q490 PolarHBondContact O-N 3.41Å; Q490-H493 PolarHBondContact O-N 3.15Å; Q490-S494 PolarHBondContact O-N 3.36Å; Q490-S494 PolarHBondContact O-OG 3.42Å
491S46.4Very low39.9Very low25 Ų2594.5 Ų94.518%0.17552%0.518CS..Hα-helixtrans-62.7-48.2176.3-50.80000111.6T487 H493 S494 E722T487-S491 PolarHBondContact O-N 3.03Å; T487-S491 PolarHBondContact O-OG 3.34Å; S491-H493 PolarHBondContact O-N 3.45Å; S491-H493 VanDerWaalsContact O-N 3.1Å; S491-S494 PolarHBondContact O-N 3.09Å; S491-S494 PolarHBondContact O-OG 3.26Å; S491-E722 WeakPolarHBondContact CB-OE2 3.33Å; S491-E722 PolarHBondContact OG-OE2 3.34Å; S491-E722 VanDerWaalsContact OG-OE2 3.06Å
492I45.8Very low37.5Very low11 Ų1196.6 Ų96.66%0.05654%0.538CS..Hα-helixtrans-61.2-25.7179.6-65167.5000112L477 T488 L614L477-I492 HydrophobicContact CD1-CD1 3.75Å; T488-I492 HydrophobicContact CG2-CD1 3.72Å; T488-I492 HydrophobicContact CG2-CG1 4.44Å; T488-I492 WeakPolarHBondContact O-CB 3.13Å; T488-I492 WeakPolarHBondContact O-CD1 3.44Å; T488-I492 WeakPolarHBondContact O-CG1 3.43Å; T488-I492 PolarHBondContact O-N 3.5Å; I492-L614 HydrophobicContact CG2-CD1 3.37Å
493H41.3Very low36Very low55 Ų5598.9 Ų98.926%0.25555%0.554SS.*Hα-helixtrans-85.7-16.2176.5-70.4-46.7000114.5V489 Q490 S491V489-H493 WeakPolarHBondContact CG1-NE2 3.49Å; V489-H493 PolarHBondContact O-CD2 2.79Å; V489-H493 PolarHBondContact O-N 2.95Å; Q490-H493 PolarHBondContact O-N 3.15Å; S491-H493 PolarHBondContact O-N 3.45Å; S491-H493 VanDerWaalsContact O-N 3.1Å
494S37.1Very low34.7Very low60 Ų60100.2 Ų100.242%0.4255%0.553SS.*Hα-helixtrans-99.9-9.5-170.955.50000116.5Q490 S491 I496 T497Q490-S494 PolarHBondContact O-N 3.36Å; Q490-S494 PolarHBondContact O-OG 3.42Å; S491-S494 PolarHBondContact O-N 3.09Å; S491-S494 PolarHBondContact O-OG 3.26Å; S494-I496 PolarHBondContact O-N 2.65Å; S494-T497 PolarHBondContact O-N 2.81Å
495D34.3Very low33.5Very low81 Ų81103.6 Ų103.643%0.43357%0.572SS.*THydrogen-bonded Turntrans-7527.3-165.3-68.2-17000116.8
496I27.8Very low32.5Very low118 Ų118102.6 Ų102.661%0.60558%0.575SS**THydrogen-bonded Turntrans-114-4.6166.5-62.1175.9000112.5S494S494-I496 PolarHBondContact O-N 2.65Å
497T25.5Very low31.3Very low107 Ų107102.7 Ų102.766%0.65658%0.58SS**SBendtrans-110.377.1173.563.10000111S494S494-T497 PolarHBondContact O-N 2.81Å
498N23.8Very low30.4Very low156 Ų156106 Ų10683%0.83459%0.594SS**  trans-169.239.8156.7-89.7-20.1000114.8
499T23.7Very low29.3Very low138 Ų138111.6 Ų111.685%0.84763%0.628SS**SBendtrans-106.553.1156.415.60000110.3
500T21.5Very low28.3Very low118 Ų118116.9 Ų116.972%0.72466%0.655SS**SBendtrans-155.4131.2157.1-230000111.2
501T21.2Very low27.4Very low122 Ų122118.9 Ų118.975%0.74867%0.665SS**  trans88.183.7161.571.30000118.6
502N22.2Very low26.4Very low163 Ų163126.3 Ų126.387%0.87270%0.696SS**  trans-154.558.3131.6-109.3-21.9000112.5
503V25Very low25.2Very low140 Ų140135 Ų13585%0.84874%0.737SS**  trans-125.7112.1159.4-176.90000108.9
504K23.7Very low24.4Very low182 Ų182136.9 Ų136.979%0.79176%0.756SS**  trans-64.6128.4176.6-70.6169.2176.21700110
505N21.9Very low23.8Very low163 Ų163141.3 Ų141.387%0.87277%0.774SS**  trans48.980.5148.8-60.2-7.7000117.5
506S21.7Very low23.2Very low114 Ų114142.8 Ų142.880%0.79779%0.787SS**  trans-144.5119.814250.50000110.6
507T20.6Very low22.9Very low129 Ų129144.5 Ų144.579%0.79180%0.795SS**  trans-63.7139.5178.5-13.70000111.6
508I23Very low22.7Very low144 Ų144146 Ų14674%0.73880%0.804SS**  trans106.5124.8147-57.6161.1000117.9
509T22.7Very low22.6Very low127 Ų127146.6 Ų146.678%0.77980%0.799SS**  trans76.5102.5158490000121.2E511T509-E511 PolarHBondContact O-N 3.34Å
510N23.4Very low22.5Very low156 Ų156145.1 Ų145.183%0.83479%0.794SS**  trans-15.2100.2146.2-68-8.5000116
511E22.5Very low22.4Very low188 Ų188145.7 Ų145.788%0.87980%0.797SS**  trans-135.989.4140.2-71.9-171168.200106.3T509 Q513T509-E511 PolarHBondContact O-N 3.34Å; E511-Q513 PolarHBondContact O-N 3.06Å; E511-Q513 VanDerWaalsContact O-N 3.11Å
512Q25.8Very low22.4Very low180 Ų180145.7 Ų145.784%0.84180%0.798SS**  trans-67.3104167.5-76.2173.6-39.600107S514Q512-S514 PolarHBondContact O-N 2.76Å
513Q21.7Very low22.3Very low194 Ų194143.4 Ų143.491%0.90779%0.791SS**  trans-68.478.9159.3-76.3178.7-22.500107.7E511E511-Q513 PolarHBondContact O-N 3.06Å; E511-Q513 VanDerWaalsContact O-N 3.11Å
514S23.8Very low22.2Very low94 Ų94143.9 Ų143.966%0.65779%0.788SS**  trans-67.5128157.8470000108Q512 P516Q512-S514 PolarHBondContact O-N 2.76Å; S514-P516 WeakPolarHBondContact O-CD 3.46Å; S514-P516 VanDerWaalsContact O-N 3.11Å
515I24.4Very low21.9Very low154 Ų154144 Ų14479%0.7979%0.793SS**  trans-43116.2167.4-60.1163.2000107.8M517I515-M517 PolarHBondContact O-N 3.37Å
516P21.6Very low21.8Very low111 Ų111145.4 Ų145.472%0.72179%0.792SS**  trans-7298.9179.727.1-29.2000107.8S514 V518S514-P516 WeakPolarHBondContact O-CD 3.46Å; S514-P516 VanDerWaalsContact O-N 3.11Å; P516-V518 PolarHBondContact O-N 3.06Å
517M22.1Very low21.8Very low154 Ų154145.5 Ų145.576%0.75979%0.793SS**  trans-54.2104.1157.9-80.8-179.378.100107.4I515 K519I515-M517 PolarHBondContact O-N 3.37Å; M517-K519 VanDerWaalsContact C-N 3.25Å; M517-K519 PolarHBondContact O-N 3.02Å
518V20.9Very low21.8Very low140 Ų140146.9 Ų146.985%0.84880%0.795SS**  trans-6794.6164.41780000106P516 S520P516-V518 PolarHBondContact O-N 3.06Å; V518-S520 PolarHBondContact O-N 3.18Å
519K21Very low21.7Very low167 Ų167149.6 Ų149.673%0.72680%0.804SS**  trans-64.3106.1168.6-75.2-177.6176.4-179.80107.7M517 T521M517-K519 VanDerWaalsContact C-N 3.25Å; M517-K519 PolarHBondContact O-N 3.02Å; K519-T521 PolarHBondContact O-N 2.78Å; K519-T521 PolarHBondContact O-OG1 2.85Å
520S21.5Very low21.6Very low108 Ų108147.6 Ų147.676%0.75580%0.801SS**  trans-53.6120.6160.446.40000107.9V518 T522V518-S520 PolarHBondContact O-N 3.18Å; S520-T522 PolarHBondContact O-N 2.97Å
521T19Very low21.3Very low129 Ų129146.5 Ų146.579%0.79180%0.8SS**  trans-88.892.5-173.7-54.90000108.4K519K519-T521 PolarHBondContact O-N 2.78Å; K519-T521 PolarHBondContact O-OG1 2.85Å
522T22.6Very low21.2Very low123 Ų123142.5 Ų142.576%0.75579%0.793SS**  trans-102.3115.9156.234.10000108.6S520 I524S520-T522 PolarHBondContact O-N 2.97Å; T522-I524 PolarHBondContact O-N 3.06Å
523P19.2Very low20.9Very low114 Ų114142.9 Ų142.974%0.7479%0.792SS**  trans-79.7110.1-17129.4-31.4000110.8
524I22.5Very low20.9Very low151 Ų151141.9 Ų141.977%0.77479%0.787SS**  trans-97.9113.6164.7-61.1177000108.4T522 K526T522-I524 PolarHBondContact O-N 3.06Å; I524-K526 PolarHBondContact O-N 3.5Å
525M19.2Very low20.6Very low183 Ų183143 Ų14390%0.90179%0.79SS**  trans-58.2102.1171.6-71.6173.362.500109.9S527M525-S527 PolarHBondContact O-N 2.97Å
526K19.8Very low20.4Very low193 Ų193143.6 Ų143.684%0.83979%0.793SS**  trans-80.9107.2166-75.5-174.1176.4-177.20109.5I524 N528I524-K526 PolarHBondContact O-N 3.5Å; K526-N528 PolarHBondContact O-N 3.21Å
527S21.6Very low20.3Very low117 Ų117145.4 Ų145.482%0.81880%0.797SS**  trans-71.8117.615751.50000109M525M525-S527 PolarHBondContact O-N 2.97Å
528N18.7Very low20.2Very low157 Ų157141.7 Ų141.784%0.8480%0.798SS**  trans-56.7138.8167.3-68.4-38.6000110.9K526K526-N528 PolarHBondContact O-N 3.21Å
529E21.3Very low20.1Very low201 Ų201140.6 Ų140.694%0.93980%0.796SS**  -156142.7127.4-116.9172.8-167.700111.5
530A20.5Very low20.1Very low85 Ų85137.3 Ų137.370%0.70279%0.794SS**  trans-102.4145-153.400000111.8
531T17.9Very low20.1Very low134 Ų134137.9 Ų137.982%0.82280%0.795SS**  trans19.1125.1139.942.40000118.9
532S20.3Very low20.1Very low104 Ų104139.7 Ų139.773%0.72780%0.795SS**  -171.4130116.439.50000112.9
533K20.4Very low19.9Very low187 Ų187138.5 Ų138.581%0.81379%0.791SS**  trans55.8136.5134.2-59.9179.3178.7-177.90117.4
534E20Very low19.9Very low173 Ų173141.6 Ų141.681%0.80880%0.798SS**  cis-172.2151.943-143.8159-144.700110.2
535V18.3Very low19.7Very low117 Ų117141.6 Ų141.671%0.70980%0.798SS**  trans-71133175167.80000110.7
536I20.6Very low19.8Very low168 Ų168139.6 Ų139.686%0.86279%0.789SS**  trans-144.3123.9144.9-59.5-173000111
537N18.9Very low19.7Very low149 Ų149138.4 Ų138.480%0.79779%0.787SS**  trans-58.5143.5169.9-70.4-36.3000113.5
538G20.2Very low19.7Very low76 Ų76140.4 Ų140.478%0.78478%0.783SS**  trans-156.797.8170.600000112.2
539S19.8Very low19.8Very low116 Ų116139.2 Ų139.281%0.81178%0.777SS**  trans-40.3142174.946.30000118.3
540S19.6Very low19.9Very low98 Ų98139 Ų13969%0.68578%0.776SS**  trans-12.6141.5144.9154.90000117.8E542S540-E542 PolarHBondContact OG-N 2.92Å
541P21.3Very low20Very low120 Ų120142.1 Ų142.178%0.77978%0.781SS**  -128118.1118.733-21.5000109.7
542E18.5Very low20.2Very low168 Ų168139.2 Ų139.279%0.78578%0.777SS**  56.597.993.5-81.8-171.3171.700115S540S540-E542 PolarHBondContact OG-N 2.92Å
543S19.3Very low20.3Very low97 Ų97141.7 Ų141.768%0.67878%0.781SS**  trans48.9120.2133.261.90000119.8
544M19.2Very low20.5Very low180 Ų180138.5 Ų138.589%0.88778%0.777SS**  -145118126.3-104.8-176.1-132.800110.1
545I17.9Very low20.7Very low151 Ų151135.9 Ų135.977%0.77477%0.769SS**  trans-75.5118.9168.7-65.1162000106.4E547I545-E547 HydrophobicContact CG2-CG 4.39Å
546I21.4Very low20.9Very low140 Ų140138.7 Ų138.772%0.71877%0.771SS**  trans-126.498.4162.8-59.7-179.7000106.8
547E18Very low21.2Very low169 Ų169133.5 Ų133.579%0.7975%0.75SS**  trans-62.4124.4158.4-66.4177.2152.500108.2I545I545-E547 HydrophobicContact CG2-CG 4.39Å
548H21.6Very low21.7Very low158 Ų158130.6 Ų130.673%0.73173%0.73SS**  trans-155.1114.7143.9-102.1-45.9000112.9
549N21.2Very low22.1Very low133 Ų133131.2 Ų131.271%0.71171%0.713SS**  trans70.193.9139.9-64.4-8.1000119N551N549-N551 PolarHBondContact O-N 3.36Å
550Q22.4Very low22.5Very low195 Ų195128.4 Ų128.491%0.91169%0.693SS**  trans-33.594.8138.7-62.7172.8-8.400112.7
551N23.9Very low22.9Very low151 Ų151127.4 Ų127.481%0.80768%0.679SS**  trans-116.285148.5-87.2-14.8000106.8N549 I553N549-N551 PolarHBondContact O-N 3.36Å; N551-I553 VanDerWaalsContact C-N 3.33Å; N551-I553 PolarHBondContact O-N 2.96Å
552G22.3Very low23.4Very low73 Ų73125.4 Ų125.475%0.75366%0.661SS**  trans-66.890.8172.800000110.2
553I22.3Very low24.4Very low156 Ų156119 Ų11980%0.863%0.632SS**  trans-94.392.4147.9-60.3175.8000104N551 D555N551-I553 VanDerWaalsContact C-N 3.33Å; N551-I553 PolarHBondContact O-N 2.96Å; I553-D555 HydrophobicContact CG2-CB 4.48Å; I553-D555 PolarHBondContact O-N 3.42Å
554T23.1Very low25.8Very low120 Ų120115.4 Ų115.474%0.73661%0.61SS**  trans-70.179.3167.451.70000107.3K556T554-K556 PolarHBondContact O-N 2.93Å
555D24.8Very low27.5Very low119 Ų119109.6 Ų109.664%0.63659%0.585SS**  trans-72.388164.5-164.625.4000106.8I553 S557I553-D555 HydrophobicContact CG2-CB 4.48Å; I553-D555 PolarHBondContact O-N 3.42Å; D555-S557 PolarHBondContact O-N 2.8Å; D555-S557 PolarHBondContact OD2-OG 2.78Å
556K23.9Very low29.2Very low175 Ų175102.8 Ų102.876%0.76155%0.551SS**  trans-75.556.3168.4-74.7-171.1175.4-176.50108.8T554 K558T554-K556 PolarHBondContact O-N 2.93Å; K556-K558 PolarHBondContact O-N 3.44Å; K556-K558 VanDerWaalsContact O-N 3.17Å
557S26.8Very low30.9Very low60 Ų6098.9 Ų98.942%0.4254%0.535SS..  trans-83.170.4161.448.30000107.5D555 E559D555-S557 PolarHBondContact O-N 2.8Å; D555-S557 PolarHBondContact OD2-OG 2.78Å; S557-E559 PolarHBondContact O-N 3.39Å
558K28.7Very low32.9Very low87 Ų8791.3 Ų91.338%0.37850%0.5SS..  trans-70.299.3168.6-71.6-173173.1-172.40107.1K556 C560 D574 E575K556-K558 PolarHBondContact O-N 3.44Å; K556-K558 VanDerWaalsContact O-N 3.17Å; K558-C560 PolarHBondContact O-N 2.88Å; K558-D574 VanDerWaalsContact NZ-CG 3.3Å; K558-D574 IonicContact NZ-OD2 2.61Å; K558-D574 PolarHBondContact NZ-OD2 3.08Å; K558-E575 WeakPolarHBondContact CB-OE1 3.46Å; K558-E575 HydrophobicContact CD-CG 4.34Å
559E27.7Very low34.8Very low89 Ų8984.1 Ų84.142%0.41647%0.467SS..  trans-70.3119.2174-72178.2158.600109.1K230 S557K230-E559 IonicContact NZ-OE2 3.8Å; K230-E559 PolarHBondContact NZ-OE2 2.85Å; S557-E559 PolarHBondContact O-N 3.39Å
560C28.5Very low36.5Very low57 Ų5778.3 Ų78.339%0.38544%0.439SS..  trans-88.7112.5171.6176.80000109.2K558K558-C560 PolarHBondContact O-N 2.88Å
561I29Very low38.2Very low77 Ų7769.6 Ų69.640%0.39540%0.398SS..  trans-87.4122.2172.4-60.4172.5000108L563 L569I561-L563 HydrophobicContact CG2-CD2 4.03Å; I561-L563 HydrophobicContact CG2-CG 4.25Å; I561-L563 PolarHBondContact O-N 3.24Å; I561-L569 VanDerWaalsContact O-O 3.07Å
562I30.5Very low39.9Very low78 Ų7863.8 Ų63.840%0.437%0.369SS..  trans-76.6106.2170.4-59.3174.9000107.6G564 P567I562-G564 VanDerWaalsContact C-N 3.32Å; I562-G564 WeakPolarHBondContact CG2-O 3.46Å; I562-P567 HydrophobicContact CD1-CB 4.01Å; I562-P567 HydrophobicContact CG1-CB 4.46Å
563L40.3Very low41.8Very low34 Ų3462.8 Ų62.818%0.17835%0.347CS..  trans-86.84.5-177.5-68.6160.5000113.9I561 L569 G570 I613 K655 F661I561-L563 HydrophobicContact CG2-CD2 4.03Å; I561-L563 HydrophobicContact CG2-CG 4.25Å; I561-L563 PolarHBondContact O-N 3.24Å; L563-L569 HydrophobicContact CB-CD2 3.88Å; L563-L569 HydrophobicContact CB-CG 4.01Å; L563-L569 PolarHBondContact N-O 3.3Å; L563-G570 VanDerWaalsContact CD1-CA 3.48Å; L563-I613 HydrophobicContact CD1-CD1 4.05Å; L563-K655 HydrophobicContact CD1-CB 4.49Å; L563-K655 WeakPolarHBondContact CD1-O 3.31Å; L563-K655 WeakPolarHBondContact CD2-O 3.36Å; L563-F661 WeakPolarHBondContact O-CD2 3.5Å; L563-F661 WeakPolarHBondContact O-CE2 3.32Å
564G49.2Very low43.6Very low21 Ų2159.8 Ų59.822%0.21633%0.332CS..SBendtrans-172-168.8-168.600000115.4I562 V566I562-G564 VanDerWaalsContact C-N 3.32Å; I562-G564 WeakPolarHBondContact CG2-O 3.46Å; G564-V566 PolarHBondContact O-N 3.22Å; G564-V566 VanDerWaalsContact O-N 3.16Å
565P53.6Low45.4Very low58 Ų5856 Ų5638%0.37731%0.306SS..SBendtrans-68.5-13.8-177.132.8-39.3000112.8F661 A799P565-F661 HydrophobicContact CG-CD1 4.05Å; P565-F661 HydrophobicContact CG-CE1 3.87Å; P565-F661 HydrophobicContact CG-CZ 4.3Å; P565-A799 HydrophobicContact CB-CB 4.22Å; P565-A799 HydrophobicContact CG-CB 3.57Å
566V53.6Low47.3Very low8 Ų850.6 Ų50.65%0.04828%0.277CS..SBendtrans-106.6124.9178.4-1710000108.6G564 T568 L569 I611 T792 K795G564-V566 PolarHBondContact O-N 3.22Å; G564-V566 VanDerWaalsContact O-N 3.16Å; V566-T568 VanDerWaalsContact CG1-OG1 3.25Å; V566-T568 WeakPolarHBondContact CG1-OG1 3.32Å; V566-T568 PolarHBondContact O-N 3.4Å; V566-L569 WeakPolarHBondContact O-CB 3.48Å; V566-L569 PolarHBondContact O-N 3.49Å; V566-L569 VanDerWaalsContact O-N 3.1Å; V566-I611 HydrophobicContact CB-CD1 3.92Å; V566-I611 HydrophobicContact CG1-CD1 4.1Å; V566-I611 HydrophobicContact CG2-CD1 3.94Å; V566-T792 HydrophobicContact CG1-CG2 4.08Å; V566-T792 HydrophobicContact CG2-CG2 4.3Å; V566-K795 HydrophobicContact CG2-CB 4.45Å
567P57.4Low49.2Very low58 Ų5844.6 Ų44.638%0.37725%0.252SS..THydrogen-bonded Turntrans-64.6-10.2-176.226.2-35.4000114.2I562I562-P567 HydrophobicContact CD1-CB 4.01Å; I562-P567 HydrophobicContact CG1-CB 4.46Å
568T60.6Low50.9Low11 Ų1145.2 Ų45.27%0.06726%0.256CS..THydrogen-bonded Turntrans-99.4-4.7-17961.20000113.1V566 G570 L571 D609 I611V566-T568 VanDerWaalsContact CG1-OG1 3.25Å; V566-T568 WeakPolarHBondContact CG1-OG1 3.32Å; V566-T568 PolarHBondContact O-N 3.4Å; T568-G570 PolarHBondContact O-N 3.44Å; T568-L571 WeakPolarHBondContact O-CD1 3.38Å; T568-L571 VanDerWaalsContact O-CG 3.31Å; T568-L571 WeakPolarHBondContact O-CG 3.35Å; T568-D609 VanDerWaalsContact CB-O 3.31Å; T568-D609 WeakPolarHBondContact CB-O 3.33Å; T568-D609 WeakPolarHBondContact CG2-O 3.47Å; T568-D609 PolarHBondContact OG1-O 3.05Å; T568-I611 VanDerWaalsContact O-O 3.13Å
569L60.8Low52.4Low7 Ų742.8 Ų42.84%0.03725%0.247CC..BIsolated β-bridgetrans-73.1118.7174.3-173.672.9000109.6I561 L563 V566 L604 I611 F661I561-L569 VanDerWaalsContact O-O 3.07Å; L563-L569 HydrophobicContact CB-CD2 3.88Å; L563-L569 HydrophobicContact CB-CG 4.01Å; L563-L569 PolarHBondContact N-O 3.3Å; V566-L569 WeakPolarHBondContact O-CB 3.48Å; V566-L569 PolarHBondContact O-N 3.49Å; V566-L569 VanDerWaalsContact O-N 3.1Å; L569-L604 HydrophobicContact CD1-CD2 4.22Å; L569-I611 HydrophobicContact CB-CD1 4.45Å; L569-I611 HydrophobicContact CD1-CB 3.8Å; L569-I611 HydrophobicContact CD1-CD1 4.21Å; L569-I611 HydrophobicContact CD1-CG2 3.41Å; L569-I611 VanDerWaalsContact CD1-CG2 3.41Å; L569-F661 HydrophobicContact CD2-CE2 3.37Å; L569-F661 HydrophobicContact CD2-CZ 3.39Å
570G57.2Low54Low11 Ų1140 Ų4011%0.11324%0.235CC..THydrogen-bonded Turntrans107.34.2179.400000115.3L563 T568 S572L563-G570 VanDerWaalsContact CD1-CA 3.48Å; T568-G570 PolarHBondContact O-N 3.44Å; G570-S572 PolarHBondContact O-N 3.28Å
571L58.7Low55.5Low11 Ų1144.5 Ų44.56%0.05825%0.25CC..  trans-52138.4173.2-70.7167.7000110.9T568 E575 I579 K655T568-L571 WeakPolarHBondContact O-CD1 3.38Å; T568-L571 VanDerWaalsContact O-CG 3.31Å; T568-L571 WeakPolarHBondContact O-CG 3.35Å; L571-E575 HydrophobicContact CD2-CB 4.23Å; L571-I579 HydrophobicContact CD1-CD1 4.01Å; L571-I579 HydrophobicContact CD2-CD1 4.07Å; L571-K655 PolarHBondContact O-NZ 3.44Å
572S58.9Low56.9Low29 Ų2944.7 Ų44.720%0.20326%0.258CS..  trans-60.4154.2170.263.20000110.2G570 D574 E575 Y576G570-S572 PolarHBondContact O-N 3.28Å; S572-D574 PolarHBondContact O-N 2.84Å; S572-E575 WeakPolarHBondContact CB-OE2 3.39Å; S572-E575 PolarHBondContact N-OE2 3.34Å; S572-E575 PolarHBondContact O-N 3.19Å; S572-E575 VanDerWaalsContact OG-CB 3.3Å; S572-E575 WeakPolarHBondContact OG-CB 3.31Å; S572-E575 WeakPolarHBondContact OG-CG 3.36Å; S572-E575 PolarHBondContact OG-N 3.48Å; S572-E575 VanDerWaalsContact OG-N 3.11Å; S572-E575 PolarHBondContact OG-OE2 2.91Å; S572-Y576 WeakPolarHBondContact O-CB 3.12Å; S572-Y576 PolarHBondContact O-N 3.32Å
573N61.8Low58Low53 Ų5343.8 Ų43.828%0.28326%0.259SS..Hα-helixtrans-57.5-39.9177.8-167.945.2000110.4Y576 Q577 L651N573-Y576 WeakPolarHBondContact O-CB 3.47Å; N573-Y576 PolarHBondContact O-N 3.33Å; N573-Q577 WeakPolarHBondContact O-CB 3.04Å; N573-Q577 WeakPolarHBondContact O-CG 3.38Å; N573-Q577 PolarHBondContact O-N 2.98Å; N573-L651 HydrophobicContact CB-CD2 3.73Å; N573-L651 HydrophobicContact CB-CG 4.48Å
574D60.5Low58.3Low93 Ų9346.3 Ų46.350%0.49728%0.279SS..Hα-helixtrans-65.4-39.5176.9-70.1-6.6000114.1K558 S572 Q577 S578K558-D574 VanDerWaalsContact NZ-CG 3.3Å; K558-D574 IonicContact NZ-OD2 2.61Å; K558-D574 PolarHBondContact NZ-OD2 3.08Å; S572-D574 PolarHBondContact O-N 2.84Å; D574-Q577 PolarHBondContact O-N 3.26Å; D574-S578 WeakPolarHBondContact O-CB 3.26Å; D574-S578 PolarHBondContact O-N 2.8Å
575E60.9Low58.4Low39 Ų3950.5 Ų50.518%0.18231%0.305CS..Hα-helixtrans-68.4-42.7174.4-76.3164.214900110.7K558 L571 S572 Q577 S578 I579K558-E575 WeakPolarHBondContact CB-OE1 3.46Å; K558-E575 HydrophobicContact CD-CG 4.34Å; L571-E575 HydrophobicContact CD2-CB 4.23Å; S572-E575 WeakPolarHBondContact CB-OE2 3.39Å; S572-E575 PolarHBondContact N-OE2 3.34Å; S572-E575 PolarHBondContact O-N 3.19Å; S572-E575 VanDerWaalsContact OG-CB 3.3Å; S572-E575 WeakPolarHBondContact OG-CB 3.31Å; S572-E575 WeakPolarHBondContact OG-CG 3.36Å; S572-E575 PolarHBondContact OG-N 3.48Å; S572-E575 VanDerWaalsContact OG-N 3.11Å; S572-E575 PolarHBondContact OG-OE2 2.91Å; E575-Q577 VanDerWaalsContact C-N 3.33Å; E575-Q577 PolarHBondContact O-N 3.19Å; E575-S578 PolarHBondContact O-N 3.37Å; E575-I579 VanDerWaalsContact O-CB 3.24Å; E575-I579 WeakPolarHBondContact O-CB 3.47Å; E575-I579 WeakPolarHBondContact O-CD1 3.48Å; E575-I579 WeakPolarHBondContact O-CG1 3.08Å; E575-I579 PolarHBondContact O-N 3.31Å
576Y64.8Low58.9Low6 Ų652.4 Ų52.42%0.02432%0.316CS..Hα-helixtrans-55.7-48.7173.1-178-107.3000110.6S572 N573 I579 L580 H605 L607 R610S572-Y576 WeakPolarHBondContact O-CB 3.12Å; S572-Y576 PolarHBondContact O-N 3.32Å; N573-Y576 WeakPolarHBondContact O-CB 3.47Å; N573-Y576 PolarHBondContact O-N 3.33Å; Y576-I579 PolarHBondContact O-N 3.07Å; Y576-L580 HydrophobicContact CD1-CD1 3.68Å; Y576-L580 HydrophobicContact CE1-CD1 3.46Å; Y576-L580 VanDerWaalsContact CE1-CD1 3.46Å; Y576-L580 HydrophobicContact CE2-CD1 4.48Å; Y576-L580 HydrophobicContact CG-CD1 4.31Å; Y576-L580 WeakPolarHBondContact O-CB 3.49Å; Y576-L580 WeakPolarHBondContact O-CG 3.19Å; Y576-L580 PolarHBondContact O-N 2.86Å; Y576-H605 AromaticContact CZ-ND1 3.86Å; Y576-H605 PolarHBondContact OH-CE1 3.06Å; Y576-H605 PolarHBondContact OH-ND1 3.1Å; Y576-L607 WeakPolarHBondContact OH-CB 3.26Å; Y576-L607 VanDerWaalsContact OH-CD2 3.28Å; Y576-L607 WeakPolarHBondContact OH-CD2 3.36Å; Y576-R610 HydrophobicContact CD2-CB 4.09Å; Y576-R610 HydrophobicContact CE2-CB 3.74Å
577Q62.9Low60.1Low50 Ų5056 Ų5623%0.23434%0.338CS..Hα-helixtrans-67.6-40.3177-66.9-59.2-19.600113.2N573 D574 E575 I579 L580 Q581N573-Q577 WeakPolarHBondContact O-CB 3.04Å; N573-Q577 WeakPolarHBondContact O-CG 3.38Å; N573-Q577 PolarHBondContact O-N 2.98Å; D574-Q577 PolarHBondContact O-N 3.26Å; E575-Q577 VanDerWaalsContact C-N 3.33Å; E575-Q577 PolarHBondContact O-N 3.19Å; Q577-I579 VanDerWaalsContact C-N 3.35Å; Q577-L580 WeakPolarHBondContact O-CB 3.46Å; Q577-L580 PolarHBondContact O-N 2.72Å; Q577-Q581 VanDerWaalsContact O-CG 3.31Å; Q577-Q581 WeakPolarHBondContact O-CG 3.43Å; Q577-Q581 PolarHBondContact O-N 2.95Å
578S63Low61.4Low73 Ų7354.3 Ų54.351%0.5133%0.327SS..Hα-helixtrans-66.5-39.1177.5-176.80000111.4D574 E575 L580 Q581 S582D574-S578 WeakPolarHBondContact O-CB 3.26Å; D574-S578 PolarHBondContact O-N 2.8Å; E575-S578 PolarHBondContact O-N 3.37Å; S578-L580 VanDerWaalsContact C-N 3.35Å; S578-Q581 PolarHBondContact O-N 2.97Å; S578-S582 WeakPolarHBondContact O-CB 3.21Å; S578-S582 PolarHBondContact O-N 3.45Å
579I61Low62.9Low35 Ų3554.2 Ų54.218%0.17933%0.326CS..Hα-helixtrans-66.4-42.6174.8-69.7162.9000109.2L571 E575 Y576 Q577 Q581 S582 S583 R610L571-I579 HydrophobicContact CD1-CD1 4.01Å; L571-I579 HydrophobicContact CD2-CD1 4.07Å; E575-I579 VanDerWaalsContact O-CB 3.24Å; E575-I579 WeakPolarHBondContact O-CB 3.47Å; E575-I579 WeakPolarHBondContact O-CD1 3.48Å; E575-I579 WeakPolarHBondContact O-CG1 3.08Å; E575-I579 PolarHBondContact O-N 3.31Å; Y576-I579 PolarHBondContact O-N 3.07Å; Q577-I579 VanDerWaalsContact C-N 3.35Å; I579-Q581 VanDerWaalsContact C-N 3.34Å; I579-Q581 PolarHBondContact O-N 3.48Å; I579-S582 WeakPolarHBondContact CA-OG 3.34Å; I579-S582 PolarHBondContact O-N 3.17Å; I579-S582 VanDerWaalsContact O-N 3.16Å; I579-S582 PolarHBondContact O-OG 3.2Å; I579-S583 PolarHBondContact O-N 2.95Å; I579-S583 PolarHBondContact O-OG 3.03Å; I579-R610 HydrophobicContact CG2-CG 4.48Å
580L60.7Low64.4Low32 Ų3254 Ų5417%0.16833%0.325CS..Hα-helixtrans-57.1-46174.9-80.3169.6000112.6Y576 Q577 S578 S582 S583 L607Y576-L580 HydrophobicContact CD1-CD1 3.68Å; Y576-L580 HydrophobicContact CE1-CD1 3.46Å; Y576-L580 VanDerWaalsContact CE1-CD1 3.46Å; Y576-L580 HydrophobicContact CE2-CD1 4.48Å; Y576-L580 HydrophobicContact CG-CD1 4.31Å; Y576-L580 WeakPolarHBondContact O-CB 3.49Å; Y576-L580 WeakPolarHBondContact O-CG 3.19Å; Y576-L580 PolarHBondContact O-N 2.86Å; Q577-L580 WeakPolarHBondContact O-CB 3.46Å; Q577-L580 PolarHBondContact O-N 2.72Å; S578-L580 VanDerWaalsContact C-N 3.35Å; L580-S582 VanDerWaalsContact C-N 3.34Å; L580-S583 PolarHBondContact O-N 3.24Å; L580-L607 HydrophobicContact CD1-CD2 4.19Å; L580-L607 HydrophobicContact CD2-CD2 3.18Å; L580-L607 HydrophobicContact CD2-CG 4.26Å; L580-L607 HydrophobicContact CG-CD2 4.2Å
581Q60.1Low66.2Low150 Ų15053.5 Ų53.570%0.70132%0.319SS*.Hα-helixtrans-67.8-33.5177-70.4173.62.900112.4Q577 S578 I579 S583Q577-Q581 VanDerWaalsContact O-CG 3.31Å; Q577-Q581 WeakPolarHBondContact O-CG 3.43Å; Q577-Q581 PolarHBondContact O-N 2.95Å; S578-Q581 PolarHBondContact O-N 2.97Å; I579-Q581 VanDerWaalsContact C-N 3.34Å; I579-Q581 PolarHBondContact O-N 3.48Å; Q581-S583 VanDerWaalsContact C-N 3.35Å
582S58Low67.9Low81 Ų8153.6 Ų53.657%0.56632%0.32SS*.Hα-helixtrans-72.5-25.8179.276.20000113.8S578 I579 L580 S584S578-S582 WeakPolarHBondContact O-CB 3.21Å; S578-S582 PolarHBondContact O-N 3.45Å; I579-S582 WeakPolarHBondContact CA-OG 3.34Å; I579-S582 PolarHBondContact O-N 3.17Å; I579-S582 VanDerWaalsContact O-N 3.16Å; I579-S582 PolarHBondContact O-OG 3.2Å; L580-S582 VanDerWaalsContact C-N 3.34Å; S582-S584 PolarHBondContact O-N 3.03Å
583S53.3Low69.6Low60 Ų6052.2 Ų52.242%0.4231%0.31SS..SBendtrans-75.760.8173.5-60.80000110.3I579 L580 Q581 S585I579-S583 PolarHBondContact O-N 2.95Å; I579-S583 PolarHBondContact O-OG 3.03Å; L580-S583 PolarHBondContact O-N 3.24Å; Q581-S583 VanDerWaalsContact C-N 3.35Å; S583-S585 PolarHBondContact O-N 3.07Å; S583-S585 VanDerWaalsContact O-N 3.12Å
584S47.4Very low71.1Confident87 Ų8750.4 Ų50.461%0.60830%0.301SS*.THydrogen-bonded Turntrans-64.4109.6175.7-57.60000108.8S582S582-S584 PolarHBondContact O-N 3.03Å
585S51.9Low72.7Confident109 Ų10946.1 Ų46.176%0.76228%0.278SS*.THydrogen-bonded Turntrans1105.7159.878.40000121.8S583S583-S585 PolarHBondContact O-N 3.07Å; S583-S585 VanDerWaalsContact O-N 3.12Å
586T64.4Low74.2Confident97 Ų9746.7 Ų46.760%0.59528%0.282SS*.  trans-121124.5179.656.20000114.1
587T77.7Confident75.3Confident84 Ų8446.7 Ų46.752%0.51528%0.284SS..  trans-59.6132.1161.7-52.50000109L479 R480 R481L479-T587 HydrophobicContact CB-CG2 3.67Å; L479-T587 HydrophobicContact CD1-CG2 4Å; L479-T587 HydrophobicContact CD2-CG2 4.28Å; L479-T587 HydrophobicContact CG-CG2 4.21Å; R480-T587 WeakPolarHBondContact O-CA 3.3Å; R481-T587 HydrophobicContact CG-CG2 4.31Å
588T85.5Confident76.3Confident22 Ų2246.5 Ų46.514%0.13530%0.295CS..EExtended strand (participates in β ladder)trans-136.7152.3179-175.20000110.7R480 L607 G608 D786R480-T588 HydrophobicContact CB-CG2 4.42Å; R480-T588 PolarHBondContact N-O 2.86Å; T588-L607 HydrophobicContact CG2-CD1 3.51Å; T588-L607 HydrophobicContact CG2-CG 4.14Å; T588-G608 VanDerWaalsContact OG1-CA 3.31Å; T588-G608 WeakPolarHBondContact OG1-CA 3.2Å; T588-D786 PolarHBondContact OG1-OD2 3.41Å
589N91.8Very high77.2Confident9 Ų945.5 Ų45.55%0.04829%0.288CS..EExtended strand (participates in β ladder)trans-69.4146.5178.3-59.997.7000111.1L479 G608 D786 Y789L479-N589 HydrophobicContact CD2-CB 4.48Å; L479-N589 WeakPolarHBondContact CD2-ND2 3.41Å; N589-G608 PolarHBondContact O-N 3.16Å; N589-D786 WeakPolarHBondContact OD1-CB 3.43Å; N589-D786 PolarHBondContact OD1-N 3.21Å; N589-Y789 HydrophobicContact CB-CD1 3.6Å; N589-Y789 HydrophobicContact CB-CD2 3.78Å; N589-Y789 HydrophobicContact CB-CE1 3.9Å; N589-Y789 HydrophobicContact CB-CE2 4.04Å; N589-Y789 HydrophobicContact CB-CG 3.55Å
590Q91.6Very high78.3Confident3 Ų345.2 Ų45.21%0.01429%0.286CS..EExtended strand (participates in β ladder)trans-139.4151.2170.942.6170.22.400112.3L477 P478 H605 I606 L607L477-Q590 HydrophobicContact CB-CB 4.23Å; L477-Q590 HydrophobicContact CB-CG 3.68Å; L477-Q590 PolarHBondContact N-O 2.9Å; P478-Q590 VanDerWaalsContact O-CD 3.29Å; P478-Q590 WeakPolarHBondContact O-CG 3.35Å; P478-Q590 PolarHBondContact O-NE2 3.03Å; Q590-H605 PolarHBondContact OE1-CE1 2.94Å; Q590-H605 PolarHBondContact OE1-NE2 3.01Å; Q590-I606 CarbonylContact C-O 3.58Å; Q590-I606 WeakPolarHBondContact CA-O 3.39Å; Q590-I606 VanDerWaalsContact CB-O 3.3Å; Q590-I606 WeakPolarHBondContact CB-O 3.41Å; Q590-L607 HydrophobicContact CB-CB 4.47Å; Q590-L607 HydrophobicContact CB-CD1 3.72Å; Q590-L607 HydrophobicContact CG-CD1 4.16Å
591C94.5Very high79.6Confident0 Ų046.8 Ų46.80%029%0.293CS..EExtended strand (participates in β ladder)trans-147.6163.4171.264.10000110.8L474 R475 I606 Y789L474-C591 HydrophobicContact CD1-CB 4.32Å; R475-C591 CarbonylContact O-C 3.43Å; R475-C591 WeakPolarHBondContact O-CA 3.37Å; R475-C591 WeakPolarHBondContact O-CB 3.01Å; C591-I606 PolarHBondContact N-O 3.14Å; C591-I606 PolarHBondContact O-N 2.78Å; C591-Y789 HydrophobicContact CB-CE2 4.28Å; C591-Y789 VanDerWaalsContact CB-OH 3.27Å; C591-Y789 WeakPolarHBondContact CB-OH 3.29Å; C591-Y789 PolarHBondContact SG-OH 3.28Å
592L94.3Very high80.9Confident13 Ų1340.4 Ų40.47%0.06826%0.263CS..EExtended strand (participates in β ladder)trans-111.6121.7173.3179.863.6000108R475 L477 R603 L604 L614R475-L592 PolarHBondContact N-O 2.95Å; R475-L592 PolarHBondContact O-N 3.4Å; L477-L592 HydrophobicContact CD1-CB 4.26Å; L477-L592 HydrophobicContact CG-CB 4.44Å; L592-R603 HydrophobicContact CD1-CB 4.32Å; L592-L604 WeakPolarHBondContact CA-O 3.19Å; L592-L614 HydrophobicContact CD1-CD1 3.6Å
593L95.5Very high82.4Confident0 Ų037.5 Ų37.50%024%0.24CC..EExtended strand (participates in β ladder)trans-105114.4168.5176.667.6000108.8E473 L474 I595 L604 I606 L796 L802E473-L593 CarbonylContact O-C 3.51Å; E473-L593 WeakPolarHBondContact O-CA 3.32Å; L474-L593 HydrophobicContact CB-CD1 4.01Å; L474-L593 HydrophobicContact CD1-CB 4.03Å; L474-L593 HydrophobicContact CD1-CD1 4.2Å; L593-I595 HydrophobicContact CD1-CG1 4.34Å; L593-I595 HydrophobicContact CD2-CD1 3.98Å; L593-I595 HydrophobicContact CD2-CG1 4.35Å; L593-I595 HydrophobicContact CG-CD1 4.23Å; L593-I595 HydrophobicContact CG-CG1 4.07Å; L593-L604 HydrophobicContact CB-CB 4.3Å; L593-L604 HydrophobicContact CD2-CD1 4.33Å; L593-L604 PolarHBondContact N-O 2.84Å; L593-L604 PolarHBondContact O-N 3.18Å; L593-I606 HydrophobicContact CB-CD1 4.37Å; L593-L796 HydrophobicContact CD2-CD2 3.5Å; L593-L796 HydrophobicContact CD2-CG 4.06Å; L593-L802 HydrophobicContact CD1-CD1 3.76Å; L593-L802 HydrophobicContact CD2-CD1 4.43Å
594T94.3Very high84.2Confident16 Ų1634.8 Ų34.810%0.09822%0.221CC..EExtended strand (participates in β ladder)trans-102.7128.8174.3-58.70000108.6W472 E473 I596 E601 L602 R603W472-T594 CarbonylContact C-O 3.56Å; W472-T594 WeakPolarHBondContact CA-O 3.33Å; E473-T594 PolarHBondContact N-O 2.95Å; E473-T594 PolarHBondContact O-N 3.41Å; T594-I596 HydrophobicContact CG2-CG1 4.26Å; T594-E601 HydrophobicContact CG2-CG 4.28Å; T594-L602 CarbonylContact C-O 3.57Å; T594-L602 WeakPolarHBondContact CA-O 3.2Å; T594-R603 HydrophobicContact CG2-CG 4.13Å
595I93.8Very high86.3Confident3 Ų330.9 Ų30.92%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-128.2122.4176.1-56.3168.5000107.3F469 W472 L593 L602 T800 L802F469-I595 HydrophobicContact CB-CG2 4.36Å; F469-I595 HydrophobicContact CD1-CG2 3.38Å; F469-I595 HydrophobicContact CD2-CG2 4.32Å; F469-I595 HydrophobicContact CE1-CG2 3.61Å; F469-I595 HydrophobicContact CG-CG2 3.77Å; F469-I595 HydrophobicContact CZ-CG2 4.19Å; W472-I595 HydrophobicContact CB-CG1 4.44Å; L593-I595 HydrophobicContact CD1-CG1 4.34Å; L593-I595 HydrophobicContact CD2-CD1 3.98Å; L593-I595 HydrophobicContact CD2-CG1 4.35Å; L593-I595 HydrophobicContact CG-CD1 4.23Å; L593-I595 HydrophobicContact CG-CG1 4.07Å; I595-L602 PolarHBondContact N-O 3.48Å; I595-L602 PolarHBondContact O-N 2.86Å; I595-T800 HydrophobicContact CD1-CG2 4.09Å; I595-L802 HydrophobicContact CD1-CD2 3.85Å; I595-L802 HydrophobicContact CG1-CD2 3.95Å; I595-L802 HydrophobicContact CG2-CD2 4.3Å
596I92.3Very high88.1Confident50 Ų5025.7 Ų25.726%0.25616%0.157SC..EExtended strand (participates in β ladder)trans-108.2113.7177.5-55.8-178.9000107.4F469 Q470 Y471 T594 E601F469-I596 CarbonylContact C-O 3.59Å; Q470-I596 HydrophobicContact CB-CG2 4.49Å; Q470-I596 PolarHBondContact N-O 3.15Å; Y471-I596 HydrophobicContact CD1-CD1 3.73Å; Y471-I596 HydrophobicContact CD1-CG1 4.13Å; Y471-I596 HydrophobicContact CG-CD1 4.34Å; Y471-I596 PolarHBondContact N-O 2.98Å; Y471-I596 PolarHBondContact O-N 3.37Å; T594-I596 HydrophobicContact CG2-CG1 4.26Å; I596-E601 HydrophobicContact CG1-CB 4.39Å; I596-E601 HydrophobicContact CG1-CG 4.13Å
597G88.2Confident89.2Confident6 Ų621.3 Ų21.36%0.06213%0.129CC..  trans-96.4-172.2171.600000112.2N466 C599 I600N466-G597 VanDerWaalsContact O-CA 3.23Å; N466-G597 WeakPolarHBondContact O-CA 3.47Å; G597-C599 VanDerWaalsContact C-N 3.26Å; G597-C599 PolarHBondContact O-N 2.93Å; G597-I600 PolarHBondContact N-O 3.39Å
598G83.7Confident89.6Confident46 Ų4617.4 Ų17.447%0.47411%0.106SC..SBendtrans-61.8-31.2175.700000114.6N466N466-G598 PolarHBondContact O-N 3.27Å
599C81.9Confident89.5Confident53 Ų5318.2 Ų18.236%0.35811%0.11SC..SBendtrans-120.4-29.1-170.1-540000114.1V415 I465 N466 G597V415-C599 HydrophobicContact CB-CB 4.27Å; V415-C599 HydrophobicContact CG1-CB 3.8Å; V415-C599 HydrophobicContact CG2-CB 3.77Å; I465-C599 PolarHBondContact O-SG 3.19Å; N466-C599 WeakPolarHBondContact OD1-CA 3.25Å; N466-C599 VanDerWaalsContact OD1-CB 3.23Å; N466-C599 WeakPolarHBondContact OD1-CB 3.41Å; N466-C599 PolarHBondContact OD1-N 3.1Å; G597-C599 VanDerWaalsContact C-N 3.26Å; G597-C599 PolarHBondContact O-N 2.93Å
600I83.2Confident89Confident29 Ų2920.4 Ų20.415%0.14912%0.117CC..  trans-135152-176.470.9-176.8000111.8N466 G597 I658N466-I600 VanDerWaalsContact ND2-CD1 3.28Å; N466-I600 WeakPolarHBondContact ND2-CD1 3.27Å; N466-I600 WeakPolarHBondContact ND2-CG1 3.35Å; N466-I600 PolarHBondContact OD1-N 2.79Å; N466-I600 VanDerWaalsContact OD1-N 3.14Å; G597-I600 PolarHBondContact N-O 3.39Å; I600-I658 HydrophobicContact CD1-CB 4.3Å; I600-I658 HydrophobicContact CD1-CD1 3.44Å; I600-I658 VanDerWaalsContact CD1-CD1 3.44Å; I600-I658 HydrophobicContact CD1-CG1 3.71Å; I600-I658 HydrophobicContact CD1-CG2 3.61Å
601E88.8Confident88.7Confident64 Ų6420.3 Ų20.330%0.29912%0.117SC..EExtended strand (participates in β ladder)trans-102.5125.6162.1170.5-170.4166.200108.4T594 I596 R603 N616T594-E601 HydrophobicContact CG2-CG 4.28Å; I596-E601 HydrophobicContact CG1-CB 4.39Å; I596-E601 HydrophobicContact CG1-CG 4.13Å; E601-R603 HydrophobicContact CG-CG 4.18Å; E601-R603 WeakPolarHBondContact OE1-CD 3.24Å; E601-R603 WeakPolarHBondContact OE1-CG 3.38Å; E601-R603 IonicContact OE1-NE 3.44Å; E601-N616 PolarHBondContact O-ND2 3.49Å
602L87.9Confident88.1Confident16 Ų1620.5 Ų20.58%0.08412%0.118CC..EExtended strand (participates in β ladder)trans-109.9119.2177.7-175.969.1000109.5T594 I595 L604 I613T594-L602 CarbonylContact C-O 3.57Å; T594-L602 WeakPolarHBondContact CA-O 3.2Å; I595-L602 PolarHBondContact N-O 3.48Å; I595-L602 PolarHBondContact O-N 2.86Å; L602-L604 HydrophobicContact CD1-CD2 3.96Å; L602-L604 HydrophobicContact CD2-CD1 4.01Å; L602-L604 HydrophobicContact CD2-CD2 4Å; L602-L604 HydrophobicContact CD2-CG 4.04Å; L602-L604 HydrophobicContact CG-CD1 4.47Å; L602-L604 HydrophobicContact CG-CD2 3.82Å; L602-L604 HydrophobicContact CG-CG 3.96Å; L602-I613 HydrophobicContact CD1-CG1 4.41Å; L602-I613 HydrophobicContact CD1-CG2 3.89Å
603R89.6Confident87.5Confident20 Ų2020.8 Ų20.88%0.07512%0.12CC..EExtended strand (participates in β ladder)trans-111.1112.4175.7-68-170.2-69.3176.94.2110.3L592 T594 E601 L614 P615 N616L592-R603 HydrophobicContact CD1-CB 4.32Å; T594-R603 HydrophobicContact CG2-CG 4.13Å; E601-R603 HydrophobicContact CG-CG 4.18Å; E601-R603 WeakPolarHBondContact OE1-CD 3.24Å; E601-R603 WeakPolarHBondContact OE1-CG 3.38Å; E601-R603 IonicContact OE1-NE 3.44Å; R603-L614 HydrophobicContact CB-CB 3.97Å; R603-L614 HydrophobicContact CB-CD1 4.27Å; R603-L614 PolarHBondContact O-N 2.8Å; R603-P615 PolarHBondContact NH2-O 2.89Å; R603-N616 PolarHBondContact NE-OD1 3.39Å
604L91.1Very high86.7Confident4 Ų421.5 Ų21.52%0.02112%0.124CC..EExtended strand (participates in β ladder)trans-107.9111.5-177.1-58.5-179000110.2L569 L592 L593 L602 I611 I613 L796L569-L604 HydrophobicContact CD1-CD2 4.22Å; L592-L604 WeakPolarHBondContact CA-O 3.19Å; L593-L604 HydrophobicContact CB-CB 4.3Å; L593-L604 HydrophobicContact CD2-CD1 4.33Å; L593-L604 PolarHBondContact N-O 2.84Å; L593-L604 PolarHBondContact O-N 3.18Å; L602-L604 HydrophobicContact CD1-CD2 3.96Å; L602-L604 HydrophobicContact CD2-CD1 4.01Å; L602-L604 HydrophobicContact CD2-CD2 4Å; L602-L604 HydrophobicContact CD2-CG 4.04Å; L602-L604 HydrophobicContact CG-CD1 4.47Å; L602-L604 HydrophobicContact CG-CD2 3.82Å; L602-L604 HydrophobicContact CG-CG 3.96Å; L604-I611 HydrophobicContact CB-CG2 4.1Å; L604-I611 HydrophobicContact CD2-CG2 4.29Å; L604-I613 HydrophobicContact CD2-CB 4.42Å; L604-I613 HydrophobicContact CD2-CG1 3.62Å; L604-L796 HydrophobicContact CD1-CD1 4.23Å; L604-L796 HydrophobicContact CD1-CD2 3.99Å
605H89.4Confident85.5Confident5 Ų522 Ų222%0.02313%0.127CC..EExtended strand (participates in β ladder)trans-85.2113.5169.9-179.3-148.4000109.7Y576 Q590 I611 S612 L614Y576-H605 AromaticContact CZ-ND1 3.86Å; Y576-H605 PolarHBondContact OH-CE1 3.06Å; Y576-H605 PolarHBondContact OH-ND1 3.1Å; Q590-H605 PolarHBondContact OE1-CE1 2.94Å; Q590-H605 PolarHBondContact OE1-NE2 3.01Å; H605-I611 CarbonylContact O-C 3.49Å; H605-I611 WeakPolarHBondContact O-CA 3.04Å; H605-S612 PolarHBondContact N-O 2.85Å; H605-S612 PolarHBondContact O-N 2.88Å; H605-L614 HydrophobicContact CB-CD1 4.12Å; H605-L614 HydrophobicContact CB-CD2 4.14Å; H605-L614 HydrophobicContact CB-CG 4.09Å
606I91.2Very high83.8Confident0 Ų025.3 Ų25.30%014%0.144CC..EExtended strand (participates in β ladder)trans-102.3125.9178.7-50.4172.7000107.8Q590 C591 L593 R610 I611 Y789 T792 V793 L796Q590-I606 CarbonylContact C-O 3.58Å; Q590-I606 WeakPolarHBondContact CA-O 3.39Å; Q590-I606 VanDerWaalsContact CB-O 3.3Å; Q590-I606 WeakPolarHBondContact CB-O 3.41Å; C591-I606 PolarHBondContact N-O 3.14Å; C591-I606 PolarHBondContact O-N 2.78Å; L593-I606 HydrophobicContact CB-CD1 4.37Å; I606-R610 CarbonylContact C-O 3.56Å; I606-R610 WeakPolarHBondContact CA-O 3.5Å; I606-I611 HydrophobicContact CG1-CG1 4.4Å; I606-I611 HydrophobicContact CG1-CG2 4.4Å; I606-I611 HydrophobicContact CG2-CG1 4.47Å; I606-Y789 HydrophobicContact CG2-CD2 4.19Å; I606-Y789 HydrophobicContact CG2-CE2 4.24Å; I606-T792 HydrophobicContact CG2-CG2 3.89Å; I606-V793 HydrophobicContact CD1-CG2 4.14Å; I606-V793 HydrophobicContact CG2-CG2 4.11Å; I606-L796 HydrophobicContact CD1-CD2 3.41Å; I606-L796 VanDerWaalsContact CD1-CD2 3.41Å; I606-L796 HydrophobicContact CG1-CD2 4.24Å
607L87.8Confident81.3Confident4 Ų426.7 Ų26.72%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-139106.5-177.7178.163.5000109.5R480 Y576 L580 T588 Q590 D609 R610R480-L607 HydrophobicContact CB-CD1 3.75Å; R480-L607 HydrophobicContact CG-CD1 4.21Å; Y576-L607 WeakPolarHBondContact OH-CB 3.26Å; Y576-L607 VanDerWaalsContact OH-CD2 3.28Å; Y576-L607 WeakPolarHBondContact OH-CD2 3.36Å; L580-L607 HydrophobicContact CD1-CD2 4.19Å; L580-L607 HydrophobicContact CD2-CD2 3.18Å; L580-L607 HydrophobicContact CD2-CG 4.26Å; L580-L607 HydrophobicContact CG-CD2 4.2Å; T588-L607 HydrophobicContact CG2-CD1 3.51Å; T588-L607 HydrophobicContact CG2-CG 4.14Å; Q590-L607 HydrophobicContact CB-CB 4.47Å; Q590-L607 HydrophobicContact CB-CD1 3.72Å; Q590-L607 HydrophobicContact CG-CD1 4.16Å; L607-D609 PolarHBondContact O-N 2.93Å; L607-R610 PolarHBondContact N-O 2.99Å; L607-R610 WeakPolarHBondContact O-CB 3.44Å; L607-R610 PolarHBondContact O-N 2.81Å
608G86.4Confident78.6Confident3 Ų334 Ų343%0.03119%0.193CC..THydrogen-bonded Turntrans57.6-123.5-17000000111T588 N589 Y789T588-G608 VanDerWaalsContact OG1-CA 3.31Å; T588-G608 WeakPolarHBondContact OG1-CA 3.2Å; N589-G608 PolarHBondContact O-N 3.16Å; G608-Y789 VanDerWaalsContact O-CA 3.24Å; G608-Y789 WeakPolarHBondContact O-CA 3.36Å
609D82.8Confident75.8Confident39 Ų3935.7 Ų35.721%0.20920%0.201CC..THydrogen-bonded Turntrans-88.36.8173.455.88000114.8T568 L607 K788 T792T568-D609 VanDerWaalsContact CB-O 3.31Å; T568-D609 WeakPolarHBondContact CB-O 3.33Å; T568-D609 WeakPolarHBondContact CG2-O 3.47Å; T568-D609 PolarHBondContact OG1-O 3.05Å; L607-D609 PolarHBondContact O-N 2.93Å; D609-K788 HydrophobicContact CB-CB 4.11Å; D609-K788 HydrophobicContact CB-CD 4.46Å; D609-K788 IonicContact OD2-NZ 3.5Å; D609-T792 WeakPolarHBondContact CA-OG1 3.13Å
610R81.3Confident73Confident55 Ų5539.5 Ų39.521%0.20822%0.224CC..EExtended strand (participates in β ladder)trans-107.1142.1-172.1-50.9-66.1158.3169.41.8111.2Y576 I579 I606 L607Y576-R610 HydrophobicContact CD2-CB 4.09Å; Y576-R610 HydrophobicContact CE2-CB 3.74Å; I579-R610 HydrophobicContact CG2-CG 4.48Å; I606-R610 CarbonylContact C-O 3.56Å; I606-R610 WeakPolarHBondContact CA-O 3.5Å; L607-R610 PolarHBondContact N-O 2.99Å; L607-R610 WeakPolarHBondContact O-CB 3.44Å; L607-R610 PolarHBondContact O-N 2.81Å
611I84.4Confident70.1Confident0 Ų046.7 Ų46.70%026%0.256CS..EExtended strand (participates in β ladder)trans-126.5126175.4-49.2174.8000109.6V566 T568 L569 L604 H605 I606 T792 L796V566-I611 HydrophobicContact CB-CD1 3.92Å; V566-I611 HydrophobicContact CG1-CD1 4.1Å; V566-I611 HydrophobicContact CG2-CD1 3.94Å; T568-I611 VanDerWaalsContact O-O 3.13Å; L569-I611 HydrophobicContact CB-CD1 4.45Å; L569-I611 HydrophobicContact CD1-CB 3.8Å; L569-I611 HydrophobicContact CD1-CD1 4.21Å; L569-I611 HydrophobicContact CD1-CG2 3.41Å; L569-I611 VanDerWaalsContact CD1-CG2 3.41Å; L604-I611 HydrophobicContact CB-CG2 4.1Å; L604-I611 HydrophobicContact CD2-CG2 4.29Å; H605-I611 CarbonylContact O-C 3.49Å; H605-I611 WeakPolarHBondContact O-CA 3.04Å; I606-I611 HydrophobicContact CG1-CG1 4.4Å; I606-I611 HydrophobicContact CG1-CG2 4.4Å; I606-I611 HydrophobicContact CG2-CG1 4.47Å; I611-T792 HydrophobicContact CD1-CG2 3.81Å; I611-T792 HydrophobicContact CG1-CG2 3.87Å; I611-L796 HydrophobicContact CD1-CD1 4.26Å; I611-L796 HydrophobicContact CD1-CD2 4.43Å
612S82.6Confident67Low5 Ų552.6 Ų52.64%0.03528%0.281CS..EExtended strand (participates in β ladder)trans-114.7135.1171.5-1690000110.6H605H605-S612 PolarHBondContact N-O 2.85Å; H605-S612 PolarHBondContact O-N 2.88Å
613I81.8Confident64Low19 Ų1957.3 Ų57.310%0.09732%0.315CS..EExtended strand (participates in β ladder)trans-82.8122.8169.5-59.4164.2000107.7L563 L602 L604 K655L563-I613 HydrophobicContact CD1-CD1 4.05Å; L602-I613 HydrophobicContact CD1-CG1 4.41Å; L602-I613 HydrophobicContact CD1-CG2 3.89Å; L604-I613 HydrophobicContact CD2-CB 4.42Å; L604-I613 HydrophobicContact CD2-CG1 3.62Å; I613-K655 HydrophobicContact CB-CG 4.27Å; I613-K655 HydrophobicContact CD1-CB 4.46Å; I613-K655 HydrophobicContact CD1-CG 4.09Å
614L79.2Confident60.8Low15 Ų1563.4 Ų63.48%0.07935%0.348CS..EExtended strand (participates in β ladder)trans-87.3133.2175.9-57.5171.9000109.4I492 L592 R603 H605I492-L614 HydrophobicContact CG2-CD1 3.37Å; L592-L614 HydrophobicContact CD1-CD1 3.6Å; R603-L614 HydrophobicContact CB-CB 3.97Å; R603-L614 HydrophobicContact CB-CD1 4.27Å; R603-L614 PolarHBondContact O-N 2.8Å; H605-L614 HydrophobicContact CB-CD1 4.12Å; H605-L614 HydrophobicContact CB-CD2 4.14Å; H605-L614 HydrophobicContact CB-CG 4.09Å
615P68Low57.6Low26 Ų2666.5 Ų66.517%0.16938%0.381CS..PPolyproline II helixtrans-67.1149.1176.629.9-36.3000110.9R603 T617 L651R603-P615 PolarHBondContact NH2-O 2.89Å; P615-T617 PolarHBondContact O-N 3.04Å; P615-L651 HydrophobicContact CG-CD1 3.8Å
616N58.9Low54.4Low72 Ų7273.7 Ų73.739%0.38542%0.418SS..  trans-76.1110.3163.2-67.6-7.5000107.3E601 R603 L618E601-N616 PolarHBondContact O-ND2 3.49Å; R603-N616 PolarHBondContact NE-OD1 3.39Å; N616-L618 PolarHBondContact O-N 3Å
617T39.1Very low51.1Low79 Ų7977.3 Ų77.349%0.48546%0.455SS..  trans-6987.5166.536.10000106.7P615 A619P615-T617 PolarHBondContact O-N 3.04Å; T617-A619 PolarHBondContact O-N 2.96Å
618L30.7Very low48Very low161 Ų16181.9 Ų81.984%0.84349%0.488SS*.  trans-56.4116.6167.8-151.6101.5000105.5N616 T620N616-L618 PolarHBondContact O-N 3Å; L618-T620 PolarHBondContact O-N 3.15Å
619A25.3Very low44.9Very low80 Ų8089.1 Ų89.166%0.66153%0.526SS*.  trans-47.9106.1-177.300000108.3T617 E621T617-A619 PolarHBondContact O-N 2.96Å; A619-E621 VanDerWaalsContact C-N 3.25Å; A619-E621 PolarHBondContact O-N 3.14Å
620T23.5Very low42.1Very low134 Ų13492.5 Ų92.582%0.82255%0.552SS**  trans-64.9103.5168.4-21.40000103L618 K622L618-T620 PolarHBondContact O-N 3.15Å; T620-K622 VanDerWaalsContact C-N 3.29Å; T620-K622 PolarHBondContact O-N 3.5Å
621E22.9Very low39.3Very low179 Ų17997.4 Ų97.484%0.83658%0.581SS**  trans-48.1102.7173.8-71.8-175.4159.500106.3A619 S623A619-E621 VanDerWaalsContact C-N 3.25Å; A619-E621 PolarHBondContact O-N 3.14Å; E621-S623 PolarHBondContact O-N 3.24Å
622K23.9Very low36.2Very low189 Ų189105.8 Ų105.882%0.82262%0.622SS**  trans-62.892.6162.1-79.4179.3-179.6170.30103.1T620 I624T620-K622 VanDerWaalsContact C-N 3.29Å; T620-K622 PolarHBondContact O-N 3.5Å; K622-I624 PolarHBondContact O-N 2.93Å
623S23.6Very low33.5Very low114 Ų114111.9 Ų111.980%0.79766%0.659SS**  trans-52.398.5160.844.10000105.5E621 G625E621-S623 PolarHBondContact O-N 3.24Å; S623-G625 PolarHBondContact O-N 3.44Å
624I23.7Very low30.5Very low148 Ų148118.7 Ų118.776%0.75970%0.695SS**  trans-65.491.8168.8-65.6172.1000103.5K622 I626K622-I624 PolarHBondContact O-N 2.93Å; I624-I626 VanDerWaalsContact C-N 3.32Å; I624-I626 PolarHBondContact O-N 3.15Å
625G23.3Very low27.8Very low69 Ų69121.1 Ų121.171%0.71172%0.724SS**  trans-59.499.9169.900000107.4S623 G627S623-G625 PolarHBondContact O-N 3.44Å; G625-G627 VanDerWaalsContact C-N 3.34Å; G625-G627 PolarHBondContact O-N 3.08Å
626I23Very low25.6Very low156 Ų156126.2 Ų126.280%0.876%0.76SS**  trans-62.3102.2166.8-64.1173000105.5I624 S628I624-I626 VanDerWaalsContact C-N 3.32Å; I624-I626 PolarHBondContact O-N 3.15Å; I626-S628 PolarHBondContact O-N 2.75Å
627G21.3Very low23.9Very low76 Ų76127.8 Ų127.878%0.78478%0.777SS**  trans-65119.9174.800000110.3G625G625-G627 VanDerWaalsContact C-N 3.34Å; G625-G627 PolarHBondContact O-N 3.08Å
628S22.8Very low23.1Very low101 Ų101133.6 Ų133.671%0.70680%0.795SS**  trans-121.8116155.155.80000108.5I626I626-S628 PolarHBondContact O-N 2.75Å
629D21.9Very low22.7Very low155 Ų155129.6 Ų129.683%0.82979%0.793SS**  trans71.6107.4152.9-63.2-20.4000121.4
630S22.1Very low22.5Very low109 Ų109133.1 Ų133.176%0.76280%0.799SS**  61.7111.8123.9-110.40000118.9
631I24.3Very low22.4Very low159 Ų159133.6 Ų133.682%0.81580%0.796SS**  -167.8123.2112.1-87.8146.5000108.2V633I631-V633 HydrophobicContact CG2-CG2 4.37Å
632M18.7Very low22.4Very low176 Ų176131.1 Ų131.187%0.86779%0.793SS**  trans-71.9122.4175.1-66.6-149.8-92.200111
633V25.1Very low22.4Very low133 Ų133127.4 Ų127.481%0.80679%0.787SS**  trans-131.8105.1155-179.10000108.3I631 G635I631-V633 HydrophobicContact CG2-CG2 4.37Å; V633-G635 PolarHBondContact O-N 3.09Å
634N20.2Very low22.4Very low162 Ų162130.7 Ų130.787%0.86679%0.79SS**  trans-63.4116.9170-80.2-28.2000110.1
635G22.3Very low22.4Very low65 Ų65132.5 Ų132.567%0.6779%0.792SS**  trans-149.799.5170.100000110.1V633 S637V633-G635 PolarHBondContact O-N 3.09Å; G635-S637 PolarHBondContact O-N 3.44Å
636S21.4Very low22.5Very low134 Ų134134.2 Ų134.294%0.93778%0.784SS**  trans-69.4110.2172.3178.40000109.9
637S22.9Very low22.6Very low104 Ų104133.1 Ų133.173%0.72778%0.781SS**  trans-170.7112.2160.938.70000111.4G635G635-S637 PolarHBondContact O-N 3.44Å
638K23Very low22.9Very low201 Ų201133 Ų13387%0.87477%0.765SS**  trans20.2108153.6-71.5175.5174.2178.90116.3I640K638-I640 PolarHBondContact O-N 2.97Å
639G22.3Very low23.2Very low77 Ų77133.3 Ų133.379%0.79476%0.758SS**  trans-50112.6166.400000110.6N641G639-N641 PolarHBondContact O-N 3.08Å
640I21.4Very low23.4Very low154 Ų154132.2 Ų132.279%0.7975%0.752SS**  trans-67.9110.9164.4-68.3166.9000104.7K638 V642K638-I640 PolarHBondContact O-N 2.97Å; I640-V642 PolarHBondContact O-N 3.04Å
641N20.8Very low23.6Very low144 Ų144129.5 Ų129.577%0.7773%0.729SS**  trans-50.6110.1161.9-74.9-16.2000106.3G639 T643G639-N641 PolarHBondContact O-N 3.08Å; N641-T643 PolarHBondContact O-N 3.26Å
642V23Very low23.7Very low127 Ų127127 Ų12777%0.7771%0.713SS**  trans-65.292.6165.6177.30000104.4I640 E644I640-V642 PolarHBondContact O-N 3.04Å; V642-E644 PolarHBondContact O-N 3.29Å; V642-E644 VanDerWaalsContact O-N 3.09Å
643T22.4Very low24.2Very low112 Ų112121.4 Ų121.469%0.68769%0.685SS**  trans-50.9113.5169.540.30000107.7N641 K645N641-T643 PolarHBondContact O-N 3.26Å; T643-K645 PolarHBondContact O-N 2.82Å
644E24.2Very low24.3Very low183 Ų183117.3 Ų117.386%0.85566%0.66SS**  trans17.481.5142.5-67.1172.8167.800112.8V642 N646V642-E644 PolarHBondContact O-N 3.29Å; V642-E644 VanDerWaalsContact O-N 3.09Å; E644-N646 VanDerWaalsContact C-N 3.27Å; E644-N646 PolarHBondContact O-N 3Å; E644-N646 VanDerWaalsContact O-N 3.09Å
645K24.3Very low24.8Very low186 Ų186110.7 Ų110.781%0.80962%0.624SS**  trans-76.690.3161.9-82.2-173.4173.8-177.90106.7T643 D647T643-K645 PolarHBondContact O-N 2.82Å; K645-D647 PolarHBondContact O-N 3.21Å
646N25.7Very low25.5Very low104 Ų104113.5 Ų113.556%0.55661%0.614SS**  trans2469.2157-68.63.2000116.4E644 T648 D649E644-N646 VanDerWaalsContact C-N 3.27Å; E644-N646 PolarHBondContact O-N 3Å; E644-N646 VanDerWaalsContact O-N 3.09Å; N646-T648 WeakPolarHBondContact CB-OG1 3.3Å; N646-T648 PolarHBondContact O-N 2.81Å; N646-D649 PolarHBondContact O-N 3.13Å
647D25.6Very low26Very low134 Ų134108.1 Ų108.172%0.71758%0.58SS**THydrogen-bonded Turntrans-64.7-5.7155.9-72.8-36.4000111.5K645 D649 L651K645-D647 PolarHBondContact O-N 3.21Å; D647-D649 VanDerWaalsContact C-N 3.32Å; D647-D649 PolarHBondContact O-N 3.26Å; D647-L651 PolarHBondContact O-N 2.87Å
648T27Very low26.9Very low74 Ų74105.2 Ų105.245%0.45456%0.555SS.*Hα-helixtrans-64.9-29.5174.149.70000113.7N646 L651 E652N646-T648 WeakPolarHBondContact CB-OG1 3.3Å; N646-T648 PolarHBondContact O-N 2.81Å; T648-L651 WeakPolarHBondContact O-CB 3.21Å; T648-L651 PolarHBondContact O-N 3.36Å; T648-E652 PolarHBondContact O-N 3.23Å
649D27.8Very low28.1Very low106 Ų106100.5 Ų100.557%0.56754%0.535SS*.Hα-helixtrans-74-34.6-176.4-74.9-8000111.6N646 D647 L651 H653N646-D649 PolarHBondContact O-N 3.13Å; D647-D649 VanDerWaalsContact C-N 3.32Å; D647-D649 PolarHBondContact O-N 3.26Å; D649-L651 VanDerWaalsContact C-N 3.32Å; D649-H653 PolarHBondContact O-CD2 3.34Å; D649-H653 PolarHBondContact O-NE2 3.2Å
650L27Very low29.3Very low132 Ų13297.4 Ų97.469%0.69150%0.501SS*.Hα-helixtrans-71.1-29.5172-82.9152.9000112.1H653L650-H653 PolarHBondContact O-N 3.44Å
651L25.9Very low31.1Very low53 Ų5391.3 Ų91.328%0.27747%0.469SS..Hα-helixtrans-74-27.6-171.8-162.770.8000114.2N573 P615 D647 T648 D649 H653N573-L651 HydrophobicContact CB-CD2 3.73Å; N573-L651 HydrophobicContact CB-CG 4.48Å; P615-L651 HydrophobicContact CG-CD1 3.8Å; D647-L651 PolarHBondContact O-N 2.87Å; T648-L651 WeakPolarHBondContact O-CB 3.21Å; T648-L651 PolarHBondContact O-N 3.36Å; D649-L651 VanDerWaalsContact C-N 3.32Å; L651-H653 VanDerWaalsContact C-N 3.29Å
652E27.4Very low32.8Very low105 Ų10585.8 Ų85.849%0.49144%0.439SS..THydrogen-bonded Turntrans-74.8-17.9175.3-79.7-152.1160.500113.3T648T648-E652 PolarHBondContact O-N 3.23Å
653H28.4Very low34.8Very low59 Ų5980.8 Ų80.827%0.27341%0.413SS..THydrogen-bonded Turntrans-86.1-33.2-163.6-66.4-35.2000114.4C411 D649 L650 L651 K655C411-H653 CarbonylContact C-O 3.57Å; C411-H653 WeakPolarHBondContact CA-O 3.37Å; C411-H653 HydrophobicContact CB-CB 4.31Å; C411-H653 WeakPolarHBondContact CB-O 3.33Å; D649-H653 PolarHBondContact O-CD2 3.34Å; D649-H653 PolarHBondContact O-NE2 3.2Å; L650-H653 PolarHBondContact O-N 3.44Å; L651-H653 VanDerWaalsContact C-N 3.29Å; H653-K655 PolarHBondContact O-N 2.78Å
654T26.8Very low37.2Very low48 Ų4881.4 Ų81.429%0.29441%0.408SS..THydrogen-bonded Turntrans-72.4-8.7-172.2-30.50000115.1
655K31.1Very low39.8Very low23 Ų2373 Ų7310%0.137%0.369CS..THydrogen-bonded Turntrans-88.7-4.2-166.8-68.2-171.8171.91760116.5L563 L571 I613 H653L563-K655 HydrophobicContact CD1-CB 4.49Å; L563-K655 WeakPolarHBondContact CD1-O 3.31Å; L563-K655 WeakPolarHBondContact CD2-O 3.36Å; L571-K655 PolarHBondContact O-NZ 3.44Å; I613-K655 HydrophobicContact CB-CG 4.27Å; I613-K655 HydrophobicContact CD1-CB 4.46Å; I613-K655 HydrophobicContact CD1-CG 4.09Å; H653-K655 PolarHBondContact O-N 2.78Å
656R36.4Very low42.7Very low124 Ų12464.2 Ų64.247%0.46833%0.331SS..SBendtrans-115.66.5-157.1-63.5-175.3178162.85.4118.3C411C411-R656 HydrophobicContact CB-CB 3.88Å; C411-R656 HydrophobicContact CB-CG 4.22Å
657G32.5Very low45.4Very low20 Ų2061.9 Ų61.921%0.20632%0.32CS..SBendtrans-135.3-10-174.200000118.7
658I42.8Very low48.1Very low43 Ų4358.7 Ų58.722%0.22131%0.308CS..  trans-100.3104.5-169.1-60.2149.6000110.1I600 S660I600-I658 HydrophobicContact CD1-CB 4.3Å; I600-I658 HydrophobicContact CD1-CD1 3.44Å; I600-I658 VanDerWaalsContact CD1-CD1 3.44Å; I600-I658 HydrophobicContact CD1-CG1 3.71Å; I600-I658 HydrophobicContact CD1-CG2 3.61Å; I658-S660 PolarHBondContact O-N 3.08Å
659K46.8Very low50.8Low103 Ų10357.3 Ų57.345%0.44830%0.295SS..  trans-78.398.2160.7-76.6-175.6-179176.30108H331 Y463 F661H331-K659 HydrophobicContact CB-CD 4.42Å; Y463-K659 HydrophobicContact CE2-CB 4.45Å; Y463-K659 HydrophobicContact CE2-CD 3.9Å; K659-F661 VanDerWaalsContact C-N 3.34Å
660S48.5Very low53.5Low12 Ų1253.4 Ų53.48%0.08427%0.274CS..  trans-939.9176.7-159.60000113.5I658I658-S660 PolarHBondContact O-N 3.08Å
661F57.9Low56.1Low26 Ų2655.7 Ų55.711%0.11428%0.281CS..SBendtrans-102.3141.3-174.8-61.6-65.5000110.5Y463 L563 P565 L569 K659 L796 A799 T800Y463-F661 VanDerWaalsContact CE1-O 3.27Å; Y463-F661 WeakPolarHBondContact CE1-O 3.5Å; Y463-F661 VanDerWaalsContact CZ-O 3.28Å; Y463-F661 PolarHBondContact OH-O 3.32Å; L563-F661 WeakPolarHBondContact O-CD2 3.5Å; L563-F661 WeakPolarHBondContact O-CE2 3.32Å; P565-F661 HydrophobicContact CG-CD1 4.05Å; P565-F661 HydrophobicContact CG-CE1 3.87Å; P565-F661 HydrophobicContact CG-CZ 4.3Å; L569-F661 HydrophobicContact CD2-CE2 3.37Å; L569-F661 HydrophobicContact CD2-CZ 3.39Å; K659-F661 VanDerWaalsContact C-N 3.34Å; F661-L796 HydrophobicContact CE1-CD1 3.72Å; F661-L796 HydrophobicContact CZ-CD1 3.93Å; F661-A799 HydrophobicContact CD1-CB 3.48Å; F661-A799 VanDerWaalsContact CD1-CB 3.48Å; F661-A799 HydrophobicContact CE1-CB 4.03Å; F661-A799 HydrophobicContact CG-CB 4.42Å; F661-T800 HydrophobicContact CD1-CG2 4.26Å; F661-T800 HydrophobicContact CE1-CG2 4.02Å
662M58.5Low59Low28 Ų2854.8 Ų54.814%0.13828%0.279CS..PPolyproline II helixtrans-80.2135.3-173.7-54.4-55.2-53.400112.1M467 I670 A799 R801 F805M467-M662 HydrophobicContact CE-CE 3.86Å; M467-M662 HydrophobicContact CE-SD 3.14Å; M467-M662 WeakPolarHBondContact CE-SD 3.45Å; M467-M662 HydrophobicContact SD-CE 3.28Å; M467-M662 WeakPolarHBondContact SD-CE 3.26Å; M467-M662 HydrophobicContact SD-SD 3.38Å; M662-I670 HydrophobicContact CE-CD1 4.12Å; M662-A799 PolarHBondContact N-O 2.86Å; M662-R801 HydrophobicContact CG-CB 4.17Å; M662-R801 HydrophobicContact CG-CG 4.44Å; M662-F805 HydrophobicContact CB-CE2 4.44Å; M662-F805 HydrophobicContact CE-CD1 3.5Å; M662-F805 VanDerWaalsContact CE-CD1 3.5Å; M662-F805 HydrophobicContact CE-CD2 3.78Å; M662-F805 HydrophobicContact CE-CE1 3.27Å; M662-F805 HydrophobicContact CE-CE2 3.57Å; M662-F805 HydrophobicContact CE-CG 3.75Å; M662-F805 HydrophobicContact CE-CZ 3.31Å; M662-F805 HydrophobicContact CG-CD2 3.91Å; M662-F805 HydrophobicContact CG-CE2 3.82Å; M662-F805 HydrophobicContact CG-CZ 4.47Å; M662-F805 HydrophobicContact SD-CD1 4.34Å; M662-F805 HydrophobicContact SD-CD2 3.89Å; M662-F805 HydrophobicContact SD-CE2 4.11Å; M662-F805 HydrophobicContact SD-CG 4.02Å; M662-F805 HydrophobicContact SD-CZ 4.43Å
663G64.2Low61.8Low21 Ų2151.2 Ų51.222%0.21626%0.262CS..PPolyproline II helixtrans-72.5152160.100000110.9Y463 D665 S666Y463-G663 PolarHBondContact OH-N 3.49Å; G663-D665 PolarHBondContact O-N 3.25Å; G663-S666 WeakPolarHBondContact CA-OG 3.38Å; G663-S666 PolarHBondContact N-OG 3.45Å; G663-S666 VanDerWaalsContact O-CB 3.31Å; G663-S666 WeakPolarHBondContact O-CB 3.35Å; G663-S666 PolarHBondContact O-N 3.34Å; G663-S666 VanDerWaalsContact O-N 3.07Å; G663-S666 PolarHBondContact O-OG 3.36Å
664E72.1Confident64.6Low126 Ų12652.9 Ų52.959%0.58927%0.273SS*.THydrogen-bonded Turntrans-59.5-32.6-176.3-61.5-173.7-17700113.2P243 W315P243-E664 HydrophobicContact CG-CB 4.41Å; W315-E664 HydrophobicContact CH2-CB 3.38Å; W315-E664 HydrophobicContact CH2-CG 4.48Å; W315-E664 WeakPolarHBondContact CH2-OE2 3.48Å; W315-E664 VanDerWaalsContact CZ2-C 3.47Å; W315-E664 HydrophobicContact CZ2-CB 3.64Å; W315-E664 WeakPolarHBondContact CZ2-O 3.34Å; W315-E664 HydrophobicContact CZ3-CB 4.31Å; W315-E664 PolarHBondContact NE1-O 2.99Å
665D80.3Confident67.5Low7 Ų751.3 Ų51.34%0.03726%0.262CS..THydrogen-bonded Turntrans-88.81.317959.7-21.6000114.6P243 W315 G663 V667 S668 R669P243-D665 HydrophobicContact CB-CB 3.89Å; P243-D665 HydrophobicContact CG-CB 4.29Å; P243-D665 WeakPolarHBondContact CG-OD1 3.35Å; W315-D665 HydrophobicContact CB-CB 4.01Å; W315-D665 HydrophobicContact CD2-CB 3.59Å; W315-D665 HydrophobicContact CE3-CB 3.76Å; W315-D665 HydrophobicContact CG-CB 3.71Å; W315-D665 HydrophobicContact CZ3-CB 4.4Å; G663-D665 PolarHBondContact O-N 3.25Å; D665-V667 PolarHBondContact O-N 3.4Å; D665-V667 VanDerWaalsContact O-N 3.12Å; D665-S668 WeakPolarHBondContact O-CB 3.5Å; D665-S668 PolarHBondContact O-N 2.84Å; D665-S668 PolarHBondContact O-OG 3.04Å; D665-R669 IonicContact OD1-NE 3.44Å; D665-R669 IonicContact OD2-CZ 2.67Å; D665-R669 VanDerWaalsContact OD2-CZ 3.23Å; D665-R669 IonicContact OD2-NE 3.34Å; D665-R669 PolarHBondContact OD2-NE 2.89Å; D665-R669 IonicContact OD2-NH2 2.78Å; D665-R669 PolarHBondContact OD2-NH2 3.42Å
666S83.4Confident70.4Confident1 Ų150.6 Ų50.61%0.00726%0.26CS..G310 helixtrans-59.6-29.1-176.8-53.70000112.9H464 G663 S668 R669 I670H464-S666 PolarHBondContact NE2-OG 2.97Å; G663-S666 WeakPolarHBondContact CA-OG 3.38Å; G663-S666 PolarHBondContact N-OG 3.45Å; G663-S666 VanDerWaalsContact O-CB 3.31Å; G663-S666 WeakPolarHBondContact O-CB 3.35Å; G663-S666 PolarHBondContact O-N 3.34Å; G663-S666 VanDerWaalsContact O-N 3.07Å; G663-S666 PolarHBondContact O-OG 3.36Å; S666-S668 PolarHBondContact O-N 2.93Å; S666-R669 PolarHBondContact O-N 3.09Å; S666-I670 PolarHBondContact O-N 2.6Å; S666-I670 VanDerWaalsContact O-N 3.16Å
667V83.9Confident72.9Confident55 Ų5550.7 Ų50.733%0.33326%0.26SS..G310 helixtrans-59-29175.1-179.90000111.9D665 F805D665-V667 PolarHBondContact O-N 3.4Å; D665-V667 VanDerWaalsContact O-N 3.12Å; V667-F805 HydrophobicContact CG2-CE2 4.33Å; V667-F805 HydrophobicContact CG2-CZ 3.67Å
668S82.2Confident75.7Confident66 Ų6652 Ų5246%0.46226%0.262SS..G310 helixtrans-87.4-7179.171.30000114.2D665 S666D665-S668 WeakPolarHBondContact O-CB 3.5Å; D665-S668 PolarHBondContact O-N 2.84Å; D665-S668 PolarHBondContact O-OG 3.04Å; S666-S668 PolarHBondContact O-N 2.93Å
669R82.4Confident78.2Confident46 Ų4650 Ų5017%0.17425%0.252CS..THydrogen-bonded Turntrans-111.6-27-170.8-63.1175.9-178.8-84.64.4112.8D326 G328 D329 D665 S666D326-R669 IonicContact OD1-CZ 3.19Å; D326-R669 IonicContact OD1-NH1 2.76Å; D326-R669 IonicContact OD1-NH2 2.63Å; D326-R669 IonicContact OD2-CZ 3.98Å; D326-R669 IonicContact OD2-NH1 3.78Å; D326-R669 PolarHBondContact OD2-NH1 3.23Å; D326-R669 IonicContact OD2-NH2 3.98Å; D326-R669 PolarHBondContact OD2-NH2 2.75Å; G328-R669 WeakPolarHBondContact O-CD 3.44Å; D329-R669 VanDerWaalsContact OD1-CD 3.3Å; D329-R669 WeakPolarHBondContact OD1-CD 3.39Å; D329-R669 IonicContact OD1-CZ 2.87Å; D329-R669 IonicContact OD1-NE 3.92Å; D329-R669 IonicContact OD1-NH1 3.59Å; D329-R669 PolarHBondContact OD1-NH1 2.78Å; D329-R669 IonicContact OD2-NH1 3.61Å; D329-R669 PolarHBondContact OD2-NH1 3.14Å; D665-R669 IonicContact OD1-NE 3.44Å; D665-R669 IonicContact OD2-CZ 2.67Å; D665-R669 VanDerWaalsContact OD2-CZ 3.23Å; D665-R669 IonicContact OD2-NE 3.34Å; D665-R669 PolarHBondContact OD2-NE 2.89Å; D665-R669 IonicContact OD2-NH2 2.78Å; D665-R669 PolarHBondContact OD2-NH2 3.42Å; S666-R669 PolarHBondContact O-N 3.09Å
670I84.8Confident80.4Confident24 Ų2445.1 Ų45.112%0.12323%0.231CC..SBendtrans-119149.2179.3-46.9156.2000109.7H464 M467 M662 S666 C672 F805H464-I670 HydrophobicContact CB-CD1 3.61Å; H464-I670 HydrophobicContact CB-CG1 3.65Å; H464-I670 WeakPolarHBondContact CD2-CD1 3.49Å; H464-I670 VanDerWaalsContact CG-CG1 3.46Å; M467-I670 HydrophobicContact CB-CD1 3.67Å; M467-I670 HydrophobicContact CB-CG2 4.4Å; M467-I670 HydrophobicContact CG-CD1 4.25Å; M467-I670 HydrophobicContact SD-CD1 3.58Å; M467-I670 VanDerWaalsContact SD-CD1 3.58Å; M662-I670 HydrophobicContact CE-CD1 4.12Å; S666-I670 PolarHBondContact O-N 2.6Å; S666-I670 VanDerWaalsContact O-N 3.16Å; I670-C672 PolarHBondContact O-N 3.28Å; I670-F805 HydrophobicContact CD1-CD1 4.13Å; I670-F805 HydrophobicContact CD1-CE1 4.04Å
671E82.7Confident82.6Confident180 Ų18047 Ų4784%0.84124%0.238SC*.  trans-66.3112164.4-170.9171.6-169.100110
672C85.4Confident84.3Confident34 Ų3448.4 Ų48.423%0.2325%0.247CC..  trans-141.1167.5-179.5610000110.4I670 V804 F805I670-C672 PolarHBondContact O-N 3.28Å; C672-V804 HydrophobicContact CB-CG1 4.18Å; C672-V804 WeakPolarHBondContact CB-O 3.49Å; C672-F805 HydrophobicContact CB-CD1 3.78Å; C672-F805 HydrophobicContact CB-CE1 3.87Å
673L86.4Confident86.1Confident29 Ų2947.1 Ų47.115%0.15224%0.241CC..  trans-74.4131.8-177.4-60.3166.5000111K675 N702 V804L673-K675 VanDerWaalsContact C-N 3.33Å; L673-K675 HydrophobicContact CB-CG 3.92Å; L673-K675 PolarHBondContact O-N 3.28Å; L673-N702 HydrophobicContact CD1-CB 3.57Å; L673-V804 PolarHBondContact N-O 2.92Å; L673-V804 WeakPolarHBondContact O-CG1 3.35Å
674N86.8Confident87.6Confident94 Ų9446.1 Ų46.150%0.50323%0.231SC..  trans-82.775.1173.6-173.237000111D708N674-D708 PolarHBondContact ND2-OD2 3.21Å; N674-D708 WeakPolarHBondContact O-CA 3.45Å; N674-D708 WeakPolarHBondContact O-CB 3.49Å
675K89.6Confident88.7Confident15 Ų1542.6 Ų42.67%0.06521%0.214CC..  trans-97150.2179.9-59.1-60.2-176.1176.70112.5L673 R677 C705 D707 D708 T710 I711 V804L673-K675 VanDerWaalsContact C-N 3.33Å; L673-K675 HydrophobicContact CB-CG 3.92Å; L673-K675 PolarHBondContact O-N 3.28Å; K675-R677 PolarHBondContact O-N 3.04Å; K675-R677 VanDerWaalsContact O-N 3.14Å; K675-C705 PolarHBondContact NZ-O 3.44Å; K675-D707 PolarHBondContact NZ-O 3.47Å; K675-D708 CarbonylContact C-O 3.54Å; K675-D708 WeakPolarHBondContact CA-O 3.31Å; K675-T710 WeakPolarHBondContact CE-O 3.39Å; K675-T710 PolarHBondContact NZ-O 3.14Å; K675-I711 HydrophobicContact CB-CD1 4.24Å; K675-I711 HydrophobicContact CB-CG1 4.12Å; K675-I711 HydrophobicContact CD-CG1 4.37Å; K675-I711 HydrophobicContact CG-CG1 4.2Å; K675-V804 HydrophobicContact CB-CG2 4.13Å
676N90.3Very high89.5Confident9 Ų942.4 Ų42.45%0.04821%0.213CC..  trans-62.2115.7178.4-175.2-41.6000110.6T309 L678 V679 E680 D708 H709T309-N676 WeakPolarHBondContact CG2-ND2 3.13Å; T309-N676 PolarHBondContact OG1-ND2 2.96Å; N676-L678 PolarHBondContact O-N 3.45Å; N676-L678 VanDerWaalsContact O-N 3.15Å; N676-L678 WeakPolarHBondContact OD1-CB 3.45Å; N676-L678 PolarHBondContact OD1-N 3Å; N676-V679 HydrophobicContact CB-CB 4.31Å; N676-V679 HydrophobicContact CB-CG2 3.83Å; N676-V679 WeakPolarHBondContact O-CB 3.47Å; N676-V679 PolarHBondContact O-N 2.91Å; N676-E680 PolarHBondContact O-N 3.12Å; N676-D708 WeakPolarHBondContact CB-O 3.43Å; N676-D708 PolarHBondContact N-O 2.82Å; N676-H709 PolarHBondContact ND2-CD2 2.93Å
677R89.3Confident90.2Very high126 Ų12642.4 Ų42.448%0.47521%0.213SC..Hα-helixtrans-56.2-33.5-177.1-168.5174.8-178.9-176.32.5113.7K675 E680 E681K675-R677 PolarHBondContact O-N 3.04Å; K675-R677 VanDerWaalsContact O-N 3.14Å; R677-E680 PolarHBondContact O-N 3.2Å; R677-E681 HydrophobicContact CG-CG 4.26Å; R677-E681 WeakPolarHBondContact O-CB 3.45Å; R677-E681 WeakPolarHBondContact O-CG 3.48Å; R677-E681 PolarHBondContact O-N 3.45Å
678L92Very high90.8Very high46 Ų4639.8 Ų39.824%0.24120%0.197CC..Hα-helixtrans-69.7-35.4177.6-62177.9000112I307 N676 N682I307-L678 HydrophobicContact CB-CD1 4.38Å; I307-L678 HydrophobicContact CG2-CD1 3.96Å; I307-L678 HydrophobicContact CG2-CD2 4.38Å; N676-L678 PolarHBondContact O-N 3.45Å; N676-L678 VanDerWaalsContact O-N 3.15Å; N676-L678 WeakPolarHBondContact OD1-CB 3.45Å; N676-L678 PolarHBondContact OD1-N 3Å; L678-N682 VanDerWaalsContact O-CB 3.26Å; L678-N682 WeakPolarHBondContact O-CB 3.35Å; L678-N682 PolarHBondContact O-N 3.27Å; L678-N682 VanDerWaalsContact O-N 3.15Å
679V93.8Very high91.5Very high3 Ų336.9 Ų36.92%0.01818%0.176CC..Hα-helixtrans-70-43.1176.3-174.10000109.9N676 L683 I711 V735 R737N676-V679 HydrophobicContact CB-CB 4.31Å; N676-V679 HydrophobicContact CB-CG2 3.83Å; N676-V679 WeakPolarHBondContact O-CB 3.47Å; N676-V679 PolarHBondContact O-N 2.91Å; V679-L683 VanDerWaalsContact O-CB 3.25Å; V679-L683 WeakPolarHBondContact O-CB 3.2Å; V679-L683 PolarHBondContact O-N 2.84Å; V679-I711 HydrophobicContact CB-CD1 4.12Å; V679-I711 HydrophobicContact CG1-CB 4.4Å; V679-I711 HydrophobicContact CG1-CD1 3.84Å; V679-I711 HydrophobicContact CG1-CG1 3.97Å; V679-V735 HydrophobicContact CG1-CG1 3.93Å; V679-R737 HydrophobicContact CG2-CB 4.26Å; V679-R737 HydrophobicContact CG2-CG 3.33Å
680E94.3Very high92.2Very high0 Ų034.7 Ų34.70%017%0.168CC..Hα-helixtrans-56.9-55.9176178.9-176.3-171.700111.6N676 R677 N682 L683 Y684 I711 R801 L803 V804N676-E680 PolarHBondContact O-N 3.12Å; R677-E680 PolarHBondContact O-N 3.2Å; E680-N682 PolarHBondContact O-N 2.87Å; E680-L683 PolarHBondContact O-N 3.42Å; E680-Y684 HydrophobicContact CG-CD2 3.98Å; E680-Y684 HydrophobicContact CG-CE2 3.29Å; E680-Y684 WeakPolarHBondContact O-CD2 3.47Å; E680-Y684 PolarHBondContact O-N 3.45Å; E680-Y684 WeakPolarHBondContact OE1-CE2 3.45Å; E680-Y684 PolarHBondContact OE1-OH 3.33Å; E680-Y684 VanDerWaalsContact OE1-OH 3.06Å; E680-I711 HydrophobicContact CB-CD1 4.02Å; E680-R801 IonicContact OE1-CZ 3.44Å; E680-R801 IonicContact OE1-NE 2.75Å; E680-R801 PolarHBondContact OE1-NE 3.14Å; E680-R801 IonicContact OE1-NH2 2.73Å; E680-R801 IonicContact OE2-CZ 2.72Å; E680-R801 IonicContact OE2-NE 2.93Å; E680-R801 PolarHBondContact OE2-NE 2.79Å; E680-R801 IonicContact OE2-NH2 3.87Å; E680-R801 PolarHBondContact OE2-NH2 3.04Å; E680-L803 HydrophobicContact CG-CD1 4.35Å; E680-V804 HydrophobicContact CG-CG2 4.44Å; E680-V804 WeakPolarHBondContact OE2-CG2 3.29Å
681E93.3Very high92.7Very high50 Ų5033.6 Ų33.623%0.23416%0.162CC..Hα-helixtrans-62.8-42.4-177.5-67-71.3175.200112.2R677 L683 Y684 Q685 Q798R677-E681 HydrophobicContact CG-CG 4.26Å; R677-E681 WeakPolarHBondContact O-CB 3.45Å; R677-E681 WeakPolarHBondContact O-CG 3.48Å; R677-E681 PolarHBondContact O-N 3.45Å; E681-L683 VanDerWaalsContact C-N 3.34Å; E681-L683 PolarHBondContact O-N 2.59Å; E681-Y684 PolarHBondContact O-N 3.43Å; E681-Q685 PolarHBondContact O-N 3.23Å; E681-Q685 VanDerWaalsContact O-N 3.08Å; E681-Q798 PolarHBondContact OE2-NE2 3.03Å
682N93.7Very high93.3Very high56 Ų5625.1 Ų25.130%0.29912%0.123SC..Hα-helixtrans-65.2-41177.8-16734.2000111.3L678 E680 Q685 H686L678-N682 VanDerWaalsContact O-CB 3.26Å; L678-N682 WeakPolarHBondContact O-CB 3.35Å; L678-N682 PolarHBondContact O-N 3.27Å; L678-N682 VanDerWaalsContact O-N 3.15Å; E680-N682 PolarHBondContact O-N 2.87Å; N682-Q685 WeakPolarHBondContact O-CB 3.45Å; N682-Q685 PolarHBondContact O-N 3.03Å; N682-H686 PolarHBondContact O-CD2 3.38Å; N682-H686 PolarHBondContact O-N 2.91Å; N682-H686 VanDerWaalsContact O-N 3.08Å; N682-H686 PolarHBondContact OD1-NE2 3.01Å; N682-H686 VanDerWaalsContact OD1-NE2 3.11Å
683L96.4Very high93.8Very high2 Ų223.5 Ų23.51%0.0111%0.112CC..Hα-helixtrans-64.1-41.5176.9-175.852.5000111.3V679 E680 E681 Q685 H686 M687 I711 V713 V735 F766 L803V679-L683 VanDerWaalsContact O-CB 3.25Å; V679-L683 WeakPolarHBondContact O-CB 3.2Å; V679-L683 PolarHBondContact O-N 2.84Å; E680-L683 PolarHBondContact O-N 3.42Å; E681-L683 VanDerWaalsContact C-N 3.34Å; E681-L683 PolarHBondContact O-N 2.59Å; L683-Q685 VanDerWaalsContact C-N 3.32Å; L683-Q685 PolarHBondContact O-N 3.19Å; L683-H686 PolarHBondContact O-N 3.11Å; L683-M687 HydrophobicContact CD1-CG 4.12Å; L683-M687 HydrophobicContact CD1-SD 4.47Å; L683-M687 HydrophobicContact CG-CG 4.23Å; L683-M687 HydrophobicContact CG-SD 3.98Å; L683-M687 WeakPolarHBondContact O-CB 2.98Å; L683-M687 VanDerWaalsContact O-CG 3.24Å; L683-M687 WeakPolarHBondContact O-CG 3.37Å; L683-M687 PolarHBondContact O-N 2.99Å; L683-I711 HydrophobicContact CD2-CB 4.34Å; L683-I711 HydrophobicContact CD2-CG2 3.83Å; L683-V713 HydrophobicContact CD2-CG1 4.32Å; L683-V735 HydrophobicContact CB-CG1 4.41Å; L683-V735 HydrophobicContact CD1-CG1 4.28Å; L683-V735 HydrophobicContact CD1-CG2 4.05Å; L683-V735 HydrophobicContact CD2-CB 4.17Å; L683-V735 HydrophobicContact CD2-CG1 4.23Å; L683-V735 HydrophobicContact CD2-CG2 4.04Å; L683-F766 HydrophobicContact CD1-CD2 3.94Å; L683-L803 HydrophobicContact CB-CD1 4.05Å; L683-L803 HydrophobicContact CD2-CD1 3.65Å; L683-L803 HydrophobicContact CD2-CD2 4.07Å; L683-L803 HydrophobicContact CG-CD1 3.91Å
684Y97Very high94.3Very high0 Ų022.1 Ų22.10%011%0.105CC..Hα-helixtrans-60.9-38.9174-68.7-39.7000113.2E680 E681 H686 M687 A688 L797 Q798 R801 L802 L803E680-Y684 HydrophobicContact CG-CD2 3.98Å; E680-Y684 HydrophobicContact CG-CE2 3.29Å; E680-Y684 WeakPolarHBondContact O-CD2 3.47Å; E680-Y684 PolarHBondContact O-N 3.45Å; E680-Y684 WeakPolarHBondContact OE1-CE2 3.45Å; E680-Y684 PolarHBondContact OE1-OH 3.33Å; E680-Y684 VanDerWaalsContact OE1-OH 3.06Å; E681-Y684 PolarHBondContact O-N 3.43Å; Y684-H686 VanDerWaalsContact C-N 3.34Å; Y684-H686 PolarHBondContact O-N 3Å; Y684-M687 HydrophobicContact CD1-SD 4.01Å; Y684-M687 PolarHBondContact O-N 3.46Å; Y684-A688 WeakPolarHBondContact O-CB 3.44Å; Y684-A688 PolarHBondContact O-N 2.63Å; Y684-L797 HydrophobicContact CD1-CB 3.57Å; Y684-L797 HydrophobicContact CD1-CD1 4.2Å; Y684-L797 HydrophobicContact CD1-CD2 4.44Å; Y684-L797 HydrophobicContact CD1-CG 4.29Å; Y684-L797 HydrophobicContact CE1-CB 4.1Å; Y684-L797 HydrophobicContact CG-CB 3.89Å; Y684-Q798 HydrophobicContact CD2-CG 4.3Å; Y684-R801 WeakPolarHBondContact OH-CA 3.3Å; Y684-L802 PolarHBondContact OH-N 3.49Å; Y684-L802 VanDerWaalsContact OH-N 3.09Å; Y684-L803 HydrophobicContact CD1-CD1 3.85Å; Y684-L803 HydrophobicContact CD1-CG 4.39Å; Y684-L803 HydrophobicContact CE1-CB 4.32Å; Y684-L803 HydrophobicContact CE1-CD1 3.43Å; Y684-L803 VanDerWaalsContact CE1-CD1 3.43Å; Y684-L803 HydrophobicContact CE1-CG 3.56Å; Y684-L803 HydrophobicContact CE2-CD1 4.49Å; Y684-L803 WeakPolarHBondContact OH-CB 3.44Å; Y684-L803 PolarHBondContact OH-N 3.49Å
685Q95.6Very high94.8Very high51 Ų5117.6 Ų17.624%0.2388%0.081CC..Hα-helixtrans-61.1-44.4175.8-174.8170.636.100111.3E681 N682 L683 L689E681-Q685 PolarHBondContact O-N 3.23Å; E681-Q685 VanDerWaalsContact O-N 3.08Å; N682-Q685 WeakPolarHBondContact O-CB 3.45Å; N682-Q685 PolarHBondContact O-N 3.03Å; L683-Q685 VanDerWaalsContact C-N 3.32Å; L683-Q685 PolarHBondContact O-N 3.19Å; Q685-L689 WeakPolarHBondContact O-CB 3.3Å; Q685-L689 PolarHBondContact O-N 3.42Å
686H96.3Very high95.2Very high4 Ų416.9 Ų16.92%0.0198%0.077CC..Hα-helixtrans-71.8-39177.3-66.4-56.4000113N682 L683 Y684 A688 L689 L690 D765 F766N682-H686 PolarHBondContact O-CD2 3.38Å; N682-H686 PolarHBondContact O-N 2.91Å; N682-H686 VanDerWaalsContact O-N 3.08Å; N682-H686 PolarHBondContact OD1-NE2 3.01Å; N682-H686 VanDerWaalsContact OD1-NE2 3.11Å; L683-H686 PolarHBondContact O-N 3.11Å; Y684-H686 VanDerWaalsContact C-N 3.34Å; Y684-H686 PolarHBondContact O-N 3Å; H686-A688 VanDerWaalsContact C-N 3.3Å; H686-A688 PolarHBondContact O-N 2.83Å; H686-L689 PolarHBondContact O-N 3.29Å; H686-L690 WeakPolarHBondContact O-CB 3.25Å; H686-L690 VanDerWaalsContact O-CG 3.26Å; H686-L690 WeakPolarHBondContact O-CG 3.42Å; H686-L690 PolarHBondContact O-N 3.18Å; H686-D765 IonicContact CE1-OD2 2.81Å; H686-D765 WeakPolarHBondContact NE2-CB 3.42Å; H686-F766 HydrophobicContact CB-CB 3.88Å
687M97.8Very high95.5Very high0 Ų016.5 Ų16.50%08%0.076CC..Hα-helixtrans-57.5-46173.2-74.2171.268.400110.5W472 L474 L683 Y684 L690 S691 F696 L797 L803W472-M687 HydrophobicContact CH2-CE 3.76Å; W472-M687 HydrophobicContact CZ3-CE 3.72Å; L474-M687 HydrophobicContact CD2-CE 4.46Å; L683-M687 HydrophobicContact CD1-CG 4.12Å; L683-M687 HydrophobicContact CD1-SD 4.47Å; L683-M687 HydrophobicContact CG-CG 4.23Å; L683-M687 HydrophobicContact CG-SD 3.98Å; L683-M687 WeakPolarHBondContact O-CB 2.98Å; L683-M687 VanDerWaalsContact O-CG 3.24Å; L683-M687 WeakPolarHBondContact O-CG 3.37Å; L683-M687 PolarHBondContact O-N 2.99Å; Y684-M687 HydrophobicContact CD1-SD 4.01Å; Y684-M687 PolarHBondContact O-N 3.46Å; M687-L690 PolarHBondContact O-N 3.1Å; M687-S691 WeakPolarHBondContact O-CA 3.47Å; M687-S691 WeakPolarHBondContact O-CB 3.49Å; M687-S691 PolarHBondContact O-N 3.02Å; M687-F696 HydrophobicContact CB-CD2 4.28Å; M687-F696 HydrophobicContact CB-CE2 4.08Å; M687-F696 HydrophobicContact CB-CZ 4.19Å; M687-F696 HydrophobicContact CE-CB 3.9Å; M687-F696 HydrophobicContact CE-CG 4.13Å; M687-F696 HydrophobicContact CG-CD1 3.79Å; M687-F696 HydrophobicContact CG-CD2 4.14Å; M687-F696 HydrophobicContact CG-CE1 3.72Å; M687-F696 HydrophobicContact CG-CE2 4.08Å; M687-F696 HydrophobicContact CG-CG 3.98Å; M687-F696 HydrophobicContact CG-CZ 3.84Å; M687-L797 HydrophobicContact CB-CD1 3.79Å; M687-L797 HydrophobicContact CE-CD1 4.22Å; M687-L797 HydrophobicContact CE-CD2 4.08Å; M687-L803 HydrophobicContact SD-CD1 4.38Å; M687-L803 HydrophobicContact SD-CD2 4.49Å
688A96.9Very high95.7Very high0 Ų013.1 Ų13.10%06%0.063CC..Hα-helixtrans-64.1-42.4177.600000112.2Y684 H686 L690 S691 L790 V793 H794Y684-A688 WeakPolarHBondContact O-CB 3.44Å; Y684-A688 PolarHBondContact O-N 2.63Å; H686-A688 VanDerWaalsContact C-N 3.3Å; H686-A688 PolarHBondContact O-N 2.83Å; A688-L690 PolarHBondContact O-N 3.23Å; A688-S691 PolarHBondContact O-OG 2.74Å; A688-L790 VanDerWaalsContact C-CD1 3.48Å; A688-L790 HydrophobicContact CB-CD1 3.77Å; A688-V793 HydrophobicContact CB-CB 4.17Å; A688-V793 HydrophobicContact CB-CG1 3.94Å; A688-H794 HydrophobicContact CB-CB 3.68Å
689L96Very high95.9Very high6 Ų611 Ų113%0.0315%0.052CC..Hα-helixtrans-63.2-38.9177.2-179.260.4000112.9L65 Q69 Q685 H686 P692 Y767 V782 I785 L790L65-L689 HydrophobicContact CD2-CD2 4.05Å; Q69-L689 VanDerWaalsContact NE2-CD1 3.28Å; Q685-L689 WeakPolarHBondContact O-CB 3.3Å; Q685-L689 PolarHBondContact O-N 3.42Å; H686-L689 PolarHBondContact O-N 3.29Å; L689-P692 WeakPolarHBondContact O-CD 2.95Å; L689-Y767 HydrophobicContact CD2-CD2 3.54Å; L689-Y767 HydrophobicContact CD2-CE2 4.17Å; L689-Y767 HydrophobicContact CD2-CG 4.18Å; L689-Y767 HydrophobicContact CG-CD2 4.31Å; L689-V782 HydrophobicContact CD1-CG1 4.06Å; L689-V782 HydrophobicContact CG-CG1 4.02Å; L689-I785 HydrophobicContact CD1-CG2 4.38Å; L689-L790 HydrophobicContact CB-CD1 4.25Å
690L97Very high95.9Very high0 Ų014.4 Ų14.40%06%0.064CC..Hα-helixtrans-93.6-9.9-176.3-59.2174.6000113.3H686 M687 A688 P692 S693 M694 F696 F766 Y767 Y770 V782H686-L690 WeakPolarHBondContact O-CB 3.25Å; H686-L690 VanDerWaalsContact O-CG 3.26Å; H686-L690 WeakPolarHBondContact O-CG 3.42Å; H686-L690 PolarHBondContact O-N 3.18Å; M687-L690 PolarHBondContact O-N 3.1Å; A688-L690 PolarHBondContact O-N 3.23Å; L690-P692 WeakPolarHBondContact O-CD 3.4Å; L690-P692 VanDerWaalsContact O-N 3.09Å; L690-S693 PolarHBondContact O-N 3.48Å; L690-M694 HydrophobicContact CB-CE 3.73Å; L690-M694 HydrophobicContact CB-CG 4.47Å; L690-M694 HydrophobicContact CD1-CE 3.47Å; L690-M694 VanDerWaalsContact CD1-CE 3.47Å; L690-M694 HydrophobicContact CD1-SD 4.47Å; L690-M694 HydrophobicContact CG-CE 4.2Å; L690-M694 PolarHBondContact O-N 2.99Å; L690-F696 HydrophobicContact CB-CE2 4.15Å; L690-F696 HydrophobicContact CB-CZ 4.1Å; L690-F696 HydrophobicContact CD1-CZ 4.37Å; L690-F766 HydrophobicContact CD1-CB 4.11Å; L690-F766 HydrophobicContact CD1-CD1 3.64Å; L690-F766 HydrophobicContact CD1-CG 4.28Å; L690-F766 WeakPolarHBondContact CD1-O 3.4Å; L690-Y767 HydrophobicContact CD2-CD2 4.26Å; L690-Y770 HydrophobicContact CD2-CD1 3.6Å; L690-Y770 HydrophobicContact CD2-CE1 4.43Å; L690-Y770 HydrophobicContact CD2-CG 4.01Å; L690-V782 HydrophobicContact CD2-CG1 4.04Å; L690-V782 HydrophobicContact CD2-CG2 3.87Å
691S96.6Very high95.9Very high0 Ų014.5 Ų14.50%07%0.065CC..THydrogen-bonded Turntrans-55.4-22.6-178.865.70000116.2P476 M687 A688 S693 Y789P476-S691 VanDerWaalsContact CB-O 3.29Å; P476-S691 WeakPolarHBondContact CB-O 3Å; M687-S691 WeakPolarHBondContact O-CA 3.47Å; M687-S691 WeakPolarHBondContact O-CB 3.49Å; M687-S691 PolarHBondContact O-N 3.02Å; A688-S691 PolarHBondContact O-OG 2.74Å; S691-S693 VanDerWaalsContact C-N 3.28Å; S691-Y789 WeakPolarHBondContact CB-OH 3.48Å; S691-Y789 WeakPolarHBondContact OG-CE1 3.33Å; S691-Y789 PolarHBondContact OG-OH 2.9Å
692P94.7Very high95.9Very high2 Ų212.4 Ų12.41%0.0136%0.055CC..THydrogen-bonded Turntrans-68.3-25.5170-23.435.8000114.1P476 L689 L690 W781 I785 Y789P476-P692 VanDerWaalsContact CB-O 3.3Å; P476-P692 WeakPolarHBondContact CB-O 3.47Å; L689-P692 WeakPolarHBondContact O-CD 2.95Å; L690-P692 WeakPolarHBondContact O-CD 3.4Å; L690-P692 VanDerWaalsContact O-N 3.09Å; P692-W781 HydrophobicContact CB-CB 4.26Å; P692-W781 HydrophobicContact CB-CE3 4.5Å; P692-I785 HydrophobicContact CG-CB 4.49Å; P692-I785 HydrophobicContact CG-CD1 3.6Å; P692-I785 HydrophobicContact CG-CG1 3.83Å; P692-Y789 HydrophobicContact CG-CD1 4.49Å; P692-Y789 HydrophobicContact CG-CE1 3.84Å
693S95.5Very high95.7Very high0 Ų013.2 Ų13.20%07%0.065CC..THydrogen-bonded Turntrans-121.3-20-168.4-51.50000114L690 S691 H718 V719 Y770 G778L690-S693 PolarHBondContact O-N 3.48Å; S691-S693 VanDerWaalsContact C-N 3.28Å; S693-H718 CarbonylContact O-C 3.58Å; S693-H718 PolarHBondContact O-N 2.8Å; S693-V719 WeakPolarHBondContact O-CG2 3.33Å; S693-Y770 WeakPolarHBondContact CB-OH 3.33Å; S693-G778 VanDerWaalsContact OG-CA 3.31Å; S693-G778 WeakPolarHBondContact OG-CA 3.48Å; S693-G778 PolarHBondContact OG-O 2.8Å
694M96.5Very high95.4Very high0 Ų017.6 Ų17.60%09%0.086CC..EExtended strand (participates in β ladder)trans-124.6139.7-179.9-62.1-160.2-39.400111.8P476 L690 F696 V716 F766 Y770 F773P476-M694 WeakPolarHBondContact CD-O 3.3Å; L690-M694 HydrophobicContact CB-CE 3.73Å; L690-M694 HydrophobicContact CB-CG 4.47Å; L690-M694 HydrophobicContact CD1-CE 3.47Å; L690-M694 VanDerWaalsContact CD1-CE 3.47Å; L690-M694 HydrophobicContact CD1-SD 4.47Å; L690-M694 HydrophobicContact CG-CE 4.2Å; L690-M694 PolarHBondContact O-N 2.99Å; M694-F696 HydrophobicContact CB-CE2 4.05Å; M694-F696 HydrophobicContact CB-CZ 4.43Å; M694-F696 HydrophobicContact CE-CE1 3.62Å; M694-F696 HydrophobicContact CE-CE2 3.71Å; M694-F696 HydrophobicContact CE-CZ 3.07Å; M694-V716 CarbonylContact C-O 3.59Å; M694-V716 VanDerWaalsContact CA-O 3.26Å; M694-V716 WeakPolarHBondContact CA-O 3.4Å; M694-F766 HydrophobicContact CE-CD1 3.54Å; M694-F766 HydrophobicContact CE-CE1 3.25Å; M694-F766 HydrophobicContact CE-CZ 4.27Å; M694-F766 HydrophobicContact SD-CE1 4.05Å; M694-Y770 HydrophobicContact CG-CD2 3.61Å; M694-Y770 HydrophobicContact CG-CE2 3.62Å; M694-Y770 HydrophobicContact CG-CG 4.26Å; M694-Y770 HydrophobicContact SD-CD2 3.2Å; M694-Y770 WeakPolarHBondContact SD-CD2 3.31Å; M694-Y770 HydrophobicContact SD-CE2 3.86Å; M694-Y770 HydrophobicContact SD-CG 3.76Å; M694-F773 HydrophobicContact SD-CZ 4.08Å
695A97.5Very high95Very high0 Ų018.1 Ų18.10%09%0.089CC..EExtended strand (participates in β ladder)trans-84.4142.6163.800000109.9L474 R475 A715 V716 H718 V725 W730L474-A695 CarbonylContact O-C 3.58Å; L474-A695 WeakPolarHBondContact O-CA 3.38Å; R475-A695 HydrophobicContact CB-CB 4.39Å; R475-A695 HydrophobicContact CG-CB 4.24Å; A695-A715 VanDerWaalsContact O-CA 3.25Å; A695-A715 WeakPolarHBondContact O-CA 3.35Å; A695-V716 HydrophobicContact CB-CG1 4.11Å; A695-V716 PolarHBondContact N-O 3.09Å; A695-V716 PolarHBondContact O-N 2.99Å; A695-H718 HydrophobicContact CB-CB 4.14Å; A695-V725 HydrophobicContact CB-CG2 3.68Å; A695-W730 HydrophobicContact CB-CH2 3.68Å; A695-W730 HydrophobicContact CB-CZ3 4.13Å
696F98.2Very high94.5Very high0 Ų023.6 Ų23.60%011%0.114CC..EExtended strand (participates in β ladder)trans-124141.9173.1-66.1-90.8000109.4W472 E473 L474 M687 L690 M694 V713 T714 A715 F766W472-F696 HydrophobicContact CH2-CB 4.4Å; W472-F696 HydrophobicContact CZ3-CB 4.02Å; E473-F696 CarbonylContact C-O 3.54Å; E473-F696 WeakPolarHBondContact CA-O 3.36Å; L474-F696 HydrophobicContact CB-CB 4.44Å; L474-F696 HydrophobicContact CD2-CD2 4.37Å; L474-F696 PolarHBondContact N-O 2.92Å; L474-F696 PolarHBondContact O-N 2.88Å; M687-F696 HydrophobicContact CB-CD2 4.28Å; M687-F696 HydrophobicContact CB-CE2 4.08Å; M687-F696 HydrophobicContact CB-CZ 4.19Å; M687-F696 HydrophobicContact CE-CB 3.9Å; M687-F696 HydrophobicContact CE-CG 4.13Å; M687-F696 HydrophobicContact CG-CD1 3.79Å; M687-F696 HydrophobicContact CG-CD2 4.14Å; M687-F696 HydrophobicContact CG-CE1 3.72Å; M687-F696 HydrophobicContact CG-CE2 4.08Å; M687-F696 HydrophobicContact CG-CG 3.98Å; M687-F696 HydrophobicContact CG-CZ 3.84Å; L690-F696 HydrophobicContact CB-CE2 4.15Å; L690-F696 HydrophobicContact CB-CZ 4.1Å; L690-F696 HydrophobicContact CD1-CZ 4.37Å; M694-F696 HydrophobicContact CB-CE2 4.05Å; M694-F696 HydrophobicContact CB-CZ 4.43Å; M694-F696 HydrophobicContact CE-CE1 3.62Å; M694-F696 HydrophobicContact CE-CE2 3.71Å; M694-F696 HydrophobicContact CE-CZ 3.07Å; F696-V713 HydrophobicContact CD1-CG2 4.22Å; F696-T714 CarbonylContact C-O 3.49Å; F696-T714 WeakPolarHBondContact CA-O 3.37Å; F696-A715 HydrophobicContact CD1-CB 3.83Å; F696-A715 HydrophobicContact CE1-CB 4.05Å; F696-F766 HydrophobicContact CE1-CD1 4.31Å; F696-F766 HydrophobicContact CE1-CE1 4.02Å; F696-F766 HydrophobicContact CE1-CE2 4.27Å; F696-F766 AromaticContact CE1-CZ 3.98Å; F696-F766 HydrophobicContact CE1-CZ 3.98Å; F696-F766 HydrophobicContact CZ-CD1 4.48Å; F696-F766 HydrophobicContact CZ-CE1 4.44Å
697G96.3Very high94.3Very high1 Ų126.4 Ų26.41%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-134.7164.5178.300000112.4W472 V713 T714W472-G697 VanDerWaalsContact CH2-C 3.5Å; W472-G697 WeakPolarHBondContact CH2-O 3.4Å; W472-G697 WeakPolarHBondContact O-CA 3.34Å; G697-V713 WeakPolarHBondContact O-CG2 3.32Å; G697-T714 VanDerWaalsContact CA-OG1 3.23Å; G697-T714 WeakPolarHBondContact CA-OG1 3.41Å; G697-T714 PolarHBondContact N-O 3.23Å; G697-T714 PolarHBondContact O-N 2.79Å; G697-T714 PolarHBondContact O-OG1 3.3Å
698W95.2Very high93.9Very high55 Ų5529.7 Ų29.721%0.20815%0.147CC..  trans-54.7159168.2174.280.5000112.6Y471 W472 R700 T714 S806Y471-W698 HydrophobicContact CD2-CB 4.19Å; Y471-W698 HydrophobicContact CD2-CE3 4.3Å; W472-W698 HydrophobicContact CD2-CB 4.3Å; W472-W698 HydrophobicContact CG-CB 4.2Å; W472-W698 AromaticContact NE1-CD1 3.74Å; W472-W698 PolarHBondContact O-N 3.43Å; W698-R700 VanDerWaalsContact CH2-CA 3.48Å; W698-R700 HydrophobicContact CH2-CB 3.29Å; W698-R700 VanDerWaalsContact CZ2-CA 3.49Å; W698-R700 HydrophobicContact CZ2-CB 3.85Å; W698-R700 HydrophobicContact CZ3-CB 3.79Å; W698-T714 PolarHBondContact O-OG1 2.68Å; W698-S806 VanDerWaalsContact CD1-CB 3.45Å; W698-S806 VanDerWaalsContact CD1-OG 3.25Å; W698-S806 PolarHBondContact NE1-OXT 2.81Å
699S95.4Very high93.7Very high1 Ų134.1 Ų34.11%0.00717%0.167CC..  trans-143.4127170.5-174.90000111.6W701 N702 I712 E747S699-W701 PolarHBondContact O-N 3.35Å; S699-W701 PolarHBondContact OG-N 2.72Å; S699-N702 PolarHBondContact O-N 3.18Å; S699-N702 PolarHBondContact O-ND2 2.93Å; S699-I712 WeakPolarHBondContact OG-CG2 3.41Å; S699-E747 WeakPolarHBondContact CA-OE1 3.48Å; S699-E747 WeakPolarHBondContact CB-OE2 3.48Å; S699-E747 PolarHBondContact OG-OE1 3.33Å; S699-E747 PolarHBondContact OG-OE2 2.92Å
700R93.3Very high93.6Very high75 Ų7534.6 Ų34.628%0.28317%0.171SC..THydrogen-bonded Turntrans-61.7-25.3174.583.4-166.5-164.592.1-1.1112.6W698 N702 S703 E747 D749W698-R700 VanDerWaalsContact CH2-CA 3.48Å; W698-R700 HydrophobicContact CH2-CB 3.29Å; W698-R700 VanDerWaalsContact CZ2-CA 3.49Å; W698-R700 HydrophobicContact CZ2-CB 3.85Å; W698-R700 HydrophobicContact CZ3-CB 3.79Å; R700-N702 PolarHBondContact O-N 2.73Å; R700-N702 VanDerWaalsContact O-N 3.15Å; R700-S703 PolarHBondContact O-N 2.8Å; R700-E747 WeakPolarHBondContact CB-OE1 3.22Å; R700-E747 VanDerWaalsContact CD-O 3.25Å; R700-E747 WeakPolarHBondContact CD-O 3.29Å; R700-E747 VanDerWaalsContact CG-OE1 3.22Å; R700-E747 WeakPolarHBondContact CG-OE1 3.27Å; R700-E747 PolarHBondContact N-OE1 2.88Å; R700-E747 PolarHBondContact NE-O 2.69Å; R700-D749 PolarHBondContact NH2-O 2.87Å
701W94.6Very high93.5Very high2 Ų234.6 Ų34.61%0.00817%0.171CC..Hα-helixtrans-66.7-14.8-176.6-64.5124.6000112.9S699 S703 E704 C705 I712 M745 K746 E747 D749 Q751 F752S699-W701 PolarHBondContact O-N 3.35Å; S699-W701 PolarHBondContact OG-N 2.72Å; W701-S703 VanDerWaalsContact C-N 3.27Å; W701-S703 PolarHBondContact O-N 2.74Å; W701-E704 HydrophobicContact CE3-CB 4.12Å; W701-E704 HydrophobicContact CE3-CG 4.09Å; W701-E704 HydrophobicContact CZ3-CG 4.35Å; W701-E704 PolarHBondContact O-N 2.81Å; W701-C705 WeakPolarHBondContact O-CB 3.38Å; W701-C705 PolarHBondContact O-N 3.17Å; W701-I712 HydrophobicContact CB-CB 4.15Å; W701-I712 HydrophobicContact CB-CG1 4.21Å; W701-I712 HydrophobicContact CB-CG2 3.83Å; W701-M745 HydrophobicContact CB-CE 4.14Å; W701-M745 HydrophobicContact CD2-CE 3.92Å; W701-M745 HydrophobicContact CD2-SD 4.07Å; W701-M745 HydrophobicContact CG-CE 3.65Å; W701-M745 HydrophobicContact CG-SD 4.38Å; W701-M745 HydrophobicContact CZ2-SD 4.03Å; W701-K746 WeakPolarHBondContact CZ2-O 3.19Å; W701-K746 PolarHBondContact NE1-O 3.3Å; W701-K746 VanDerWaalsContact NE1-O 3.09Å; W701-E747 VanDerWaalsContact CD1-OE2 3.3Å; W701-E747 PolarHBondContact NE1-O 2.69Å; W701-D749 WeakPolarHBondContact CH2-O 3.5Å; W701-D749 HydrophobicContact CZ2-CB 4.14Å; W701-D749 VanDerWaalsContact CZ2-O 3.31Å; W701-D749 WeakPolarHBondContact CZ2-O 3.23Å; W701-Q751 WeakPolarHBondContact CH2-O 3.47Å; W701-F752 HydrophobicContact CB-CD2 3.89Å; W701-F752 HydrophobicContact CB-CE2 4.01Å; W701-F752 AromaticContact CD2-CD2 3.9Å; W701-F752 HydrophobicContact CD2-CD2 3.9Å; W701-F752 HydrophobicContact CE3-CB 3.63Å; W701-F752 AromaticContact CE3-CD2 3.62Å; W701-F752 HydrophobicContact CE3-CD2 3.62Å; W701-F752 HydrophobicContact CE3-CG 4.11Å; W701-F752 HydrophobicContact CG-CD2 4.07Å; W701-F752 HydrophobicContact CZ3-CB 3.59Å; W701-F752 HydrophobicContact CZ3-CD2 4.39Å
702N93.6Very high93.6Very high6 Ų634.7 Ų34.73%0.03217%0.171CC..Hα-helixtrans-63.1-33173.5-75-58.3000113.5L673 S699 R700 I712L673-N702 HydrophobicContact CD1-CB 3.57Å; S699-N702 PolarHBondContact O-N 3.18Å; S699-N702 PolarHBondContact O-ND2 2.93Å; R700-N702 PolarHBondContact O-N 2.73Å; R700-N702 VanDerWaalsContact O-N 3.15Å; N702-I712 PolarHBondContact ND2-O 3.44Å; N702-I712 PolarHBondContact OD1-N 2.75Å; N702-I712 PolarHBondContact OD1-O 2.71Å
703S89Confident93.7Very high72 Ų7234.6 Ų34.650%0.50317%0.171SC..Hα-helixtrans-75.1-32.5177.5-500000112.4R700 W701R700-S703 PolarHBondContact O-N 2.8Å; W701-S703 VanDerWaalsContact C-N 3.27Å; W701-S703 PolarHBondContact O-N 2.74Å
704E90Very high93.8Very high95 Ų9535 Ų3544%0.44417%0.173SC..Hα-helixtrans-83.6-22.7176.4-60.5-64.1156.500112.1W701 H706 F752W701-E704 HydrophobicContact CE3-CB 4.12Å; W701-E704 HydrophobicContact CE3-CG 4.09Å; W701-E704 HydrophobicContact CZ3-CG 4.35Å; W701-E704 PolarHBondContact O-N 2.81Å; E704-H706 PolarHBondContact O-N 2.92Å; E704-H706 VanDerWaalsContact O-N 3.1Å; E704-F752 HydrophobicContact CB-CB 4.05Å; E704-F752 HydrophobicContact CB-CG 4.36Å
705C88.4Confident93.8Very high10 Ų1035 Ų357%0.06817%0.173CC..  trans-80.190.2176.5-176.10000110K675 W701 D707 I712 F752K675-C705 PolarHBondContact NZ-O 3.44Å; W701-C705 WeakPolarHBondContact O-CB 3.38Å; W701-C705 PolarHBondContact O-N 3.17Å; C705-D707 PolarHBondContact O-N 2.91Å; C705-I712 HydrophobicContact CB-CG1 4.11Å; C705-F752 HydrophobicContact CB-CE2 4.14Å; C705-F752 HydrophobicContact CB-CZ 3.93Å
706H86.4Confident93.8Very high166 Ų16635.8 Ų35.877%0.76918%0.178SC*.  trans-71.625176.5-51.2-49000114.6E704E704-H706 PolarHBondContact O-N 2.92Å; E704-H706 VanDerWaalsContact O-N 3.1Å
707D90.6Very high93.7Very high63 Ų6338.5 Ų38.534%0.33719%0.191SC..  trans-112.2115.5171.8178.522000110.2K675 C705 H709 T710K675-D707 PolarHBondContact NZ-O 3.47Å; C705-D707 PolarHBondContact O-N 2.91Å; D707-H709 PolarHBondContact O-N 3.49Å; D707-H709 WeakPolarHBondContact OD1-CB 3.44Å; D707-H709 IonicContact OD1-CG 3.54Å; D707-H709 PolarHBondContact OD1-N 3.25Å; D707-H709 IonicContact OD1-ND1 2.62Å; D707-T710 PolarHBondContact O-N 3.21Å; D707-T710 WeakPolarHBondContact OD2-CB 3.47Å; D707-T710 PolarHBondContact OD2-OG1 3.49Å
708D90Very high93.6Very high70 Ų7039.2 Ų39.237%0.37419%0.193SC..THydrogen-bonded Turntrans-67.3-18.7177.9-67-0.2000111.9N674 K675 N676N674-D708 PolarHBondContact ND2-OD2 3.21Å; N674-D708 WeakPolarHBondContact O-CA 3.45Å; N674-D708 WeakPolarHBondContact O-CB 3.49Å; K675-D708 CarbonylContact C-O 3.54Å; K675-D708 WeakPolarHBondContact CA-O 3.31Å; N676-D708 WeakPolarHBondContact CB-O 3.43Å; N676-D708 PolarHBondContact N-O 2.82Å
709H92.2Very high93.4Very high92 Ų9237.2 Ų37.243%0.42619%0.188SC..THydrogen-bonded Turntrans-91.5-1.3179.6-63.677.4000113.9N676 D707N676-H709 PolarHBondContact ND2-CD2 2.93Å; D707-H709 PolarHBondContact O-N 3.49Å; D707-H709 WeakPolarHBondContact OD1-CB 3.44Å; D707-H709 IonicContact OD1-CG 3.54Å; D707-H709 PolarHBondContact OD1-N 3.25Å; D707-H709 IonicContact OD1-ND1 2.62Å
710T94.2Very high92.9Very high17 Ų1740.4 Ų40.410%0.10420%0.204CC..EExtended strand (participates in β ladder)trans-121127-178.8-62.10000110.5K675 D707 I712 V735 T736K675-T710 WeakPolarHBondContact CE-O 3.39Å; K675-T710 PolarHBondContact NZ-O 3.14Å; D707-T710 PolarHBondContact O-N 3.21Å; D707-T710 WeakPolarHBondContact OD2-CB 3.47Å; D707-T710 PolarHBondContact OD2-OG1 3.49Å; T710-I712 HydrophobicContact CG2-CD1 3.71Å; T710-V735 WeakPolarHBondContact CA-O 3.19Å; T710-T736 HydrophobicContact CG2-CG2 4.32Å; T710-T736 WeakPolarHBondContact OG1-CG2 3.39Å
711I96.4Very high92.5Very high0 Ų041.8 Ų41.80%021%0.214CC..EExtended strand (participates in β ladder)trans-108129.7170.6-60.2-179000107.8K675 V679 E680 L683 V735 L803K675-I711 HydrophobicContact CB-CD1 4.24Å; K675-I711 HydrophobicContact CB-CG1 4.12Å; K675-I711 HydrophobicContact CD-CG1 4.37Å; K675-I711 HydrophobicContact CG-CG1 4.2Å; V679-I711 HydrophobicContact CB-CD1 4.12Å; V679-I711 HydrophobicContact CG1-CB 4.4Å; V679-I711 HydrophobicContact CG1-CD1 3.84Å; V679-I711 HydrophobicContact CG1-CG1 3.97Å; E680-I711 HydrophobicContact CB-CD1 4.02Å; L683-I711 HydrophobicContact CD2-CB 4.34Å; L683-I711 HydrophobicContact CD2-CG2 3.83Å; I711-V735 PolarHBondContact N-O 3.1Å; I711-V735 PolarHBondContact O-N 3.25Å; I711-L803 HydrophobicContact CD1-CD1 4.28Å; I711-L803 HydrophobicContact CG2-CB 4.36Å; I711-L803 HydrophobicContact CG2-CD1 4.41Å; I711-L803 HydrophobicContact CG2-CD2 3.92Å; I711-L803 HydrophobicContact CG2-CG 4.45Å
712I96.8Very high92Very high2 Ų243.8 Ų43.81%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-99.4132.6173.5-49.7-59.9000108.5S699 W701 N702 C705 T710 V732 Y733 L743 F752S699-I712 WeakPolarHBondContact OG-CG2 3.41Å; W701-I712 HydrophobicContact CB-CB 4.15Å; W701-I712 HydrophobicContact CB-CG1 4.21Å; W701-I712 HydrophobicContact CB-CG2 3.83Å; N702-I712 PolarHBondContact ND2-O 3.44Å; N702-I712 PolarHBondContact OD1-N 2.75Å; N702-I712 PolarHBondContact OD1-O 2.71Å; C705-I712 HydrophobicContact CB-CG1 4.11Å; T710-I712 HydrophobicContact CG2-CD1 3.71Å; I712-V732 HydrophobicContact CG2-CG1 3.37Å; I712-Y733 WeakPolarHBondContact CA-O 3.35Å; I712-L743 HydrophobicContact CD1-CD1 4.19Å; I712-F752 HydrophobicContact CD1-CE2 4.32Å; I712-F752 HydrophobicContact CD1-CZ 4.47Å; I712-F752 HydrophobicContact CG1-CE2 4.27Å
713V97Very high91.7Very high0 Ų048.6 Ų48.60%025%0.249CC..EExtended strand (participates in β ladder)trans-139.8145.1179.567.80000109.7W472 L683 F696 G697 Y733 V735 F766 L803W472-V713 HydrophobicContact CH2-CG2 3.91Å; W472-V713 HydrophobicContact CZ2-CG2 4.47Å; L683-V713 HydrophobicContact CD2-CG1 4.32Å; F696-V713 HydrophobicContact CD1-CG2 4.22Å; G697-V713 WeakPolarHBondContact O-CG2 3.32Å; V713-Y733 PolarHBondContact N-O 2.85Å; V713-Y733 PolarHBondContact O-N 3.43Å; V713-V735 HydrophobicContact CG1-CG2 4.17Å; V713-F766 HydrophobicContact CG1-CE2 3.92Å; V713-L803 HydrophobicContact CG2-CD2 4.49Å
714T97.6Very high91.7Very high7 Ų749.2 Ų49.24%0.04325%0.253CS..EExtended strand (participates in β ladder)trans-91.1137.2169.5560000109.5F696 G697 W698 K731 V732 E747F696-T714 CarbonylContact C-O 3.49Å; F696-T714 WeakPolarHBondContact CA-O 3.37Å; G697-T714 VanDerWaalsContact CA-OG1 3.23Å; G697-T714 WeakPolarHBondContact CA-OG1 3.41Å; G697-T714 PolarHBondContact N-O 3.23Å; G697-T714 PolarHBondContact O-N 2.79Å; G697-T714 PolarHBondContact O-OG1 3.3Å; W698-T714 PolarHBondContact O-OG1 2.68Å; T714-K731 CarbonylContact C-O 3.43Å; T714-K731 VanDerWaalsContact CA-O 3.29Å; T714-K731 WeakPolarHBondContact CA-O 3.39Å; T714-V732 HydrophobicContact CG2-CG2 4.3Å; T714-E747 HydrophobicContact CG2-CB 4.25Å; T714-E747 HydrophobicContact CG2-CG 4.23Å; T714-E747 WeakPolarHBondContact CG2-OE2 3.49Å
715A97.5Very high91.7Very high1 Ų145.4 Ų45.41%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-148.6153.1178.200000111.8A695 F696 K731 Y733 F766A695-A715 VanDerWaalsContact O-CA 3.25Å; A695-A715 WeakPolarHBondContact O-CA 3.35Å; F696-A715 HydrophobicContact CD1-CB 3.83Å; F696-A715 HydrophobicContact CE1-CB 4.05Å; A715-K731 PolarHBondContact N-O 2.89Å; A715-K731 PolarHBondContact O-N 2.8Å; A715-Y733 HydrophobicContact CB-CD2 3.83Å; A715-Y733 HydrophobicContact CB-CE2 3.79Å; A715-F766 HydrophobicContact CB-CE1 4.21Å; A715-F766 HydrophobicContact CB-CZ 3.69Å
716V96.5Very high91.8Very high16 Ų1649.2 Ų49.210%0.09726%0.256CS..EExtended strand (participates in β ladder)trans-157.4149.6175.5630000110.7M694 A695 V725 S729 W730M694-V716 CarbonylContact C-O 3.59Å; M694-V716 VanDerWaalsContact CA-O 3.26Å; M694-V716 WeakPolarHBondContact CA-O 3.4Å; A695-V716 HydrophobicContact CB-CG1 4.11Å; A695-V716 PolarHBondContact N-O 3.09Å; A695-V716 PolarHBondContact O-N 2.99Å; V716-V725 HydrophobicContact CG1-CG1 3.43Å; V716-V725 VanDerWaalsContact CG1-CG1 3.43Å; V716-V725 HydrophobicContact CG1-CG2 4.24Å; V716-S729 WeakPolarHBondContact CG2-O 3.5Å; V716-W730 HydrophobicContact CB-CE3 4.35Å; V716-W730 HydrophobicContact CG1-CD2 4.15Å; V716-W730 HydrophobicContact CG1-CE3 3.8Å; V716-W730 HydrophobicContact CG1-CH2 4.35Å; V716-W730 HydrophobicContact CG1-CZ3 3.91Å
717E96Very high92Very high58 Ų5848.3 Ų48.327%0.27125%0.252SS..EExtended strand (participates in β ladder)trans-68.5130.1171.4-177.7165.6-135.700110.6V719 Y770 C775E717-V719 HydrophobicContact CG-CG2 3.78Å; E717-Y770 HydrophobicContact CB-CE2 4.43Å; E717-Y770 HydrophobicContact CG-CE2 4.25Å; E717-Y770 PolarHBondContact OE1-OH 3.3Å; E717-C775 PolarHBondContact OE1-N 3.07Å; E717-C775 PolarHBondContact OE1-SG 3.49Å; E717-C775 PolarHBondContact OE2-N 3.06Å
718H94.5Very high92Very high15 Ų1553.1 Ų53.17%0.06927%0.273CS..  trans-145.671.7-177.1-166.679.5000109.8P476 S693 A695 H721 D723P476-H718 HydrophobicContact CG-CB 3.92Å; P476-H718 WeakPolarHBondContact CG-O 3.44Å; S693-H718 CarbonylContact O-C 3.58Å; S693-H718 PolarHBondContact O-N 2.8Å; A695-H718 HydrophobicContact CB-CB 4.14Å; H718-H721 WeakPolarHBondContact NE2-CB 3.06Å; H718-H721 PolarHBondContact NE2-O 3.37Å; H718-D723 PolarHBondContact CE1-O 3.48Å; H718-D723 VanDerWaalsContact CE1-O 3.22Å; H718-D723 PolarHBondContact NE2-O 2.87Å
719V90.9Very high92.1Very high14 Ų1452.3 Ų52.39%0.08527%0.273CS..  trans-96.3129.9-173.2-178.50000110.3S693 E717 H721 E777 W781S693-V719 WeakPolarHBondContact O-CG2 3.33Å; E717-V719 HydrophobicContact CG-CG2 3.78Å; V719-H721 VanDerWaalsContact C-N 3.26Å; V719-H721 PolarHBondContact O-CD2 3.23Å; V719-H721 PolarHBondContact O-N 2.98Å; V719-H721 PolarHBondContact O-NE2 3.3Å; V719-E777 HydrophobicContact CG1-CB 4.39Å; V719-E777 HydrophobicContact CG1-CG 3.89Å; V719-W781 HydrophobicContact CG1-CD2 4.15Å; V719-W781 HydrophobicContact CG1-CE3 3.97Å; V719-W781 HydrophobicContact CG1-CH2 4.01Å; V719-W781 HydrophobicContact CG1-CZ2 4.15Å; V719-W781 HydrophobicContact CG1-CZ3 3.91Å
720D85Confident92.3Very high67 Ų6750 Ų5036%0.35826%0.26SS..SBendtrans57.529.2174.4-147.338.8000115.9P478 W781P478-D720 WeakPolarHBondContact CB-OD1 3.29Å; D720-W781 HydrophobicContact CB-CH2 3.58Å; D720-W781 HydrophobicContact CB-CZ2 3.97Å; D720-W781 WeakPolarHBondContact OD1-CH2 3.21Å
721H85.2Confident92.4Very high104 Ų10453 Ų5348%0.48127%0.272SS..  trans-111.1134176.1-66.9-63000111.2P478 H718 V719P478-H721 WeakPolarHBondContact CD-O 3.26Å; H718-H721 WeakPolarHBondContact NE2-CB 3.06Å; H718-H721 PolarHBondContact NE2-O 3.37Å; V719-H721 VanDerWaalsContact C-N 3.26Å; V719-H721 PolarHBondContact O-CD2 3.23Å; V719-H721 PolarHBondContact O-N 2.98Å; V719-H721 PolarHBondContact O-NE2 3.3Å
722E83.3Confident92.5Very high45 Ų4553.1 Ų53.121%0.2127%0.272CS..  trans-84.4-30.1173.3-68-163.9159.200112.1R475 P478 T488 S491R475-E722 PolarHBondContact NH1-O 2.96Å; R475-E722 PolarHBondContact NH2-O 3.32Å; P478-E722 HydrophobicContact CG-CG 3.53Å; T488-E722 PolarHBondContact OG1-OE1 3.21Å; S491-E722 WeakPolarHBondContact CB-OE2 3.33Å; S491-E722 PolarHBondContact OG-OE2 3.34Å; S491-E722 VanDerWaalsContact OG-OE2 3.06Å
723D87.8Confident92.5Very high107 Ų10753 Ų5357%0.57227%0.272SS*.SBendtrans-68.1164.7-171.9-54.7-46.1000113.1R475 H718R475-D723 PolarHBondContact NH1-O 3.08Å; H718-D723 PolarHBondContact CE1-O 3.48Å; H718-D723 VanDerWaalsContact CE1-O 3.22Å; H718-D723 PolarHBondContact NE2-O 2.87Å
724S89.1Confident92.5Very high85 Ų8553.6 Ų53.659%0.59428%0.276SS*.PPolyproline II helixtrans-62.8153.2170.757.30000111.6D726S724-D726 PolarHBondContact O-N 3.35Å
725V91.1Very high92.4Very high14 Ų1453.6 Ų53.69%0.08528%0.276CS..PPolyproline II helixtrans-65.8134171.6-178.30000109.7R475 A695 V716 W730R475-V725 HydrophobicContact CG-CG2 4.28Å; A695-V725 HydrophobicContact CB-CG2 3.68Å; V716-V725 HydrophobicContact CG1-CG1 3.43Å; V716-V725 VanDerWaalsContact CG1-CG1 3.43Å; V716-V725 HydrophobicContact CG1-CG2 4.24Å; V725-W730 HydrophobicContact CB-CH2 4.48Å; V725-W730 HydrophobicContact CB-CZ2 3.61Å; V725-W730 HydrophobicContact CG1-CD2 3.99Å; V725-W730 VanDerWaalsContact CG1-CE2 3.43Å; V725-W730 HydrophobicContact CG1-CG 4.35Å; V725-W730 HydrophobicContact CG1-CH2 4.46Å; V725-W730 HydrophobicContact CG1-CZ2 3.71Å; V725-W730 HydrophobicContact CG2-CH2 4.16Å; V725-W730 HydrophobicContact CG2-CZ2 3.72Å
726D90.7Very high92.3Very high91 Ų9155 Ų5549%0.48728%0.284SS..PPolyproline II helixtrans-65.5132.417317278.3000111.4S724 E728 S729S724-D726 PolarHBondContact O-N 3.35Å; D726-E728 PolarHBondContact O-N 3.39Å; D726-E728 WeakPolarHBondContact OD2-CB 3.46Å; D726-E728 PolarHBondContact OD2-N 2.94Å; D726-E728 VanDerWaalsContact OD2-N 3.14Å; D726-S729 WeakPolarHBondContact O-CB 3.29Å; D726-S729 PolarHBondContact O-N 3.48Å; D726-S729 PolarHBondContact OD2-N 3.07Å; D726-S729 PolarHBondContact OD2-OG 3.22Å
727E88.8Confident92Very high146 Ų14656.6 Ų56.668%0.68229%0.288SS*.G310 helixtrans-59.9-32.2-173.6-69.8-176.3-179.600113S729E727-S729 VanDerWaalsContact C-N 3.29Å; E727-S729 PolarHBondContact O-N 3.4Å
728E90.7Very high91.7Very high165 Ų16560.4 Ų60.477%0.77130%0.304SS*.G310 helixtrans-79.4-14.2-179.5-57.9-173.3172.300113D726D726-E728 PolarHBondContact O-N 3.39Å; D726-E728 WeakPolarHBondContact OD2-CB 3.46Å; D726-E728 PolarHBondContact OD2-N 2.94Å; D726-E728 VanDerWaalsContact OD2-N 3.14Å
729S93.6Very high91.7Very high53 Ų5363.1 Ų63.137%0.37132%0.316SS..G310 helixtrans-85.2-18.9-175.4-61.50000113.4V716 D726 E727 K731V716-S729 WeakPolarHBondContact CG2-O 3.5Å; D726-S729 WeakPolarHBondContact O-CB 3.29Å; D726-S729 PolarHBondContact O-N 3.48Å; D726-S729 PolarHBondContact OD2-N 3.07Å; D726-S729 PolarHBondContact OD2-OG 3.22Å; E727-S729 VanDerWaalsContact C-N 3.29Å; E727-S729 PolarHBondContact O-N 3.4Å; S729-K731 PolarHBondContact O-N 3.09Å
730W96.3Very high91.9Very high42 Ų4262.6 Ų62.616%0.15931%0.312CS..  trans-62.6132.8177.8-71.3105000112.1E473 A695 V716 V725E473-W730 HydrophobicContact CG-CH2 4.29Å; E473-W730 HydrophobicContact CG-CZ2 4.33Å; A695-W730 HydrophobicContact CB-CH2 3.68Å; A695-W730 HydrophobicContact CB-CZ3 4.13Å; V716-W730 HydrophobicContact CB-CE3 4.35Å; V716-W730 HydrophobicContact CG1-CD2 4.15Å; V716-W730 HydrophobicContact CG1-CE3 3.8Å; V716-W730 HydrophobicContact CG1-CH2 4.35Å; V716-W730 HydrophobicContact CG1-CZ3 3.91Å; V725-W730 HydrophobicContact CB-CH2 4.48Å; V725-W730 HydrophobicContact CB-CZ2 3.61Å; V725-W730 HydrophobicContact CG1-CD2 3.99Å; V725-W730 VanDerWaalsContact CG1-CE2 3.43Å; V725-W730 HydrophobicContact CG1-CG 4.35Å; V725-W730 HydrophobicContact CG1-CH2 4.46Å; V725-W730 HydrophobicContact CG1-CZ2 3.71Å; V725-W730 HydrophobicContact CG2-CH2 4.16Å; V725-W730 HydrophobicContact CG2-CZ2 3.72Å
731K96.2Very high92.4Very high82 Ų8260.9 Ų60.936%0.35730%0.302SS..EExtended strand (participates in β ladder)trans-114.1145.9173.5-64.8172.1179.6-179.20109.9T714 A715 S729 Y733 Q742T714-K731 CarbonylContact C-O 3.43Å; T714-K731 VanDerWaalsContact CA-O 3.29Å; T714-K731 WeakPolarHBondContact CA-O 3.39Å; A715-K731 PolarHBondContact N-O 2.89Å; A715-K731 PolarHBondContact O-N 2.8Å; S729-K731 PolarHBondContact O-N 3.09Å; K731-Y733 HydrophobicContact CB-CD2 4.43Å; K731-Y733 HydrophobicContact CB-CE2 3.62Å; K731-Y733 WeakPolarHBondContact O-CD2 3.34Å; K731-Q742 HydrophobicContact CB-CG 4.46Å
732V97Very high93Very high1 Ų156.8 Ų56.81%0.00628%0.284CS..EExtended strand (participates in β ladder)trans-95.9132.6179.3-172.70000109.9I712 T714 L743 M745 E747I712-V732 HydrophobicContact CG2-CG1 3.37Å; T714-V732 HydrophobicContact CG2-CG2 4.3Å; V732-L743 HydrophobicContact CB-CB 4.5Å; V732-L743 HydrophobicContact CG1-CD1 4.17Å; V732-L743 PolarHBondContact O-N 2.94Å; V732-M745 HydrophobicContact CG1-CE 4.07Å; V732-M745 WeakPolarHBondContact CG2-O 3.36Å; V732-E747 HydrophobicContact CG2-CB 4.41Å
733Y97.4Very high93.6Very high1 Ų154.9 Ų54.90%0.00428%0.275CS..EExtended strand (participates in β ladder)trans-124.1136.7179.3-64.9-92.9000111.1I712 V713 A715 K731 V740 Q741 Q742 F766 M769I712-Y733 WeakPolarHBondContact CA-O 3.35Å; V713-Y733 PolarHBondContact N-O 2.85Å; V713-Y733 PolarHBondContact O-N 3.43Å; A715-Y733 HydrophobicContact CB-CD2 3.83Å; A715-Y733 HydrophobicContact CB-CE2 3.79Å; K731-Y733 HydrophobicContact CB-CD2 4.43Å; K731-Y733 HydrophobicContact CB-CE2 3.62Å; K731-Y733 WeakPolarHBondContact O-CD2 3.34Å; Y733-V740 HydrophobicContact CD1-CG1 4.43Å; Y733-Q741 CarbonylContact C-O 3.55Å; Y733-Q741 VanDerWaalsContact CA-O 3.3Å; Y733-Q741 WeakPolarHBondContact CA-O 3.25Å; Y733-Q742 HydrophobicContact CD1-CB 3.93Å; Y733-Q742 HydrophobicContact CD1-CG 4.23Å; Y733-Q742 HydrophobicContact CE1-CB 3.69Å; Y733-Q742 HydrophobicContact CE1-CG 3.84Å; Y733-F766 HydrophobicContact CD1-CE2 4.38Å; Y733-F766 HydrophobicContact CD1-CZ 4.06Å; Y733-F766 HydrophobicContact CD2-CE2 4.41Å; Y733-F766 AromaticContact CD2-CZ 3.82Å; Y733-F766 HydrophobicContact CD2-CZ 3.82Å; Y733-F766 HydrophobicContact CE1-CZ 4.43Å; Y733-F766 HydrophobicContact CE2-CZ 4.21Å; Y733-F766 AromaticContact CG-CE2 3.99Å; Y733-F766 HydrophobicContact CG-CE2 3.99Å; Y733-F766 AromaticContact CG-CZ 3.74Å; Y733-F766 HydrophobicContact CG-CZ 3.74Å; Y733-M769 HydrophobicContact CE1-CG 4.26Å
734S96.4Very high93.9Very high11 Ų1155.8 Ų55.88%0.07728%0.276CS..EExtended strand (participates in β ladder)trans-97126.1167.463.40000110.1V740 Q741S734-V740 WeakPolarHBondContact O-CA 3.47Å; S734-Q741 PolarHBondContact N-O 3.5Å; S734-Q741 PolarHBondContact O-N 2.86Å; S734-Q741 PolarHBondContact OG-O 3.28Å
735V96.6Very high94.1Very high7 Ų752.2 Ų52.24%0.04225%0.25CC..EExtended strand (participates in β ladder)trans-116.5120.7-179.8-178.40000108.5V679 L683 T710 I711 V713 V740 F766V679-V735 HydrophobicContact CG1-CG1 3.93Å; L683-V735 HydrophobicContact CB-CG1 4.41Å; L683-V735 HydrophobicContact CD1-CG1 4.28Å; L683-V735 HydrophobicContact CD1-CG2 4.05Å; L683-V735 HydrophobicContact CD2-CB 4.17Å; L683-V735 HydrophobicContact CD2-CG1 4.23Å; L683-V735 HydrophobicContact CD2-CG2 4.04Å; T710-V735 WeakPolarHBondContact CA-O 3.19Å; I711-V735 PolarHBondContact N-O 3.1Å; I711-V735 PolarHBondContact O-N 3.25Å; V713-V735 HydrophobicContact CG1-CG2 4.17Å; V735-V740 HydrophobicContact CB-CG2 4.5Å; V735-V740 HydrophobicContact CG1-CG2 4.09Å; V735-V740 HydrophobicContact CG2-CG1 4.23Å; V735-V740 HydrophobicContact CG2-CG2 4.19Å; V735-F766 HydrophobicContact CG2-CD2 3.97Å; V735-F766 HydrophobicContact CG2-CE2 4.14Å
736T94.3Very high94.2Very high30 Ų3057.5 Ų57.518%0.18427%0.271CS..EExtended strand (participates in β ladder)trans-119176.4173.967.70000109.4T710 K738 K739T710-T736 HydrophobicContact CG2-CG2 4.32Å; T710-T736 WeakPolarHBondContact OG1-CG2 3.39Å; T736-K738 PolarHBondContact O-N 2.85Å; T736-K738 PolarHBondContact OG1-N 3.16Å; T736-K739 PolarHBondContact N-O 3.38Å; T736-K739 WeakPolarHBondContact OG1-CG 3.49Å; T736-K739 PolarHBondContact OG1-N 3.28Å; T736-K739 PolarHBondContact OG1-O 2.91Å
737R91.4Very high94.3Very high50 Ų5053.9 Ų53.919%0.18925%0.252CS..SBendtrans-57-34.2170.5-72.5-167.661.6-169.8-2.8112.7R55 E304 I307 V679R55-R737 VanDerWaalsContact CZ-O 3.32Å; R55-R737 PolarHBondContact NH1-O 3.4Å; R55-R737 PolarHBondContact NH2-O 3.5Å; E304-R737 PolarHBondContact O-NH2 3.39Å; I307-R737 VanDerWaalsContact O-CZ 3.29Å; I307-R737 PolarHBondContact O-NH1 3.09Å; I307-R737 PolarHBondContact O-NH2 3.07Å; V679-R737 HydrophobicContact CG2-CB 4.26Å; V679-R737 HydrophobicContact CG2-CG 3.33Å
738K90.4Very high94.4Very high138 Ų13855.4 Ų55.460%0.625%0.252SS*.SBendtrans-100.9-24.1-167-68.8-171.4177.9-175.40114.8R55 T736R55-K738 VanDerWaalsContact CZ-CA 3.44Å; R55-K738 VanDerWaalsContact NH1-CA 3.33Å; R55-K738 PolarHBondContact NH1-O 3.35Å; T736-K738 PolarHBondContact O-N 2.85Å; T736-K738 PolarHBondContact OG1-N 3.16Å
739K92.9Very high94.5Very high72 Ų7250.6 Ų50.631%0.31323%0.232SC..  trans-160.2152.4-173.755.5-179.5179.6163.50112.6T736 Q741 F762 H763T736-K739 PolarHBondContact N-O 3.38Å; T736-K739 WeakPolarHBondContact OG1-CG 3.49Å; T736-K739 PolarHBondContact OG1-N 3.28Å; T736-K739 PolarHBondContact OG1-O 2.91Å; K739-Q741 HydrophobicContact CD-CG 4.12Å; K739-Q741 HydrophobicContact CG-CG 4.36Å; K739-F762 HydrophobicContact CB-CB 4.49Å; K739-F762 HydrophobicContact CB-CD2 4.07Å; K739-H763 CarbonylContact C-O 3.48Å; K739-H763 WeakPolarHBondContact CA-O 3.22Å
740V96.2Very high94.4Very high3 Ų356.9 Ų56.92%0.01826%0.255CS..EExtended strand (participates in β ladder)trans-111.2133.2165.9-179.60000107.9Y733 S734 V735 F762 H763 F766 M769Y733-V740 HydrophobicContact CD1-CG1 4.43Å; S734-V740 WeakPolarHBondContact O-CA 3.47Å; V735-V740 HydrophobicContact CB-CG2 4.5Å; V735-V740 HydrophobicContact CG1-CG2 4.09Å; V735-V740 HydrophobicContact CG2-CG1 4.23Å; V735-V740 HydrophobicContact CG2-CG2 4.19Å; V740-F762 WeakPolarHBondContact O-CA 3.29Å; V740-H763 PolarHBondContact N-O 3.11Å; V740-H763 PolarHBondContact O-N 3.13Å; V740-H763 VanDerWaalsContact O-N 3.14Å; V740-F766 HydrophobicContact CG1-CD2 3.74Å; V740-F766 HydrophobicContact CG1-CE2 4.03Å; V740-F766 HydrophobicContact CG1-CG 4.28Å; V740-F766 HydrophobicContact CG2-CB 4.46Å; V740-F766 HydrophobicContact CG2-CD2 4.42Å; V740-M769 HydrophobicContact CB-CE 4.38Å; V740-M769 HydrophobicContact CG1-CB 4.42Å; V740-M769 HydrophobicContact CG1-CE 4.14Å; V740-M769 HydrophobicContact CG1-CG 4.34Å; V740-M769 WeakPolarHBondContact O-CE 3.41Å
741Q95.5Very high94.2Very high32 Ų3262.2 Ų62.215%0.1528%0.282CS..EExtended strand (participates in β ladder)trans-137.5139.1179.7-55.1-171.5-91.600109.8Y733 S734 K739 S756 F762Y733-Q741 CarbonylContact C-O 3.55Å; Y733-Q741 VanDerWaalsContact CA-O 3.3Å; Y733-Q741 WeakPolarHBondContact CA-O 3.25Å; S734-Q741 PolarHBondContact N-O 3.5Å; S734-Q741 PolarHBondContact O-N 2.86Å; S734-Q741 PolarHBondContact OG-O 3.28Å; K739-Q741 HydrophobicContact CD-CG 4.12Å; K739-Q741 HydrophobicContact CG-CG 4.36Å; Q741-S756 VanDerWaalsContact CD-OG 3.29Å; Q741-S756 PolarHBondContact NE2-OG 3.42Å; Q741-S756 PolarHBondContact OE1-OG 3.47Å; Q741-F762 HydrophobicContact CG-CB 3.63Å
742Q96.4Very high94.1Very high18 Ų1861.2 Ų61.28%0.08428%0.278CS..EExtended strand (participates in β ladder)trans-76.6133.7165.9-166.8-169.7-38.700108.6K731 Y733 S756 N757 Q760K731-Q742 HydrophobicContact CB-CG 4.46Å; Y733-Q742 HydrophobicContact CD1-CB 3.93Å; Y733-Q742 HydrophobicContact CD1-CG 4.23Å; Y733-Q742 HydrophobicContact CE1-CB 3.69Å; Y733-Q742 HydrophobicContact CE1-CG 3.84Å; Q742-S756 CarbonylContact O-C 3.57Å; Q742-S756 WeakPolarHBondContact O-CA 3.24Å; Q742-N757 HydrophobicContact CB-CB 4.31Å; Q742-N757 HydrophobicContact CG-CB 4.47Å; Q742-N757 PolarHBondContact NE2-ND2 3.46Å; Q742-N757 VanDerWaalsContact NE2-ND2 3.14Å; Q742-N757 PolarHBondContact O-N 2.91Å; Q742-Q760 HydrophobicContact CB-CB 4.18Å; Q742-Q760 HydrophobicContact CB-CG 4.18Å
743L96.1Very high93.8Very high4 Ų462.8 Ų62.82%0.02129%0.289CS..BIsolated β-bridgetrans-89154.4173.8-58.1-176.9000110.6I712 V732 M745 I755I712-L743 HydrophobicContact CD1-CD1 4.19Å; V732-L743 HydrophobicContact CB-CB 4.5Å; V732-L743 HydrophobicContact CG1-CD1 4.17Å; V732-L743 PolarHBondContact O-N 2.94Å; L743-M745 VanDerWaalsContact C-N 3.32Å; L743-M745 HydrophobicContact CB-CG 4.07Å; L743-M745 HydrophobicContact CD1-CE 3.36Å; L743-M745 HydrophobicContact CD1-CG 4.49Å; L743-I755 WeakPolarHBondContact CA-O 3.19Å
744E94.8Very high93.5Very high127 Ų12767.2 Ų67.259%0.59332%0.318SS*.SBendtrans-72.8-30175.9-173.5175.3-161.700111.8I755E744-I755 PolarHBondContact N-O 2.91Å
745M93.6Very high93.3Very high10 Ų1071.1 Ų71.15%0.04934%0.337CS..SBendtrans-70.9154.3-178.167.6175.3-177.800113.1W701 V732 L743 D749 F752 S753W701-M745 HydrophobicContact CB-CE 4.14Å; W701-M745 HydrophobicContact CD2-CE 3.92Å; W701-M745 HydrophobicContact CD2-SD 4.07Å; W701-M745 HydrophobicContact CG-CE 3.65Å; W701-M745 HydrophobicContact CG-SD 4.38Å; W701-M745 HydrophobicContact CZ2-SD 4.03Å; V732-M745 HydrophobicContact CG1-CE 4.07Å; V732-M745 WeakPolarHBondContact CG2-O 3.36Å; L743-M745 VanDerWaalsContact C-N 3.32Å; L743-M745 HydrophobicContact CB-CG 4.07Å; L743-M745 HydrophobicContact CD1-CE 3.36Å; L743-M745 HydrophobicContact CD1-CG 4.49Å; M745-D749 VanDerWaalsContact CA-OD2 3.26Å; M745-D749 WeakPolarHBondContact CA-OD2 3.33Å; M745-D749 WeakPolarHBondContact CB-OD2 3.06Å; M745-F752 HydrophobicContact CE-CD2 3.43Å; M745-F752 VanDerWaalsContact CE-CD2 3.43Å; M745-F752 HydrophobicContact CE-CE2 3.39Å; M745-F752 HydrophobicContact CE-CZ 4.44Å; M745-F752 HydrophobicContact SD-CD2 4Å; M745-F752 HydrophobicContact SD-CE2 4.46Å; M745-S753 PolarHBondContact SD-N 2.89Å; M745-S753 VanDerWaalsContact SD-O 3.4Å
746K94Very high93.1Very high124 Ų12472.7 Ų72.754%0.53935%0.348SS..  trans-94.8164.4169.6-59-173.4175.9-167.90111W701 Y748 D749W701-K746 WeakPolarHBondContact CZ2-O 3.19Å; W701-K746 PolarHBondContact NE1-O 3.3Å; W701-K746 VanDerWaalsContact NE1-O 3.09Å; K746-Y748 VanDerWaalsContact C-N 3.26Å; K746-Y748 PolarHBondContact O-N 2.86Å; K746-D749 PolarHBondContact N-OD2 3.45Å; K746-D749 PolarHBondContact O-N 3.39Å
747E92.3Very high92.9Very high16 Ų1672.6 Ų72.68%0.07535%0.347CS..THydrogen-bonded Turntrans-59.3-37179.5-174.954.6-150.100112.5S699 R700 W701 T714 V732S699-E747 WeakPolarHBondContact CA-OE1 3.48Å; S699-E747 WeakPolarHBondContact CB-OE2 3.48Å; S699-E747 PolarHBondContact OG-OE1 3.33Å; S699-E747 PolarHBondContact OG-OE2 2.92Å; R700-E747 WeakPolarHBondContact CB-OE1 3.22Å; R700-E747 VanDerWaalsContact CD-O 3.25Å; R700-E747 WeakPolarHBondContact CD-O 3.29Å; R700-E747 VanDerWaalsContact CG-OE1 3.22Å; R700-E747 WeakPolarHBondContact CG-OE1 3.27Å; R700-E747 PolarHBondContact N-OE1 2.88Å; R700-E747 PolarHBondContact NE-O 2.69Å; W701-E747 VanDerWaalsContact CD1-OE2 3.3Å; W701-E747 PolarHBondContact NE1-O 2.69Å; T714-E747 HydrophobicContact CG2-CB 4.25Å; T714-E747 HydrophobicContact CG2-CG 4.23Å; T714-E747 WeakPolarHBondContact CG2-OE2 3.49Å; V732-E747 HydrophobicContact CG2-CB 4.41Å
748Y91Very high92.7Very high177 Ų17775.4 Ų75.469%0.69437%0.371SS*.THydrogen-bonded Turntrans-100.511.8-176.5-56.2-69.2000114.9K746K746-Y748 VanDerWaalsContact C-N 3.26Å; K746-Y748 PolarHBondContact O-N 2.86Å
749D92.9Very high92.6Very high65 Ų6575.4 Ų75.435%0.34838%0.378SS..  trans-63.6155174.4-74.7-11.3000110.9R700 W701 M745 K746 Q751R700-D749 PolarHBondContact NH2-O 2.87Å; W701-D749 WeakPolarHBondContact CH2-O 3.5Å; W701-D749 HydrophobicContact CZ2-CB 4.14Å; W701-D749 VanDerWaalsContact CZ2-O 3.31Å; W701-D749 WeakPolarHBondContact CZ2-O 3.23Å; M745-D749 VanDerWaalsContact CA-OD2 3.26Å; M745-D749 WeakPolarHBondContact CA-OD2 3.33Å; M745-D749 WeakPolarHBondContact CB-OD2 3.06Å; K746-D749 PolarHBondContact N-OD2 3.45Å; K746-D749 PolarHBondContact O-N 3.39Å; D749-Q751 PolarHBondContact O-N 2.86Å
750E91.6Very high92.3Very high184 Ų18473.5 Ų73.586%0.8637%0.37SS*.SBendtrans-70.3-31.1-171.6-65.1-177.4174.300114.5
751Q91.2Very high92Very high154 Ų15476.6 Ų76.672%0.7239%0.39SS*.SBendtrans-131.2142.8-172.2-66178.420.200111.5W701 D749 S753W701-Q751 WeakPolarHBondContact CH2-O 3.47Å; D749-Q751 PolarHBondContact O-N 2.86Å; Q751-S753 PolarHBondContact O-N 3.19Å
752F93.1Very high91.8Very high62 Ų6277 Ų7727%0.27239%0.391SS..  trans-68.3125.8175.5179.3-104.6000110W701 E704 C705 I712 M745 P754W701-F752 HydrophobicContact CB-CD2 3.89Å; W701-F752 HydrophobicContact CB-CE2 4.01Å; W701-F752 AromaticContact CD2-CD2 3.9Å; W701-F752 HydrophobicContact CD2-CD2 3.9Å; W701-F752 HydrophobicContact CE3-CB 3.63Å; W701-F752 AromaticContact CE3-CD2 3.62Å; W701-F752 HydrophobicContact CE3-CD2 3.62Å; W701-F752 HydrophobicContact CE3-CG 4.11Å; W701-F752 HydrophobicContact CG-CD2 4.07Å; W701-F752 HydrophobicContact CZ3-CB 3.59Å; W701-F752 HydrophobicContact CZ3-CD2 4.39Å; E704-F752 HydrophobicContact CB-CB 4.05Å; E704-F752 HydrophobicContact CB-CG 4.36Å; C705-F752 HydrophobicContact CB-CE2 4.14Å; C705-F752 HydrophobicContact CB-CZ 3.93Å; I712-F752 HydrophobicContact CD1-CE2 4.32Å; I712-F752 HydrophobicContact CD1-CZ 4.47Å; I712-F752 HydrophobicContact CG1-CE2 4.27Å; M745-F752 HydrophobicContact CE-CD2 3.43Å; M745-F752 VanDerWaalsContact CE-CD2 3.43Å; M745-F752 HydrophobicContact CE-CE2 3.39Å; M745-F752 HydrophobicContact CE-CZ 4.44Å; M745-F752 HydrophobicContact SD-CD2 4Å; M745-F752 HydrophobicContact SD-CE2 4.46Å; F752-P754 HydrophobicContact CE1-CB 4.08Å; F752-P754 HydrophobicContact CE1-CG 4.37Å; F752-P754 HydrophobicContact CZ-CB 4.36Å
753S92.2Very high91.7Very high33 Ų3376.9 Ų76.923%0.23139%0.391CS..  trans-128.2112.2177.7-177.70000110.2M745 Q751 I755M745-S753 PolarHBondContact SD-N 2.89Å; M745-S753 VanDerWaalsContact SD-O 3.4Å; Q751-S753 PolarHBondContact O-N 3.19Å; S753-I755 PolarHBondContact O-N 3.42Å; S753-I755 WeakPolarHBondContact OG-CD1 3.45Å; S753-I755 VanDerWaalsContact OG-CG1 3.32Å; S753-I755 WeakPolarHBondContact OG-CG1 3.12Å
754P90.2Very high91.6Very high94 Ų9476.9 Ų76.961%0.6139%0.391SS*.  trans-78.419177.633.9-36.1000112.9F752 S756F752-P754 HydrophobicContact CE1-CB 4.08Å; F752-P754 HydrophobicContact CE1-CG 4.37Å; F752-P754 HydrophobicContact CZ-CB 4.36Å; P754-S756 PolarHBondContact O-N 2.93Å
755I92.8Very high91.5Very high93 Ų9370.9 Ų70.948%0.47736%0.363SS..PPolyproline II helixtrans-76.4120.7-178.7-61.1173.7000109.1L743 E744 S753L743-I755 WeakPolarHBondContact CA-O 3.19Å; E744-I755 PolarHBondContact N-O 2.91Å; S753-I755 PolarHBondContact O-N 3.42Å; S753-I755 WeakPolarHBondContact OG-CD1 3.45Å; S753-I755 VanDerWaalsContact OG-CG1 3.32Å; S753-I755 WeakPolarHBondContact OG-CG1 3.12Å
756S91.3Very high91.5Very high40 Ų4070.5 Ų70.528%0.2836%0.361SS..BIsolated β-bridgetrans-71.4143.5174.9-470000111.1Q741 Q742 P754 P758Q741-S756 VanDerWaalsContact CD-OG 3.29Å; Q741-S756 PolarHBondContact NE2-OG 3.42Å; Q741-S756 PolarHBondContact OE1-OG 3.47Å; Q742-S756 CarbonylContact O-C 3.57Å; Q742-S756 WeakPolarHBondContact O-CA 3.24Å; P754-S756 PolarHBondContact O-N 2.93Å; S756-P758 WeakPolarHBondContact O-CD 3.39Å
757N91.1Very high91.6Very high29 Ų2965.9 Ų65.916%0.15534%0.341CS..PPolyproline II helixtrans-64.6120.1175.6-177.9-12.6000110Q742 N759 Q760Q742-N757 HydrophobicContact CB-CB 4.31Å; Q742-N757 HydrophobicContact CG-CB 4.47Å; Q742-N757 PolarHBondContact NE2-ND2 3.46Å; Q742-N757 VanDerWaalsContact NE2-ND2 3.14Å; Q742-N757 PolarHBondContact O-N 2.91Å; N757-N759 PolarHBondContact O-N 2.99Å; N757-N759 VanDerWaalsContact O-N 3.12Å; N757-N759 WeakPolarHBondContact OD1-CB 3.25Å; N757-N759 PolarHBondContact OD1-N 2.92Å; N757-N759 PolarHBondContact OD1-ND2 3.36Å; N757-Q760 PolarHBondContact O-N 3.31Å
758P87.4Confident91.7Very high108 Ų10865.8 Ų65.870%0.70134%0.34SS*.THydrogen-bonded Turntrans-66.1-16.3-177.327.4-36000113.7S756S756-P758 WeakPolarHBondContact O-CD 3.39Å
759N88.1Confident91.9Very high139 Ų13957.3 Ų57.374%0.74331%0.307SS*.THydrogen-bonded Turntrans-86.2-13.2-179.7-59.9-44.8000113.5N757N757-N759 PolarHBondContact O-N 2.99Å; N757-N759 VanDerWaalsContact O-N 3.12Å; N757-N759 WeakPolarHBondContact OD1-CB 3.25Å; N757-N759 PolarHBondContact OD1-N 2.92Å; N757-N759 PolarHBondContact OD1-ND2 3.36Å
760Q87.4Confident92.1Very high32 Ų3254.2 Ų54.215%0.1529%0.29CS..SBendtrans-117.9119.1-177.4-167.566.132.700109.5Q742 N757 M769 D772Q742-Q760 HydrophobicContact CB-CB 4.18Å; Q742-Q760 HydrophobicContact CB-CG 4.18Å; N757-Q760 PolarHBondContact O-N 3.31Å; Q760-M769 HydrophobicContact CG-CE 4.41Å; Q760-M769 HydrophobicContact CG-SD 3.65Å; Q760-D772 PolarHBondContact NE2-OD2 3.49Å
761P89.2Confident92.2Very high68 Ų6847 Ų4744%0.44226%0.257SS..  trans-63.6155.2174.927.7-33.3000110.7M769P761-M769 VanDerWaalsContact O-CE 3.29Å; P761-M769 WeakPolarHBondContact O-CE 3.29Å
762F91.3Very high92.3Very high40 Ų4043.6 Ų43.618%0.17524%0.244CC..  trans-76155.2167.975.2-88.5000109.4D51 I54 K739 V740 Q741D51-F762 HydrophobicContact CB-CE1 4.33Å; D51-F762 HydrophobicContact CB-CE2 4Å; D51-F762 HydrophobicContact CB-CZ 3.53Å; D51-F762 WeakPolarHBondContact OD1-CE1 3.33Å; D51-F762 WeakPolarHBondContact OD1-CZ 3.46Å; I54-F762 HydrophobicContact CD1-CZ 4.27Å; K739-F762 HydrophobicContact CB-CB 4.49Å; K739-F762 HydrophobicContact CB-CD2 4.07Å; V740-F762 WeakPolarHBondContact O-CA 3.29Å; Q741-F762 HydrophobicContact CG-CB 3.63Å
763H94.7Very high92.3Very high16 Ų1643 Ų437%0.07424%0.241CC..BIsolated β-bridgetrans-132.4161.6172.8-69.1-86.8000110.1E58 K739 V740 D765 H768 M769 D772E58-H763 IonicContact OE1-CE1 2.83Å; E58-H763 IonicContact OE1-CG 3.86Å; E58-H763 IonicContact OE1-ND1 3.93Å; E58-H763 PolarHBondContact OE1-ND1 3.05Å; E58-H763 WeakPolarHBondContact OE2-CA 3.39Å; E58-H763 IonicContact OE2-ND1 3.19Å; K739-H763 CarbonylContact C-O 3.48Å; K739-H763 WeakPolarHBondContact CA-O 3.22Å; V740-H763 PolarHBondContact N-O 3.11Å; V740-H763 PolarHBondContact O-N 3.13Å; V740-H763 VanDerWaalsContact O-N 3.14Å; H763-D765 VanDerWaalsContact C-N 3.27Å; H763-D765 PolarHBondContact O-N 2.83Å; H763-H768 HydrophobicContact CB-CB 3.99Å; H763-M769 HydrophobicContact CB-CB 4.08Å; H763-M769 HydrophobicContact CB-CE 4.42Å; H763-M769 VanDerWaalsContact CD2-CA 3.46Å; H763-M769 WeakPolarHBondContact CD2-CA 3.28Å; H763-D772 IonicContact NE2-OD2 2.82Å
764A92.6Very high92.3Very high3 Ų341.8 Ų41.83%0.02523%0.234CC..SBendtrans-63.3-34.5178.700000112.9R55 E58 L59R55-A764 HydrophobicContact CB-CB 4.28Å; R55-A764 HydrophobicContact CG-CB 3.95Å; R55-A764 PolarHBondContact NH1-O 3.09Å; E58-A764 HydrophobicContact CB-CB 3.84Å; E58-A764 VanDerWaalsContact OE2-CB 3.29Å; E58-A764 WeakPolarHBondContact OE2-CB 3.12Å; E58-A764 PolarHBondContact OE2-N 3.38Å; L59-A764 HydrophobicContact CD2-CB 4.24Å; L59-A764 HydrophobicContact CG-CB 4.15Å
765D93.3Very high92.6Very high2 Ų239.7 Ų39.71%0.01122%0.221CC..SBendtrans-148.1170.9-176.761.846.4000112.4T62 H686 H763 Y767 H768 M769T62-D765 WeakPolarHBondContact CB-OD2 3.28Å; T62-D765 PolarHBondContact OG1-OD2 3.49Å; H686-D765 IonicContact CE1-OD2 2.81Å; H686-D765 WeakPolarHBondContact NE2-CB 3.42Å; H763-D765 VanDerWaalsContact C-N 3.27Å; H763-D765 PolarHBondContact O-N 2.83Å; D765-Y767 VanDerWaalsContact C-N 3.27Å; D765-Y767 PolarHBondContact O-N 3.29Å; D765-Y767 WeakPolarHBondContact OD1-CA 3.33Å; D765-Y767 WeakPolarHBondContact OD1-CB 3.49Å; D765-Y767 PolarHBondContact OD1-N 2.91Å; D765-Y767 VanDerWaalsContact OD1-N 3.09Å; D765-H768 IonicContact OD1-CE1 2.74Å; D765-H768 IonicContact OD1-CG 3.18Å; D765-H768 PolarHBondContact OD1-N 3.34Å; D765-H768 IonicContact OD1-ND1 2.8Å; D765-H768 PolarHBondContact OD1-ND1 3.39Å; D765-H768 IonicContact OD2-CE1 3.65Å; D765-H768 IonicContact OD2-ND1 3.58Å; D765-H768 PolarHBondContact OD2-ND1 2.96Å; D765-M769 PolarHBondContact O-N 3.49Å
766F94.7Very high92.7Very high1 Ų142.1 Ų42.10%0.00423%0.23CC..Hα-helixtrans-71.1-26.5-177.2-139.8-68.6000111.9L683 H686 L690 M694 F696 V713 A715 Y733 V735 V740 Y770L683-F766 HydrophobicContact CD1-CD2 3.94Å; H686-F766 HydrophobicContact CB-CB 3.88Å; L690-F766 HydrophobicContact CD1-CB 4.11Å; L690-F766 HydrophobicContact CD1-CD1 3.64Å; L690-F766 HydrophobicContact CD1-CG 4.28Å; L690-F766 WeakPolarHBondContact CD1-O 3.4Å; M694-F766 HydrophobicContact CE-CD1 3.54Å; M694-F766 HydrophobicContact CE-CE1 3.25Å; M694-F766 HydrophobicContact CE-CZ 4.27Å; M694-F766 HydrophobicContact SD-CE1 4.05Å; F696-F766 HydrophobicContact CE1-CD1 4.31Å; F696-F766 HydrophobicContact CE1-CE1 4.02Å; F696-F766 HydrophobicContact CE1-CE2 4.27Å; F696-F766 AromaticContact CE1-CZ 3.98Å; F696-F766 HydrophobicContact CE1-CZ 3.98Å; F696-F766 HydrophobicContact CZ-CD1 4.48Å; F696-F766 HydrophobicContact CZ-CE1 4.44Å; V713-F766 HydrophobicContact CG1-CE2 3.92Å; A715-F766 HydrophobicContact CB-CE1 4.21Å; A715-F766 HydrophobicContact CB-CZ 3.69Å; Y733-F766 HydrophobicContact CD1-CE2 4.38Å; Y733-F766 HydrophobicContact CD1-CZ 4.06Å; Y733-F766 HydrophobicContact CD2-CE2 4.41Å; Y733-F766 AromaticContact CD2-CZ 3.82Å; Y733-F766 HydrophobicContact CD2-CZ 3.82Å; Y733-F766 HydrophobicContact CE1-CZ 4.43Å; Y733-F766 HydrophobicContact CE2-CZ 4.21Å; Y733-F766 AromaticContact CG-CE2 3.99Å; Y733-F766 HydrophobicContact CG-CE2 3.99Å; Y733-F766 AromaticContact CG-CZ 3.74Å; Y733-F766 HydrophobicContact CG-CZ 3.74Å; V735-F766 HydrophobicContact CG2-CD2 3.97Å; V735-F766 HydrophobicContact CG2-CE2 4.14Å; V740-F766 HydrophobicContact CG1-CD2 3.74Å; V740-F766 HydrophobicContact CG1-CE2 4.03Å; V740-F766 HydrophobicContact CG1-CG 4.28Å; V740-F766 HydrophobicContact CG2-CB 4.46Å; V740-F766 HydrophobicContact CG2-CD2 4.42Å; F766-Y770 PolarHBondContact O-N 2.97Å
767Y95.3Very high92.8Very high27 Ų2743.8 Ų43.811%0.10623%0.233CC..Hα-helixtrans-64.5-50.4178.6168.9-94.8000110.8L65 L689 L690 D765 Y770 M771 V782L65-Y767 HydrophobicContact CD2-CD2 4.14Å; L65-Y767 HydrophobicContact CD2-CE1 4.1Å; L65-Y767 HydrophobicContact CD2-CE2 3.55Å; L689-Y767 HydrophobicContact CD2-CD2 3.54Å; L689-Y767 HydrophobicContact CD2-CE2 4.17Å; L689-Y767 HydrophobicContact CD2-CG 4.18Å; L689-Y767 HydrophobicContact CG-CD2 4.31Å; L690-Y767 HydrophobicContact CD2-CD2 4.26Å; D765-Y767 VanDerWaalsContact C-N 3.27Å; D765-Y767 PolarHBondContact O-N 3.29Å; D765-Y767 WeakPolarHBondContact OD1-CA 3.33Å; D765-Y767 WeakPolarHBondContact OD1-CB 3.49Å; D765-Y767 PolarHBondContact OD1-N 2.91Å; D765-Y767 VanDerWaalsContact OD1-N 3.09Å; Y767-Y770 PolarHBondContact O-N 2.96Å; Y767-M771 HydrophobicContact CD1-CG 4.25Å; Y767-M771 HydrophobicContact CD2-CE 3.87Å; Y767-M771 HydrophobicContact CD2-CG 4.27Å; Y767-M771 HydrophobicContact CE1-CG 3.85Å; Y767-M771 HydrophobicContact CE2-CE 3.26Å; Y767-M771 HydrophobicContact CE2-CG 3.9Å; Y767-M771 HydrophobicContact CE2-SD 4.24Å; Y767-M771 HydrophobicContact CG-CG 4.44Å; Y767-M771 VanDerWaalsContact O-CG 3.25Å; Y767-M771 WeakPolarHBondContact O-CG 3.3Å; Y767-M771 PolarHBondContact O-N 2.76Å; Y767-V782 HydrophobicContact CD2-CG1 4.25Å; Y767-V782 HydrophobicContact CE2-CG1 3.95Å
768H95.2Very high92.9Very high14 Ų1442.4 Ų42.47%0.06523%0.226CC..Hα-helixtrans-64.7-41177.6-73.187.5000112.1E58 E61 T62 H763 D765 Y770 M771 D772E58-H768 VanDerWaalsContact C-CE1 3.48Å; E58-H768 HydrophobicContact CG-CB 4.29Å; E58-H768 PolarHBondContact O-CE1 3.38Å; E58-H768 PolarHBondContact O-NE2 3.49Å; E61-H768 IonicContact OE2-NE2 3.81Å; T62-H768 PolarHBondContact OG1-CE1 3.04Å; T62-H768 PolarHBondContact OG1-ND1 3.37Å; H763-H768 HydrophobicContact CB-CB 3.99Å; D765-H768 IonicContact OD1-CE1 2.74Å; D765-H768 IonicContact OD1-CG 3.18Å; D765-H768 PolarHBondContact OD1-N 3.34Å; D765-H768 IonicContact OD1-ND1 2.8Å; D765-H768 PolarHBondContact OD1-ND1 3.39Å; D765-H768 IonicContact OD2-CE1 3.65Å; D765-H768 IonicContact OD2-ND1 3.58Å; D765-H768 PolarHBondContact OD2-ND1 2.96Å; H768-Y770 VanDerWaalsContact C-N 3.31Å; H768-Y770 PolarHBondContact O-N 2.87Å; H768-M771 PolarHBondContact O-N 2.77Å; H768-M771 VanDerWaalsContact O-N 3.13Å; H768-D772 PolarHBondContact O-N 2.96Å
769M95Very high93.3Very high0 Ų038.5 Ų38.50%020%0.198CC..Hα-helixtrans-53.4-48.7172.4-18066.274.200111.3Y733 V740 Q760 P761 H763 D765 D772 F773Y733-M769 HydrophobicContact CE1-CG 4.26Å; V740-M769 HydrophobicContact CB-CE 4.38Å; V740-M769 HydrophobicContact CG1-CB 4.42Å; V740-M769 HydrophobicContact CG1-CE 4.14Å; V740-M769 HydrophobicContact CG1-CG 4.34Å; V740-M769 WeakPolarHBondContact O-CE 3.41Å; Q760-M769 HydrophobicContact CG-CE 4.41Å; Q760-M769 HydrophobicContact CG-SD 3.65Å; P761-M769 VanDerWaalsContact O-CE 3.29Å; P761-M769 WeakPolarHBondContact O-CE 3.29Å; H763-M769 HydrophobicContact CB-CB 4.08Å; H763-M769 HydrophobicContact CB-CE 4.42Å; H763-M769 VanDerWaalsContact CD2-CA 3.46Å; H763-M769 WeakPolarHBondContact CD2-CA 3.28Å; D765-M769 PolarHBondContact O-N 3.49Å; M769-D772 PolarHBondContact O-N 3.35Å; M769-F773 HydrophobicContact CG-CD1 4.3Å; M769-F773 HydrophobicContact CG-CE1 3.96Å; M769-F773 WeakPolarHBondContact O-CD1 3.32Å; M769-F773 WeakPolarHBondContact O-CE1 3.49Å; M769-F773 PolarHBondContact O-N 3.43Å; M769-F773 HydrophobicContact SD-CD1 4.47Å
770Y95.5Very high93.5Very high0 Ų037.6 Ų37.60%018%0.184CC..Hα-helixtrans-68.6-37.8177179-108.2000113.1L690 S693 M694 E717 F766 Y767 H768 D772 F773 G774 G778 K779 V782L690-Y770 HydrophobicContact CD2-CD1 3.6Å; L690-Y770 HydrophobicContact CD2-CE1 4.43Å; L690-Y770 HydrophobicContact CD2-CG 4.01Å; S693-Y770 WeakPolarHBondContact CB-OH 3.33Å; M694-Y770 HydrophobicContact CG-CD2 3.61Å; M694-Y770 HydrophobicContact CG-CE2 3.62Å; M694-Y770 HydrophobicContact CG-CG 4.26Å; M694-Y770 HydrophobicContact SD-CD2 3.2Å; M694-Y770 WeakPolarHBondContact SD-CD2 3.31Å; M694-Y770 HydrophobicContact SD-CE2 3.86Å; M694-Y770 HydrophobicContact SD-CG 3.76Å; E717-Y770 HydrophobicContact CB-CE2 4.43Å; E717-Y770 HydrophobicContact CG-CE2 4.25Å; E717-Y770 PolarHBondContact OE1-OH 3.3Å; F766-Y770 PolarHBondContact O-N 2.97Å; Y767-Y770 PolarHBondContact O-N 2.96Å; H768-Y770 VanDerWaalsContact C-N 3.31Å; H768-Y770 PolarHBondContact O-N 2.87Å; Y770-D772 PolarHBondContact O-N 3.27Å; Y770-F773 HydrophobicContact CD2-CE1 4.46Å; Y770-F773 AromaticContact CD2-CE2 3.88Å; Y770-F773 HydrophobicContact CD2-CE2 3.88Å; Y770-F773 AromaticContact CD2-CZ 3.79Å; Y770-F773 HydrophobicContact CD2-CZ 3.79Å; Y770-F773 HydrophobicContact CE2-CE2 4.27Å; Y770-F773 PolarHBondContact O-N 2.99Å; Y770-G774 WeakPolarHBondContact O-CA 3.43Å; Y770-G774 PolarHBondContact O-N 2.93Å; Y770-G778 WeakPolarHBondContact OH-CA 3.49Å; Y770-K779 HydrophobicContact CE1-CG 4.42Å; Y770-V782 HydrophobicContact CD1-CG2 4.24Å; Y770-V782 HydrophobicContact CE1-CG2 3.84Å
771M94.5Very high93.7Very high33 Ų3336.5 Ų36.516%0.16318%0.179CC..Hα-helixtrans-66.1-21178.7-70.1-61.7152.700113.1Y767 H768 K779 V782Y767-M771 HydrophobicContact CD1-CG 4.25Å; Y767-M771 HydrophobicContact CD2-CE 3.87Å; Y767-M771 HydrophobicContact CD2-CG 4.27Å; Y767-M771 HydrophobicContact CE1-CG 3.85Å; Y767-M771 HydrophobicContact CE2-CE 3.26Å; Y767-M771 HydrophobicContact CE2-CG 3.9Å; Y767-M771 HydrophobicContact CE2-SD 4.24Å; Y767-M771 HydrophobicContact CG-CG 4.44Å; Y767-M771 VanDerWaalsContact O-CG 3.25Å; Y767-M771 WeakPolarHBondContact O-CG 3.3Å; Y767-M771 PolarHBondContact O-N 2.76Å; H768-M771 PolarHBondContact O-N 2.77Å; H768-M771 VanDerWaalsContact O-N 3.13Å; M771-K779 WeakPolarHBondContact O-CE 3.46Å; M771-K779 PolarHBondContact O-NZ 3Å; M771-K779 HydrophobicContact SD-CB 4.15Å; M771-K779 HydrophobicContact SD-CD 4.23Å; M771-K779 HydrophobicContact SD-CG 3.75Å; M771-V782 HydrophobicContact CE-CB 3.76Å; M771-V782 HydrophobicContact CE-CG1 3.53Å; M771-V782 HydrophobicContact CE-CG2 4.25Å
772D93.1Very high93.9Very high82 Ų8233.3 Ų33.344%0.43916%0.158SC..Hα-helixtrans-73.1-62.7170.1-177.856.8000111.2Q760 H763 H768 M769 Y770Q760-D772 PolarHBondContact NE2-OD2 3.49Å; H763-D772 IonicContact NE2-OD2 2.82Å; H768-D772 PolarHBondContact O-N 2.96Å; M769-D772 PolarHBondContact O-N 3.35Å; Y770-D772 PolarHBondContact O-N 3.27Å
773F93.1Very high93.9Very high50 Ų5038.1 Ų38.122%0.21918%0.179CC..Hα-helixtrans-88.8-19.7-169.876.3-104.5000115.8M694 M769 Y770M694-F773 HydrophobicContact SD-CZ 4.08Å; M769-F773 HydrophobicContact CG-CD1 4.3Å; M769-F773 HydrophobicContact CG-CE1 3.96Å; M769-F773 WeakPolarHBondContact O-CD1 3.32Å; M769-F773 WeakPolarHBondContact O-CE1 3.49Å; M769-F773 PolarHBondContact O-N 3.43Å; M769-F773 HydrophobicContact SD-CD1 4.47Å; Y770-F773 HydrophobicContact CD2-CE1 4.46Å; Y770-F773 AromaticContact CD2-CE2 3.88Å; Y770-F773 HydrophobicContact CD2-CE2 3.88Å; Y770-F773 AromaticContact CD2-CZ 3.79Å; Y770-F773 HydrophobicContact CD2-CZ 3.79Å; Y770-F773 HydrophobicContact CE2-CE2 4.27Å; Y770-F773 PolarHBondContact O-N 2.99Å
774G93.1Very high93.7Very high7 Ų744.1 Ų44.17%0.07221%0.207CC..SBendtrans-66.9158.9-170.800000114Y770 K779Y770-G774 WeakPolarHBondContact O-CA 3.43Å; Y770-G774 PolarHBondContact O-N 2.93Å; G774-K779 WeakPolarHBondContact O-CE 3.45Å; G774-K779 PolarHBondContact O-NZ 3.21Å
775C95.4Very high93.7Very high49 Ų4944.6 Ų44.633%0.33121%0.209SC..  trans-74.2155.6174.579.80000112.1E717 E777 G778 K779E717-C775 PolarHBondContact OE1-N 3.07Å; E717-C775 PolarHBondContact OE1-SG 3.49Å; E717-C775 PolarHBondContact OE2-N 3.06Å; C775-E777 PolarHBondContact O-N 3.37Å; C775-G778 PolarHBondContact O-N 3.43Å; C775-G778 PolarHBondContact SG-N 2.9Å; C775-K779 WeakPolarHBondContact O-CG 3.37Å; C775-K779 PolarHBondContact O-N 2.95Å
776E95.3Very high93.5Very high144 Ų14446.6 Ų46.667%0.67322%0.219SC*.Hα-helixtrans-60.4-30.3-179.2-68.2-57.4120.200113.2K779 R780E776-K779 IonicContact OE1-NZ 2.87Å; E776-R780 WeakPolarHBondContact O-CB 3.34Å; E776-R780 PolarHBondContact O-N 2.98Å; E776-R780 VanDerWaalsContact O-N 3.07Å
777E92.9Very high93.4Very high75 Ų7547.5 Ų47.535%0.3522%0.224SC..Hα-helixtrans-69.8-46.6178-176.9153.5-140.900112.3V719 C775 R780 W781V719-E777 HydrophobicContact CG1-CB 4.39Å; V719-E777 HydrophobicContact CG1-CG 3.89Å; C775-E777 PolarHBondContact O-N 3.37Å; E777-R780 WeakPolarHBondContact O-CB 3.32Å; E777-R780 PolarHBondContact O-N 2.86Å; E777-R780 IonicContact OE1-NH2 3.7Å; E777-R780 PolarHBondContact OE1-NH2 3.09Å; E777-W781 VanDerWaalsContact O-CD1 3.29Å; E777-W781 PolarHBondContact O-N 3.2Å
778G93.4Very high93Very high0 Ų050.2 Ų50.20%024%0.237CC..Hα-helixtrans-67.3-39.1176.200000112.2S693 Y770 C775 R780 W781 V782S693-G778 VanDerWaalsContact OG-CA 3.31Å; S693-G778 WeakPolarHBondContact OG-CA 3.48Å; S693-G778 PolarHBondContact OG-O 2.8Å; Y770-G778 WeakPolarHBondContact OH-CA 3.49Å; C775-G778 PolarHBondContact O-N 3.43Å; C775-G778 PolarHBondContact SG-N 2.9Å; G778-R780 PolarHBondContact O-N 3Å; G778-W781 PolarHBondContact O-N 3.14Å; G778-V782 WeakPolarHBondContact O-CG2 3.41Å; G778-V782 PolarHBondContact O-N 2.89Å
779K95.3Very high92.9Very high27 Ų2749.6 Ų49.612%0.11723%0.234CC..Hα-helixtrans-56-39.4170.7-68.8179.6-171.8172.40112.4Y770 M771 G774 C775 E776 K783Y770-K779 HydrophobicContact CE1-CG 4.42Å; M771-K779 WeakPolarHBondContact O-CE 3.46Å; M771-K779 PolarHBondContact O-NZ 3Å; M771-K779 HydrophobicContact SD-CB 4.15Å; M771-K779 HydrophobicContact SD-CD 4.23Å; M771-K779 HydrophobicContact SD-CG 3.75Å; G774-K779 WeakPolarHBondContact O-CE 3.45Å; G774-K779 PolarHBondContact O-NZ 3.21Å; C775-K779 WeakPolarHBondContact O-CG 3.37Å; C775-K779 PolarHBondContact O-N 2.95Å; E776-K779 IonicContact OE1-NZ 2.87Å; K779-K783 VanDerWaalsContact O-CG 3.31Å; K779-K783 WeakPolarHBondContact O-CG 3.23Å; K779-K783 PolarHBondContact O-N 3.02Å
780R93.7Very high92.8Very high120 Ų12050.6 Ų50.645%0.45324%0.239SC..Hα-helixtrans-65.2-43.9174.1177.3179.560.4164.2-1.1111.6E776 E777 G778 V782 K783 E784E776-R780 WeakPolarHBondContact O-CB 3.34Å; E776-R780 PolarHBondContact O-N 2.98Å; E776-R780 VanDerWaalsContact O-N 3.07Å; E777-R780 WeakPolarHBondContact O-CB 3.32Å; E777-R780 PolarHBondContact O-N 2.86Å; E777-R780 IonicContact OE1-NH2 3.7Å; E777-R780 PolarHBondContact OE1-NH2 3.09Å; G778-R780 PolarHBondContact O-N 3Å; R780-V782 VanDerWaalsContact C-N 3.34Å; R780-V782 PolarHBondContact O-N 3.31Å; R780-K783 PolarHBondContact O-N 3.26Å; R780-K783 VanDerWaalsContact O-N 3.16Å; R780-E784 HydrophobicContact CG-CG 4.41Å; R780-E784 WeakPolarHBondContact O-CB 3.44Å; R780-E784 PolarHBondContact O-N 2.82Å
781W90.9Very high92.6Very high9 Ų953.6 Ų53.63%0.03425%0.252CS..Hα-helixtrans-65.1-35.7180-72.816.3000113.1L479 P692 V719 D720 E777 G778 I785L479-W781 HydrophobicContact CD1-CD2 4.23Å; L479-W781 HydrophobicContact CD1-CZ2 3.91Å; L479-W781 HydrophobicContact CG-CD2 4.37Å; L479-W781 HydrophobicContact CG-CH2 4.12Å; L479-W781 HydrophobicContact CG-CZ2 3.96Å; L479-W781 HydrophobicContact CG-CZ3 4.41Å; P692-W781 HydrophobicContact CB-CB 4.26Å; P692-W781 HydrophobicContact CB-CE3 4.5Å; V719-W781 HydrophobicContact CG1-CD2 4.15Å; V719-W781 HydrophobicContact CG1-CE3 3.97Å; V719-W781 HydrophobicContact CG1-CH2 4.01Å; V719-W781 HydrophobicContact CG1-CZ2 4.15Å; V719-W781 HydrophobicContact CG1-CZ3 3.91Å; D720-W781 HydrophobicContact CB-CH2 3.58Å; D720-W781 HydrophobicContact CB-CZ2 3.97Å; D720-W781 WeakPolarHBondContact OD1-CH2 3.21Å; E777-W781 VanDerWaalsContact O-CD1 3.29Å; E777-W781 PolarHBondContact O-N 3.2Å; G778-W781 PolarHBondContact O-N 3.14Å; W781-I785 PolarHBondContact O-N 2.84Å
782V93Very high92.4Very high1 Ų152.4 Ų52.41%0.00625%0.247CC..Hα-helixtrans-64.8-41.1172.1175.90000111L689 L690 Y767 Y770 M771 G778 R780 I785L689-V782 HydrophobicContact CD1-CG1 4.06Å; L689-V782 HydrophobicContact CG-CG1 4.02Å; L690-V782 HydrophobicContact CD2-CG1 4.04Å; L690-V782 HydrophobicContact CD2-CG2 3.87Å; Y767-V782 HydrophobicContact CD2-CG1 4.25Å; Y767-V782 HydrophobicContact CE2-CG1 3.95Å; Y770-V782 HydrophobicContact CD1-CG2 4.24Å; Y770-V782 HydrophobicContact CE1-CG2 3.84Å; M771-V782 HydrophobicContact CE-CB 3.76Å; M771-V782 HydrophobicContact CE-CG1 3.53Å; M771-V782 HydrophobicContact CE-CG2 4.25Å; G778-V782 WeakPolarHBondContact O-CG2 3.41Å; G778-V782 PolarHBondContact O-N 2.89Å; R780-V782 VanDerWaalsContact C-N 3.34Å; R780-V782 PolarHBondContact O-N 3.31Å; V782-I785 WeakPolarHBondContact O-CB 3.48Å; V782-I785 WeakPolarHBondContact O-CG2 3.48Å
783K92.1Very high92.5Very high140 Ų14048.6 Ų48.661%0.60923%0.226SC*.Hα-helixtrans-69.7-34.9178.7-72.1172.4-176.71760113.1K779 R780K779-K783 VanDerWaalsContact O-CG 3.31Å; K779-K783 WeakPolarHBondContact O-CG 3.23Å; K779-K783 PolarHBondContact O-N 3.02Å; R780-K783 PolarHBondContact O-N 3.26Å; R780-K783 VanDerWaalsContact O-N 3.16Å
784E89.8Confident92.5Very high143 Ų14348.2 Ų48.267%0.66823%0.225SC*.THydrogen-bonded Turntrans-97.420.3-178.9-64.8-179177.300113.1R780 D786R780-E784 HydrophobicContact CG-CG 4.41Å; R780-E784 WeakPolarHBondContact O-CB 3.44Å; R780-E784 PolarHBondContact O-N 2.82Å; E784-D786 PolarHBondContact O-N 3.47Å
785I92.2Very high92.4Very high12 Ų1251.7 Ų51.76%0.06224%0.238CC..  trans-58.3133.8-177.6-167.8169.4000112.2L689 P692 W781 V782 L787 Y789 L790L689-I785 HydrophobicContact CD1-CG2 4.38Å; P692-I785 HydrophobicContact CG-CB 4.49Å; P692-I785 HydrophobicContact CG-CD1 3.6Å; P692-I785 HydrophobicContact CG-CG1 3.83Å; W781-I785 PolarHBondContact O-N 2.84Å; V782-I785 WeakPolarHBondContact O-CB 3.48Å; V782-I785 WeakPolarHBondContact O-CG2 3.48Å; I785-L787 PolarHBondContact O-N 2.91Å; I785-Y789 HydrophobicContact CD1-CD1 4.05Å; I785-Y789 HydrophobicContact CD1-CE1 4.21Å; I785-Y789 HydrophobicContact CG1-CD1 4Å; I785-L790 HydrophobicContact CD1-CB 3.92Å; I785-L790 HydrophobicContact CD1-CD1 4.06Å; I785-L790 HydrophobicContact CD1-CG 4.45Å; I785-L790 HydrophobicContact CG1-CB 4.31Å
786D90.6Very high92.2Very high44 Ų4449.4 Ų49.424%0.23522%0.223CC..  trans-64.6115168.8179.9-5.3000109.3T588 N589 E784 K788 Y789 L790T588-D786 PolarHBondContact OG1-OD2 3.41Å; N589-D786 WeakPolarHBondContact OD1-CB 3.43Å; N589-D786 PolarHBondContact OD1-N 3.21Å; E784-D786 PolarHBondContact O-N 3.47Å; D786-K788 PolarHBondContact O-N 3.07Å; D786-K788 VanDerWaalsContact O-N 3.15Å; D786-K788 WeakPolarHBondContact OD1-CB 3.35Å; D786-K788 PolarHBondContact OD1-N 2.96Å; D786-Y789 WeakPolarHBondContact O-CA 3.48Å; D786-Y789 WeakPolarHBondContact O-CB 3.21Å; D786-Y789 PolarHBondContact O-N 3.41Å; D786-L790 PolarHBondContact O-N 2.74Å
787L91.1Very high92.2Very high21 Ų2142.6 Ų42.611%0.1119%0.191CC..Hα-helixtrans-62.2-25.2-176.7-60.9179.1000113Q69 R72 L73 L76 I785 L790 K791Q69-L787 HydrophobicContact CB-CD2 4.09Å; Q69-L787 HydrophobicContact CG-CD2 4.03Å; R72-L787 HydrophobicContact CB-CD1 3.33Å; R72-L787 HydrophobicContact CG-CD1 4.43Å; L73-L787 HydrophobicContact CD1-CB 4.23Å; L76-L787 HydrophobicContact CD1-CB 4.15Å; L76-L787 HydrophobicContact CD1-CD1 4.02Å; I785-L787 PolarHBondContact O-N 2.91Å; L787-L790 HydrophobicContact CD2-CD2 4.24Å; L787-K791 WeakPolarHBondContact O-CB 3.37Å; L787-K791 PolarHBondContact O-N 3.48Å; L787-K791 VanDerWaalsContact O-N 3.09Å
788K88Confident92.1Very high84 Ų8442.2 Ų42.237%0.36519%0.189SC..Hα-helixtrans-71.6-40.8174.7-66.9-177.5179.1-176.80111.7D609 D786 T792D609-K788 HydrophobicContact CB-CB 4.11Å; D609-K788 HydrophobicContact CB-CD 4.46Å; D609-K788 IonicContact OD2-NZ 3.5Å; D786-K788 PolarHBondContact O-N 3.07Å; D786-K788 VanDerWaalsContact O-N 3.15Å; D786-K788 WeakPolarHBondContact OD1-CB 3.35Å; D786-K788 PolarHBondContact OD1-N 2.96Å; K788-T792 WeakPolarHBondContact O-CB 3.39Å; K788-T792 PolarHBondContact O-N 2.94Å; K788-T792 PolarHBondContact O-OG1 3.38Å
789Y92.4Very high91.8Very high0 Ų043.3 Ų43.30%020%0.198CC..Hα-helixtrans-62.6-49.8172.7168.1-92.3000110.9N589 C591 I606 G608 S691 P692 I785 D786 K791 T792 V793N589-Y789 HydrophobicContact CB-CD1 3.6Å; N589-Y789 HydrophobicContact CB-CD2 3.78Å; N589-Y789 HydrophobicContact CB-CE1 3.9Å; N589-Y789 HydrophobicContact CB-CE2 4.04Å; N589-Y789 HydrophobicContact CB-CG 3.55Å; C591-Y789 HydrophobicContact CB-CE2 4.28Å; C591-Y789 VanDerWaalsContact CB-OH 3.27Å; C591-Y789 WeakPolarHBondContact CB-OH 3.29Å; C591-Y789 PolarHBondContact SG-OH 3.28Å; I606-Y789 HydrophobicContact CG2-CD2 4.19Å; I606-Y789 HydrophobicContact CG2-CE2 4.24Å; G608-Y789 VanDerWaalsContact O-CA 3.24Å; G608-Y789 WeakPolarHBondContact O-CA 3.36Å; S691-Y789 WeakPolarHBondContact CB-OH 3.48Å; S691-Y789 WeakPolarHBondContact OG-CE1 3.33Å; S691-Y789 PolarHBondContact OG-OH 2.9Å; P692-Y789 HydrophobicContact CG-CD1 4.49Å; P692-Y789 HydrophobicContact CG-CE1 3.84Å; I785-Y789 HydrophobicContact CD1-CD1 4.05Å; I785-Y789 HydrophobicContact CD1-CE1 4.21Å; I785-Y789 HydrophobicContact CG1-CD1 4Å; D786-Y789 WeakPolarHBondContact O-CA 3.48Å; D786-Y789 WeakPolarHBondContact O-CB 3.21Å; D786-Y789 PolarHBondContact O-N 3.41Å; Y789-K791 VanDerWaalsContact C-N 3.32Å; Y789-K791 PolarHBondContact O-N 3.07Å; Y789-T792 PolarHBondContact O-N 2.86Å; Y789-V793 HydrophobicContact CD1-CG2 4.39Å; Y789-V793 HydrophobicContact CD2-CG2 4.06Å; Y789-V793 HydrophobicContact CE1-CG2 3.98Å; Y789-V793 HydrophobicContact CE2-CG2 3.64Å; Y789-V793 HydrophobicContact CG-CG2 4.41Å; Y789-V793 WeakPolarHBondContact O-CG2 3.39Å; Y789-V793 PolarHBondContact O-N 2.83Å
790L93.7Very high91.5Very high21 Ų2142 Ų4211%0.1119%0.193CC..Hα-helixtrans-51.2-50.7176.2175.458.4000111.6A688 L689 I785 D786 L787 T792 H794A688-L790 VanDerWaalsContact C-CD1 3.48Å; A688-L790 HydrophobicContact CB-CD1 3.77Å; L689-L790 HydrophobicContact CB-CD1 4.25Å; I785-L790 HydrophobicContact CD1-CB 3.92Å; I785-L790 HydrophobicContact CD1-CD1 4.06Å; I785-L790 HydrophobicContact CD1-CG 4.45Å; I785-L790 HydrophobicContact CG1-CB 4.31Å; D786-L790 PolarHBondContact O-N 2.74Å; L787-L790 HydrophobicContact CD2-CD2 4.24Å; L790-T792 VanDerWaalsContact C-N 3.33Å; L790-T792 PolarHBondContact O-N 2.83Å; L790-H794 WeakPolarHBondContact O-CB 3.3Å; L790-H794 PolarHBondContact O-N 3.4Å
791K90.6Very high91.4Very high63 Ų6338.7 Ų38.727%0.27418%0.18SC..Hα-helixtrans-61-41.4177.8-177.8-176.8177.9177.30112.3L73 E77 L787 Y789 K795L73-K791 HydrophobicContact CD1-CB 4.36Å; L73-K791 HydrophobicContact CD1-CD 4.14Å; L73-K791 HydrophobicContact CD2-CB 4.22Å; L73-K791 HydrophobicContact CD2-CD 4.14Å; L73-K791 HydrophobicContact CD2-CG 4.36Å; E77-K791 IonicContact OE1-NZ 3.58Å; E77-K791 PolarHBondContact OE1-NZ 3.31Å; L787-K791 WeakPolarHBondContact O-CB 3.37Å; L787-K791 PolarHBondContact O-N 3.48Å; L787-K791 VanDerWaalsContact O-N 3.09Å; Y789-K791 VanDerWaalsContact C-N 3.32Å; Y789-K791 PolarHBondContact O-N 3.07Å; K791-K795 HydrophobicContact CG-CD 4.27Å; K791-K795 HydrophobicContact CG-CG 4.47Å; K791-K795 WeakPolarHBondContact O-CB 3.48Å; K791-K795 WeakPolarHBondContact O-CG 3.27Å; K791-K795 PolarHBondContact O-N 2.97Å
792T90.2Very high91.5Very high9 Ų938.3 Ų38.36%0.05518%0.178CC..Hα-helixtrans-67.5-48.7-176.3-60.50000111.2V566 I606 D609 I611 K788 Y789 L790 K795 L796V566-T792 HydrophobicContact CG1-CG2 4.08Å; V566-T792 HydrophobicContact CG2-CG2 4.3Å; I606-T792 HydrophobicContact CG2-CG2 3.89Å; D609-T792 WeakPolarHBondContact CA-OG1 3.13Å; I611-T792 HydrophobicContact CD1-CG2 3.81Å; I611-T792 HydrophobicContact CG1-CG2 3.87Å; K788-T792 WeakPolarHBondContact O-CB 3.39Å; K788-T792 PolarHBondContact O-N 2.94Å; K788-T792 PolarHBondContact O-OG1 3.38Å; Y789-T792 PolarHBondContact O-N 2.86Å; L790-T792 VanDerWaalsContact C-N 3.33Å; L790-T792 PolarHBondContact O-N 2.83Å; T792-K795 PolarHBondContact O-N 3.47Å; T792-L796 WeakPolarHBondContact O-CB 3.38Å; T792-L796 PolarHBondContact O-N 3.43Å
793V94.8Very high91.5Very high1 Ų138.3 Ų38.31%0.00618%0.178CC..Hα-helixtrans-61.7-47.4176177.80000110.3L474 I606 A688 Y789 K795 L796 L797L474-V793 HydrophobicContact CD2-CG1 4.14Å; I606-V793 HydrophobicContact CD1-CG2 4.14Å; I606-V793 HydrophobicContact CG2-CG2 4.11Å; A688-V793 HydrophobicContact CB-CB 4.17Å; A688-V793 HydrophobicContact CB-CG1 3.94Å; Y789-V793 HydrophobicContact CD1-CG2 4.39Å; Y789-V793 HydrophobicContact CD2-CG2 4.06Å; Y789-V793 HydrophobicContact CE1-CG2 3.98Å; Y789-V793 HydrophobicContact CE2-CG2 3.64Å; Y789-V793 HydrophobicContact CG-CG2 4.41Å; Y789-V793 WeakPolarHBondContact O-CG2 3.39Å; Y789-V793 PolarHBondContact O-N 2.83Å; V793-K795 PolarHBondContact O-N 3.39Å; V793-L796 PolarHBondContact O-N 3.33Å; V793-L797 HydrophobicContact CG1-CD1 3.9Å; V793-L797 HydrophobicContact CG1-CG 4.29Å; V793-L797 WeakPolarHBondContact O-CG 3.48Å; V793-L797 PolarHBondContact O-N 2.85Å
794H94.3Very high91.4Very high42 Ų4231.7 Ų31.719%0.19415%0.15CC..Hα-helixtrans-58-50.7179.3-175.9-165.1000112A688 L790 L796 L797 Q798A688-H794 HydrophobicContact CB-CB 3.68Å; L790-H794 WeakPolarHBondContact O-CB 3.3Å; L790-H794 PolarHBondContact O-N 3.4Å; H794-L796 VanDerWaalsContact C-N 3.29Å; H794-L796 PolarHBondContact O-N 3.32Å; H794-L797 PolarHBondContact O-N 3.13Å; H794-Q798 VanDerWaalsContact NE2-CD 3.3Å; H794-Q798 PolarHBondContact NE2-NE2 3.48Å; H794-Q798 WeakPolarHBondContact O-CG 3.21Å; H794-Q798 PolarHBondContact O-N 2.91Å
795K90.3Very high91.3Very high80 Ų8024.9 Ų24.935%0.34812%0.118SC..Hα-helixtrans-61.2-37.1177.8-78.5-171.5168-158.40113V566 K791 T792 V793 A799V566-K795 HydrophobicContact CG2-CB 4.45Å; K791-K795 HydrophobicContact CG-CD 4.27Å; K791-K795 HydrophobicContact CG-CG 4.47Å; K791-K795 WeakPolarHBondContact O-CB 3.48Å; K791-K795 WeakPolarHBondContact O-CG 3.27Å; K791-K795 PolarHBondContact O-N 2.97Å; T792-K795 PolarHBondContact O-N 3.47Å; V793-K795 PolarHBondContact O-N 3.39Å; K795-A799 VanDerWaalsContact O-CB 3.27Å; K795-A799 WeakPolarHBondContact O-CB 3.37Å; K795-A799 PolarHBondContact O-N 3.37Å
796L91.7Very high91.2Very high1 Ų125.4 Ų25.41%0.00512%0.122CC..Hα-helixtrans-67.8-44.1179.5-171.671.2000111.1L593 L604 I606 I611 F661 T792 V793 H794 A799 T800L593-L796 HydrophobicContact CD2-CD2 3.5Å; L593-L796 HydrophobicContact CD2-CG 4.06Å; L604-L796 HydrophobicContact CD1-CD1 4.23Å; L604-L796 HydrophobicContact CD1-CD2 3.99Å; I606-L796 HydrophobicContact CD1-CD2 3.41Å; I606-L796 VanDerWaalsContact CD1-CD2 3.41Å; I606-L796 HydrophobicContact CG1-CD2 4.24Å; I611-L796 HydrophobicContact CD1-CD1 4.26Å; I611-L796 HydrophobicContact CD1-CD2 4.43Å; F661-L796 HydrophobicContact CE1-CD1 3.72Å; F661-L796 HydrophobicContact CZ-CD1 3.93Å; T792-L796 WeakPolarHBondContact O-CB 3.38Å; T792-L796 PolarHBondContact O-N 3.43Å; V793-L796 PolarHBondContact O-N 3.33Å; H794-L796 VanDerWaalsContact C-N 3.29Å; H794-L796 PolarHBondContact O-N 3.32Å; L796-A799 PolarHBondContact O-N 2.75Å; L796-T800 WeakPolarHBondContact O-CB 3.46Å; L796-T800 WeakPolarHBondContact O-CG2 3.46Å; L796-T800 PolarHBondContact O-N 2.94Å; L796-T800 PolarHBondContact O-OG1 3.44Å
797L94.2Very high91.2Very high1 Ų124.5 Ų24.51%0.00512%0.117CC..Hα-helixtrans-62.4-45.9175.8-70175.3000111.6L474 Y684 M687 V793 H794 A799 T800 R801 L802L474-L797 HydrophobicContact CD2-CD1 4.25Å; L474-L797 HydrophobicContact CD2-CD2 4.47Å; Y684-L797 HydrophobicContact CD1-CB 3.57Å; Y684-L797 HydrophobicContact CD1-CD1 4.2Å; Y684-L797 HydrophobicContact CD1-CD2 4.44Å; Y684-L797 HydrophobicContact CD1-CG 4.29Å; Y684-L797 HydrophobicContact CE1-CB 4.1Å; Y684-L797 HydrophobicContact CG-CB 3.89Å; M687-L797 HydrophobicContact CB-CD1 3.79Å; M687-L797 HydrophobicContact CE-CD1 4.22Å; M687-L797 HydrophobicContact CE-CD2 4.08Å; V793-L797 HydrophobicContact CG1-CD1 3.9Å; V793-L797 HydrophobicContact CG1-CG 4.29Å; V793-L797 WeakPolarHBondContact O-CG 3.48Å; V793-L797 PolarHBondContact O-N 2.85Å; H794-L797 PolarHBondContact O-N 3.13Å; L797-A799 VanDerWaalsContact C-N 3.29Å; L797-A799 PolarHBondContact O-N 3.38Å; L797-T800 PolarHBondContact O-N 3.26Å; L797-T800 PolarHBondContact O-OG1 3.07Å; L797-R801 PolarHBondContact O-N 3.09Å; L797-L802 HydrophobicContact CD2-CD1 3.86Å
798Q91.2Very high91.2Very high68 Ų6824.6 Ų24.632%0.31812%0.117SC..Hα-helixtrans-60.4-37.5175.9-73.6-177.7-5000112.9E681 Y684 H794 R801E681-Q798 PolarHBondContact OE2-NE2 3.03Å; Y684-Q798 HydrophobicContact CD2-CG 4.3Å; H794-Q798 VanDerWaalsContact NE2-CD 3.3Å; H794-Q798 PolarHBondContact NE2-NE2 3.48Å; H794-Q798 WeakPolarHBondContact O-CG 3.21Å; H794-Q798 PolarHBondContact O-N 2.91Å; Q798-R801 WeakPolarHBondContact O-CG 3.42Å
799A87.2Confident91.4Very high22 Ų2221.3 Ų21.318%0.18210%0.103CC..Hα-helixtrans-82.5-25.8-176.600000113.9P565 F661 M662 K795 L796 L797P565-A799 HydrophobicContact CB-CB 4.22Å; P565-A799 HydrophobicContact CG-CB 3.57Å; F661-A799 HydrophobicContact CD1-CB 3.48Å; F661-A799 VanDerWaalsContact CD1-CB 3.48Å; F661-A799 HydrophobicContact CE1-CB 4.03Å; F661-A799 HydrophobicContact CG-CB 4.42Å; M662-A799 PolarHBondContact N-O 2.86Å; K795-A799 VanDerWaalsContact O-CB 3.27Å; K795-A799 WeakPolarHBondContact O-CB 3.37Å; K795-A799 PolarHBondContact O-N 3.37Å; L796-A799 PolarHBondContact O-N 2.75Å; L797-A799 VanDerWaalsContact C-N 3.29Å; L797-A799 PolarHBondContact O-N 3.38Å
800T89.1Confident91.3Very high1 Ų122.6 Ų22.61%0.00611%0.11CC..Hα-helixtrans-88-25.7176.249.30000112.3I595 F661 L796 L797 L802I595-T800 HydrophobicContact CD1-CG2 4.09Å; F661-T800 HydrophobicContact CD1-CG2 4.26Å; F661-T800 HydrophobicContact CE1-CG2 4.02Å; L796-T800 WeakPolarHBondContact O-CB 3.46Å; L796-T800 WeakPolarHBondContact O-CG2 3.46Å; L796-T800 PolarHBondContact O-N 2.94Å; L796-T800 PolarHBondContact O-OG1 3.44Å; L797-T800 PolarHBondContact O-N 3.26Å; L797-T800 PolarHBondContact O-OG1 3.07Å; T800-L802 VanDerWaalsContact C-N 3.26Å; T800-L802 PolarHBondContact O-N 3.09Å; T800-L802 WeakPolarHBondContact OG1-CG 3.5Å
801R91.5Very high91.2Very high50 Ų5022.7 Ų22.719%0.18911%0.109CC..THydrogen-bonded Turntrans50.743.6178.9-64.8-166.664.3-154.9-0.5113.5M662 E680 Y684 L797 Q798 L803 V804 F805M662-R801 HydrophobicContact CG-CB 4.17Å; M662-R801 HydrophobicContact CG-CG 4.44Å; E680-R801 IonicContact OE1-CZ 3.44Å; E680-R801 IonicContact OE1-NE 2.75Å; E680-R801 PolarHBondContact OE1-NE 3.14Å; E680-R801 IonicContact OE1-NH2 2.73Å; E680-R801 IonicContact OE2-CZ 2.72Å; E680-R801 IonicContact OE2-NE 2.93Å; E680-R801 PolarHBondContact OE2-NE 2.79Å; E680-R801 IonicContact OE2-NH2 3.87Å; E680-R801 PolarHBondContact OE2-NH2 3.04Å; Y684-R801 WeakPolarHBondContact OH-CA 3.3Å; L797-R801 PolarHBondContact O-N 3.09Å; Q798-R801 WeakPolarHBondContact O-CG 3.42Å; R801-L803 VanDerWaalsContact C-N 3.26Å; R801-L803 PolarHBondContact O-N 2.91Å; R801-L803 VanDerWaalsContact O-N 3.15Å; R801-V804 PolarHBondContact O-N 2.94Å; R801-F805 HydrophobicContact CB-CD2 3.58Å; R801-F805 HydrophobicContact CB-CE2 3.82Å; R801-F805 PolarHBondContact O-N 3.15Å; R801-F805 VanDerWaalsContact O-N 3.14Å
802L93Very high91.2Very high0 Ų020 Ų200%010%0.099CC..THydrogen-bonded Turntrans-51.9-39-174.4-61175.6000113.6F469 W472 L593 I595 Y684 L797 T800 V804 S806F469-L802 HydrophobicContact CD2-CD2 3.91Å; F469-L802 HydrophobicContact CE2-CD2 3.89Å; W472-L802 HydrophobicContact CB-CD1 4.22Å; W472-L802 HydrophobicContact CB-CD2 4.19Å; W472-L802 HydrophobicContact CD2-CB 3.97Å; W472-L802 HydrophobicContact CD2-CD1 3.94Å; W472-L802 HydrophobicContact CD2-CG 4.46Å; W472-L802 HydrophobicContact CE3-CD1 3.98Å; W472-L802 HydrophobicContact CG-CB 4.02Å; W472-L802 HydrophobicContact CG-CD1 4.04Å; W472-L802 HydrophobicContact CG-CD2 4.21Å; W472-L802 HydrophobicContact CG-CG 4.31Å; L593-L802 HydrophobicContact CD1-CD1 3.76Å; L593-L802 HydrophobicContact CD2-CD1 4.43Å; I595-L802 HydrophobicContact CD1-CD2 3.85Å; I595-L802 HydrophobicContact CG1-CD2 3.95Å; I595-L802 HydrophobicContact CG2-CD2 4.3Å; Y684-L802 PolarHBondContact OH-N 3.49Å; Y684-L802 VanDerWaalsContact OH-N 3.09Å; L797-L802 HydrophobicContact CD2-CD1 3.86Å; T800-L802 VanDerWaalsContact C-N 3.26Å; T800-L802 PolarHBondContact O-N 3.09Å; T800-L802 WeakPolarHBondContact OG1-CG 3.5Å; L802-V804 PolarHBondContact O-N 2.88Å; L802-S806 VanDerWaalsContact O-CB 3.29Å; L802-S806 WeakPolarHBondContact O-CB 3.41Å; L802-S806 PolarHBondContact O-N 3.47Å; L802-S806 PolarHBondContact O-OG 3.23Å
803L93.2Very high91.3Very high1 Ų120.8 Ų20.81%0.00510%0.102CC..THydrogen-bonded Turntrans-67.7-16.5-176.8-61.7167.7000114.1W472 E680 L683 Y684 M687 I711 V713 R801W472-L803 HydrophobicContact CH2-CD2 4.15Å; W472-L803 HydrophobicContact CZ2-CD2 3.78Å; E680-L803 HydrophobicContact CG-CD1 4.35Å; L683-L803 HydrophobicContact CB-CD1 4.05Å; L683-L803 HydrophobicContact CD2-CD1 3.65Å; L683-L803 HydrophobicContact CD2-CD2 4.07Å; L683-L803 HydrophobicContact CG-CD1 3.91Å; Y684-L803 HydrophobicContact CD1-CD1 3.85Å; Y684-L803 HydrophobicContact CD1-CG 4.39Å; Y684-L803 HydrophobicContact CE1-CB 4.32Å; Y684-L803 HydrophobicContact CE1-CD1 3.43Å; Y684-L803 VanDerWaalsContact CE1-CD1 3.43Å; Y684-L803 HydrophobicContact CE1-CG 3.56Å; Y684-L803 HydrophobicContact CE2-CD1 4.49Å; Y684-L803 WeakPolarHBondContact OH-CB 3.44Å; Y684-L803 PolarHBondContact OH-N 3.49Å; M687-L803 HydrophobicContact SD-CD1 4.38Å; M687-L803 HydrophobicContact SD-CD2 4.49Å; I711-L803 HydrophobicContact CD1-CD1 4.28Å; I711-L803 HydrophobicContact CG2-CB 4.36Å; I711-L803 HydrophobicContact CG2-CD1 4.41Å; I711-L803 HydrophobicContact CG2-CD2 3.92Å; I711-L803 HydrophobicContact CG2-CG 4.45Å; V713-L803 HydrophobicContact CG2-CD2 4.49Å; R801-L803 VanDerWaalsContact C-N 3.26Å; R801-L803 PolarHBondContact O-N 2.91Å; R801-L803 VanDerWaalsContact O-N 3.15Å
804V90.2Very high91Very high1 Ų122.3 Ų22.31%0.00611%0.109CC..THydrogen-bonded Turntrans-110-37-176.41640000112C672 L673 K675 E680 R801 L802C672-V804 HydrophobicContact CB-CG1 4.18Å; C672-V804 WeakPolarHBondContact CB-O 3.49Å; L673-V804 PolarHBondContact N-O 2.92Å; L673-V804 WeakPolarHBondContact O-CG1 3.35Å; K675-V804 HydrophobicContact CB-CG2 4.13Å; E680-V804 HydrophobicContact CG-CG2 4.44Å; E680-V804 WeakPolarHBondContact OE2-CG2 3.29Å; R801-V804 PolarHBondContact O-N 2.94Å; L802-V804 PolarHBondContact O-N 2.88Å
805F89Confident90.7Very high1 Ų120.7 Ų20.70%0.00410%0.102CC..  trans-97.426-177.1-68.3-80.1000113.3P468 F469 M662 V667 I670 C672 R801P468-F805 CarbonylContact C-O 3.54Å; P468-F805 WeakPolarHBondContact CA-O 3.21Å; F469-F805 HydrophobicContact CD2-CB 4.07Å; F469-F805 VanDerWaalsContact CD2-O 3.25Å; F469-F805 WeakPolarHBondContact CD2-O 3.31Å; F469-F805 HydrophobicContact CE2-CB 4.1Å; F469-F805 PolarHBondContact N-O 3.07Å; M662-F805 HydrophobicContact CB-CE2 4.44Å; M662-F805 HydrophobicContact CE-CD1 3.5Å; M662-F805 VanDerWaalsContact CE-CD1 3.5Å; M662-F805 HydrophobicContact CE-CD2 3.78Å; M662-F805 HydrophobicContact CE-CE1 3.27Å; M662-F805 HydrophobicContact CE-CE2 3.57Å; M662-F805 HydrophobicContact CE-CG 3.75Å; M662-F805 HydrophobicContact CE-CZ 3.31Å; M662-F805 HydrophobicContact CG-CD2 3.91Å; M662-F805 HydrophobicContact CG-CE2 3.82Å; M662-F805 HydrophobicContact CG-CZ 4.47Å; M662-F805 HydrophobicContact SD-CD1 4.34Å; M662-F805 HydrophobicContact SD-CD2 3.89Å; M662-F805 HydrophobicContact SD-CE2 4.11Å; M662-F805 HydrophobicContact SD-CG 4.02Å; M662-F805 HydrophobicContact SD-CZ 4.43Å; V667-F805 HydrophobicContact CG2-CE2 4.33Å; V667-F805 HydrophobicContact CG2-CZ 3.67Å; I670-F805 HydrophobicContact CD1-CD1 4.13Å; I670-F805 HydrophobicContact CD1-CE1 4.04Å; C672-F805 HydrophobicContact CB-CD1 3.78Å; C672-F805 HydrophobicContact CB-CE1 3.87Å; R801-F805 HydrophobicContact CB-CD2 3.58Å; R801-F805 HydrophobicContact CB-CE2 3.82Å; R801-F805 PolarHBondContact O-N 3.15Å; R801-F805 VanDerWaalsContact O-N 3.14Å
806S88.3Confident90.8Very high22 Ų2215.3 Ų15.315%0.1548%0.079CC..  trans-129.20176.162.60000113.7F469 W472 W698 L802F469-S806 VanDerWaalsContact O-CA 3.32Å; F469-S806 WeakPolarHBondContact O-CA 3.32Å; W472-S806 PolarHBondContact NE1-OG 3.48Å; W698-S806 VanDerWaalsContact CD1-CB 3.45Å; W698-S806 VanDerWaalsContact CD1-OG 3.25Å; W698-S806 PolarHBondContact NE1-OXT 2.81Å; L802-S806 VanDerWaalsContact O-CB 3.29Å; L802-S806 WeakPolarHBondContact O-CB 3.41Å; L802-S806 PolarHBondContact O-N 3.47Å; L802-S806 PolarHBondContact O-OG 3.23Å

Retrieved 806 of 806 residues in 2407 ms (Link to these results)

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