A0A2K5MH82_CERAT Loading...

Histone-lysine N-methyltransferase EZH2

AlphaFold DB , UniProt , Accession A0A2K5MH82, Species CERAT (Cercocebus atys, Sooty mangabey), Gene EZH2, Length 751 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
1M34Very low40.9Very low254 Ų254134.3 Ų134.3100%1.25175%0.754SS**  0122.40-56.6171.2-174.900107.5
2G34.1Very low43.6Very low69 Ų69131.6 Ų131.671%0.71175%0.747SS**  cis174.2101.5-7.100000108T4G2-T4 PolarHBondContact O-N 3.14Å
3Q30.5Very low46.4Very low203 Ų203128.2 Ų128.295%0.94973%0.73SS**  trans-75.2116.9178.3-71.1-175.9-3.200108.8G5Q3-G5 PolarHBondContact O-N 3.35Å
4T34.3Very low49.1Very low137 Ų137122.8 Ų122.884%0.8470%0.703SS**  trans-73.1109.2173.540.20000109.5G2 K6G2-T4 PolarHBondContact O-N 3.14Å; T4-K6 PolarHBondContact O-N 3.41Å
5G30.3Very low51.3Low75 Ų75115.9 Ų115.977%0.77366%0.661SS**PPolyproline II helixtrans-57.8131.4173.800000110.9Q3 K7Q3-G5 PolarHBondContact O-N 3.35Å; G5-K7 PolarHBondContact O-N 2.73Å
6K34.8Very low53.3Low204 Ų204115.1 Ų115.189%0.88764%0.644SS**PPolyproline II helixtrans-76.1121167.2-73.2-179174.5-179.10108T4 S8T4-K6 PolarHBondContact O-N 3.41Å; K6-S8 PolarHBondContact O-N 2.86Å
7K35.2Very low55.2Low155 Ų155117.5 Ų117.567%0.67465%0.646SS**PPolyproline II helixtrans-52.1130.5169.1-82.5-154.6167.8-1540109.1G5 E9 D186G5-K7 PolarHBondContact O-N 2.73Å; K7-E9 PolarHBondContact O-N 3.22Å; K7-D186 IonicContact NZ-OD1 3.5Å; K7-D186 PolarHBondContact NZ-OD1 3.02Å; K7-D186 VanDerWaalsContact NZ-OD1 3.09Å
8S40.3Very low56.9Low110 Ų110114.2 Ų114.277%0.76962%0.623SS**  trans-81.185.3-177.1-169.20000110.4K6 K10K6-S8 PolarHBondContact O-N 2.86Å; S8-K10 PolarHBondContact O-N 3.04Å
9E49.1Very low58.5Low146 Ų146108.3 Ų108.368%0.68259%0.59SS**  trans-64.8106.2176.1-68.2-160.9102.200110.9K7 G11 K222K7-E9 PolarHBondContact O-N 3.22Å; E9-G11 PolarHBondContact O-N 3.29Å; E9-G11 VanDerWaalsContact O-N 3.07Å; E9-K222 IonicContact OE1-NZ 2.76Å; E9-K222 PolarHBondContact OE1-NZ 2.79Å
10K58.6Low60Low87 Ų87106.8 Ų106.838%0.37858%0.578SS.*  trans-60.3110.7-178.7-68.1166-174.3157.40109.9S8 W15 D185S8-K10 PolarHBondContact O-N 3.04Å; K10-W15 PolarHBondContact O-NE1 2.82Å; K10-W15 VanDerWaalsContact O-NE1 3.16Å; K10-D185 IonicContact NZ-OD1 3.67Å; K10-D185 PolarHBondContact NZ-OD1 2.95Å; K10-D185 IonicContact NZ-OD2 3.76Å; K10-D185 PolarHBondContact NZ-OD2 3.42Å
11G68.3Low61.3Low37 Ų37105.3 Ų105.338%0.38158%0.575SS.*  trans-68.3166.1-168.400000115.6E9 V13 C14E9-G11 PolarHBondContact O-N 3.29Å; E9-G11 VanDerWaalsContact O-N 3.07Å; G11-V13 VanDerWaalsContact C-N 3.27Å; G11-V13 PolarHBondContact O-N 3.02Å; G11-C14 VanDerWaalsContact O-CB 3.24Å; G11-C14 WeakPolarHBondContact O-CB 3.37Å; G11-C14 PolarHBondContact O-N 3.39Å
12P74.2Confident63.9Low102 Ų10293.7 Ų93.766%0.66252%0.518SS*.Hα-helixtrans-58.9-29-165.9-27.735.7000116C14 W15 R16P12-C14 VanDerWaalsContact C-N 3.32Å; P12-W15 PolarHBondContact O-N 2.81Å; P12-R16 PolarHBondContact O-N 2.96Å
13V79.4Confident66.5Low87 Ų8790.5 Ų90.553%0.52749%0.485SS..Hα-helixtrans-70.5-29.6177-174.50000111.9G11 K17G11-V13 VanDerWaalsContact C-N 3.27Å; G11-V13 PolarHBondContact O-N 3.02Å; V13-K17 PolarHBondContact O-N 3.28Å
14C83.7Confident69.2Low53 Ų5384.8 Ų84.836%0.35846%0.459SS..Hα-helixtrans-67.2-46.9175.2-172.30000110.5G11 P12 K17 R18G11-C14 VanDerWaalsContact O-CB 3.24Å; G11-C14 WeakPolarHBondContact O-CB 3.37Å; G11-C14 PolarHBondContact O-N 3.39Å; P12-C14 VanDerWaalsContact C-N 3.32Å; C14-K17 PolarHBondContact O-N 3.13Å; C14-R18 PolarHBondContact O-N 3.39Å
15W82.9Confident71.9Confident20 Ų2084 Ų848%0.07644%0.44CS..Hα-helixtrans-61-45.4177.2-75.7103.2000112.8K10 P12 K17 R18 V19 I223 A226K10-W15 PolarHBondContact O-NE1 2.82Å; K10-W15 VanDerWaalsContact O-NE1 3.16Å; P12-W15 PolarHBondContact O-N 2.81Å; W15-K17 VanDerWaalsContact C-N 3.3Å; W15-K17 PolarHBondContact O-N 3.47Å; W15-R18 WeakPolarHBondContact O-CB 3.45Å; W15-R18 PolarHBondContact O-N 3.32Å; W15-R18 VanDerWaalsContact O-N 3.09Å; W15-V19 VanDerWaalsContact O-CG2 3.31Å; W15-V19 WeakPolarHBondContact O-CG2 3.39Å; W15-V19 PolarHBondContact O-N 3.41Å; W15-I223 HydrophobicContact CH2-CG1 4.49Å; W15-I223 HydrophobicContact CZ3-CG1 4.09Å; W15-A226 HydrophobicContact CB-CB 3.68Å
16R82.8Confident74.6Confident103 Ų10381 Ų8139%0.38941%0.407SS..Hα-helixtrans-56.7-40.6174-77.8-167-77.6167.6-6.6113.2P12 K20 S229 M230P12-R16 PolarHBondContact O-N 2.96Å; R16-K20 WeakPolarHBondContact O-CB 3.41Å; R16-K20 PolarHBondContact O-N 3.15Å; R16-S229 WeakPolarHBondContact CD-OG 3.49Å; R16-M230 HydrophobicContact CB-CG 4.3Å; R16-M230 HydrophobicContact CB-SD 3.76Å; R16-M230 HydrophobicContact CG-CG 4.01Å; R16-M230 HydrophobicContact CG-SD 3.79Å
17K85.7Confident77.1Confident155 Ų15576.9 Ų76.967%0.67439%0.386SS*.Hα-helixtrans-66-41.7174-72.9-177177.5-175.30112.5V13 C14 W15 K20 S21V13-K17 PolarHBondContact O-N 3.28Å; C14-K17 PolarHBondContact O-N 3.13Å; W15-K17 VanDerWaalsContact C-N 3.3Å; W15-K17 PolarHBondContact O-N 3.47Å; K17-K20 PolarHBondContact O-N 2.92Å; K17-S21 PolarHBondContact O-N 3.24Å
18R85.7Confident79.5Confident59 Ų5974.3 Ų74.322%0.22338%0.376CS..Hα-helixtrans-59.6-50.3174.4-74.3177.1163.7-160.8-9.2111.3C14 W15 K20 S21 E22 L178 D185C14-R18 PolarHBondContact O-N 3.39Å; W15-R18 WeakPolarHBondContact O-CB 3.45Å; W15-R18 PolarHBondContact O-N 3.32Å; W15-R18 VanDerWaalsContact O-N 3.09Å; R18-K20 PolarHBondContact O-N 2.96Å; R18-S21 PolarHBondContact O-N 2.86Å; R18-E22 PolarHBondContact O-N 2.71Å; R18-L178 HydrophobicContact CB-CD2 4.32Å; R18-D185 IonicContact CZ-OD2 2.64Å; R18-D185 IonicContact NH1-OD2 3.87Å; R18-D185 PolarHBondContact NH1-OD2 3.37Å; R18-D185 IonicContact NH2-OD1 3.46Å; R18-D185 IonicContact NH2-OD2 3.09Å; R18-D185 PolarHBondContact NH2-OD2 2.87Å
19V87.9Confident81.7Confident1 Ų174 Ų741%0.00637%0.365CS..Hα-helixtrans-54-49.3175.4173.90000111.1W15 S21 E22 Y23 L174 L178 A226 I227 M230 F231W15-V19 VanDerWaalsContact O-CG2 3.31Å; W15-V19 WeakPolarHBondContact O-CG2 3.39Å; W15-V19 PolarHBondContact O-N 3.41Å; V19-S21 PolarHBondContact O-N 3.41Å; V19-E22 PolarHBondContact O-N 3.47Å; V19-Y23 WeakPolarHBondContact O-CB 3.34Å; V19-Y23 PolarHBondContact O-N 2.91Å; V19-L174 HydrophobicContact CG1-CD2 4.3Å; V19-L178 HydrophobicContact CB-CD1 4.43Å; V19-L178 HydrophobicContact CG2-CD1 3.73Å; V19-L178 HydrophobicContact CG2-CD2 4.33Å; V19-A226 HydrophobicContact CG2-CB 3.86Å; V19-I227 HydrophobicContact CG1-CG1 4.15Å; V19-I227 HydrophobicContact CG2-CG1 4.15Å; V19-M230 HydrophobicContact CB-CG 4.39Å; V19-M230 HydrophobicContact CG1-CB 4.27Å; V19-M230 HydrophobicContact CG1-CG 4.04Å; V19-F231 HydrophobicContact CG1-CE2 4.45Å
20K87.3Confident83.4Confident79 Ų7968.7 Ų68.734%0.34334%0.34SS..Hα-helixtrans-62.8-38.9-179.6-167.8165.1-166.8173.20112.7R16 K17 R18 M24 E162 M230R16-K20 WeakPolarHBondContact O-CB 3.41Å; R16-K20 PolarHBondContact O-N 3.15Å; K17-K20 PolarHBondContact O-N 2.92Å; R18-K20 PolarHBondContact O-N 2.96Å; K20-M24 WeakPolarHBondContact O-CB 3.29Å; K20-M24 VanDerWaalsContact O-CG 3.27Å; K20-M24 WeakPolarHBondContact O-CG 3.18Å; K20-M24 PolarHBondContact O-N 3.39Å; K20-E162 IonicContact NZ-OE2 2.66Å; K20-E162 PolarHBondContact NZ-OE2 3.08Å; K20-M230 HydrophobicContact CB-CE 4.37Å; K20-M230 HydrophobicContact CD-CE 4.07Å; K20-M230 HydrophobicContact CG-CE 4.47Å
21S88.2Confident84.7Confident75 Ų7572 Ų7252%0.52435%0.35SS..Hα-helixtrans-66-53.1176.2-1720000111.9K17 R18 V19 Y23 M24 R25K17-S21 PolarHBondContact O-N 3.24Å; R18-S21 PolarHBondContact O-N 2.86Å; V19-S21 PolarHBondContact O-N 3.41Å; S21-Y23 PolarHBondContact O-N 3.31Å; S21-M24 PolarHBondContact O-N 3.26Å; S21-M24 VanDerWaalsContact O-N 3.14Å; S21-R25 PolarHBondContact O-N 2.82Å
22E88.6Confident85.5Confident11 Ų1176.2 Ų76.25%0.05136%0.358CS..Hα-helixtrans-67.2-38.8-176.5-75.3-59.19700112.8R18 V19 M24 R25 L26 L174 L178 Y181R18-E22 PolarHBondContact O-N 2.71Å; V19-E22 PolarHBondContact O-N 3.47Å; E22-M24 VanDerWaalsContact C-N 3.31Å; E22-M24 PolarHBondContact O-N 3.4Å; E22-R25 VanDerWaalsContact CD-NE 3.3Å; E22-R25 PolarHBondContact O-N 2.86Å; E22-R25 WeakPolarHBondContact OE1-CD 3.47Å; E22-R25 IonicContact OE1-CZ 3.45Å; E22-R25 IonicContact OE1-NE 2.82Å; E22-R25 PolarHBondContact OE1-NE 3.23Å; E22-R25 IonicContact OE2-CZ 2.8Å; E22-R25 IonicContact OE2-NE 2.86Å; E22-R25 PolarHBondContact OE2-NE 2.69Å; E22-R25 IonicContact OE2-NH2 3.39Å; E22-R25 PolarHBondContact OE2-NH2 2.82Å; E22-L26 WeakPolarHBondContact O-CB 3.45Å; E22-L26 VanDerWaalsContact O-CG 3.31Å; E22-L26 WeakPolarHBondContact O-CG 3.37Å; E22-L26 PolarHBondContact O-N 3.41Å; E22-L174 HydrophobicContact CB-CD1 3.9Å; E22-L178 HydrophobicContact CB-CD2 4.47Å; E22-L178 HydrophobicContact CG-CD2 4.38Å; E22-Y181 HydrophobicContact CG-CE2 4.18Å
23Y88.9Confident85.9Confident2 Ų281 Ų811%0.00836%0.363CS..Hα-helixtrans-57.5-43.5171.2169.6-115.6000111.9V19 S21 R27 C163 G164 F165 I166 I170 F231V19-Y23 WeakPolarHBondContact O-CB 3.34Å; V19-Y23 PolarHBondContact O-N 2.91Å; S21-Y23 PolarHBondContact O-N 3.31Å; Y23-R27 WeakPolarHBondContact O-CB 3.28Å; Y23-R27 PolarHBondContact O-N 2.95Å; Y23-C163 HydrophobicContact CD1-CB 4.31Å; Y23-C163 HydrophobicContact CE1-CB 3.99Å; Y23-G164 PolarHBondContact OH-O 3.12Å; Y23-F165 VanDerWaalsContact OH-C 3.3Å; Y23-F165 PolarHBondContact OH-N 3.16Å; Y23-F165 PolarHBondContact OH-O 2.9Å; Y23-F165 VanDerWaalsContact OH-O 3.11Å; Y23-I166 HydrophobicContact CE2-CB 4.3Å; Y23-I170 HydrophobicContact CD2-CG2 3.8Å; Y23-I170 HydrophobicContact CE2-CG2 3.9Å; Y23-F231 HydrophobicContact CD1-CZ 4.16Å; Y23-F231 HydrophobicContact CD2-CZ 4.25Å; Y23-F231 HydrophobicContact CE1-CZ 4.19Å; Y23-F231 HydrophobicContact CE2-CZ 4.3Å; Y23-F231 HydrophobicContact CG-CZ 4.18Å
24M87.4Confident86.2Confident82 Ų8281.4 Ų81.440%0.40436%0.355SS..Hα-helixtrans-68.1-39.7177.1-74.4-70.1-77.300112.4K20 S21 E22 Q28K20-M24 WeakPolarHBondContact O-CB 3.29Å; K20-M24 VanDerWaalsContact O-CG 3.27Å; K20-M24 WeakPolarHBondContact O-CG 3.18Å; K20-M24 PolarHBondContact O-N 3.39Å; S21-M24 PolarHBondContact O-N 3.26Å; S21-M24 VanDerWaalsContact O-N 3.14Å; E22-M24 VanDerWaalsContact C-N 3.31Å; E22-M24 PolarHBondContact O-N 3.4Å; M24-Q28 WeakPolarHBondContact O-CG 3.46Å; M24-Q28 PolarHBondContact O-N 2.84Å
25R89.9Confident86.5Confident121 Ų12181.2 Ų81.246%0.45736%0.357SS..Hα-helixtrans-61.2-53175.8-170.4-178.670.484.20.4111.5S21 E22 R27 Q28 L29S21-R25 PolarHBondContact O-N 2.82Å; E22-R25 VanDerWaalsContact CD-NE 3.3Å; E22-R25 PolarHBondContact O-N 2.86Å; E22-R25 WeakPolarHBondContact OE1-CD 3.47Å; E22-R25 IonicContact OE1-CZ 3.45Å; E22-R25 IonicContact OE1-NE 2.82Å; E22-R25 PolarHBondContact OE1-NE 3.23Å; E22-R25 IonicContact OE2-CZ 2.8Å; E22-R25 IonicContact OE2-NE 2.86Å; E22-R25 PolarHBondContact OE2-NE 2.69Å; E22-R25 IonicContact OE2-NH2 3.39Å; E22-R25 PolarHBondContact OE2-NH2 2.82Å; R25-R27 PolarHBondContact O-N 2.72Å; R25-Q28 PolarHBondContact O-N 2.74Å; R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 PolarHBondContact O-N 3.44Å
26L87.6Confident86.8Confident13 Ų1385.5 Ų85.57%0.06838%0.382CS..Hα-helixtrans-61.7-43.3178.2-69.2170.1000111.8E22 Q28 L29 K30 E173 L174 A177E22-L26 WeakPolarHBondContact O-CB 3.45Å; E22-L26 VanDerWaalsContact O-CG 3.31Å; E22-L26 WeakPolarHBondContact O-CG 3.37Å; E22-L26 PolarHBondContact O-N 3.41Å; L26-Q28 PolarHBondContact O-N 3.03Å; L26-L29 PolarHBondContact O-N 2.72Å; L26-K30 PolarHBondContact O-N 2.98Å; L26-E173 HydrophobicContact CD1-CB 4.2Å; L26-E173 HydrophobicContact CD2-CB 4.47Å; L26-L174 HydrophobicContact CD1-CB 4.13Å; L26-L174 HydrophobicContact CD1-CD1 4.32Å; L26-A177 HydrophobicContact CD1-CB 4.16Å
27R86.8Confident87.1Confident117 Ų11785.6 Ų85.644%0.44239%0.386SS..Hα-helixtrans-63.2-39.6177.6-177.8175.4174-125.70112.4Y23 R25 R31Y23-R27 WeakPolarHBondContact O-CB 3.28Å; Y23-R27 PolarHBondContact O-N 2.95Å; R25-R27 PolarHBondContact O-N 2.72Å; R27-R31 VanDerWaalsContact O-CB 3.27Å; R27-R31 WeakPolarHBondContact O-CB 3.21Å; R27-R31 PolarHBondContact O-N 2.97Å
28Q86.2Confident87.4Confident100 Ų10081.6 Ų81.647%0.46738%0.375SS..Hα-helixtrans-66.5-46.9173.3-73.5-174.627.200111.6M24 R25 L26 R31 F32M24-Q28 WeakPolarHBondContact O-CG 3.46Å; M24-Q28 PolarHBondContact O-N 2.84Å; R25-Q28 PolarHBondContact O-N 2.74Å; L26-Q28 PolarHBondContact O-N 3.03Å; Q28-R31 WeakPolarHBondContact O-CB 3.49Å; Q28-R31 PolarHBondContact O-N 2.65Å; Q28-R31 VanDerWaalsContact O-N 3.13Å; Q28-F32 WeakPolarHBondContact O-CD2 3.26Å; Q28-F32 PolarHBondContact O-N 3.12Å
29L86.3Confident87.8Confident105 Ų10585.8 Ų85.855%0.5540%0.395SS..Hα-helixtrans-59.9-48.1179.9-17662.2000112R25 L26 R31 F32 R33R25-L29 WeakPolarHBondContact O-CB 3.43Å; R25-L29 PolarHBondContact O-N 3.44Å; L26-L29 PolarHBondContact O-N 2.72Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 2.77Å; L29-F32 PolarHBondContact O-N 3Å; L29-R33 WeakPolarHBondContact O-CB 3.49Å; L29-R33 PolarHBondContact O-N 3.07Å
30K85.1Confident88.1Confident33 Ų3389.5 Ų89.514%0.14342%0.421CS..Hα-helixtrans-59.9-41.1172.3-84.8-167.9-170.8-84.70112.2L26 F32 R33 R34 E169 I170 E173L26-K30 PolarHBondContact O-N 2.98Å; K30-F32 PolarHBondContact O-N 3.02Å; K30-R33 PolarHBondContact O-N 2.94Å; K30-R34 VanDerWaalsContact O-CB 3.28Å; K30-R34 WeakPolarHBondContact O-CB 3.48Å; K30-R34 WeakPolarHBondContact O-CG 3.27Å; K30-R34 PolarHBondContact O-N 2.79Å; K30-E169 IonicContact NZ-OE2 3.63Å; K30-E169 PolarHBondContact NZ-OE2 3.46Å; K30-I170 HydrophobicContact CD-CD1 4.18Å; K30-I170 HydrophobicContact CD-CG1 3.66Å; K30-E173 WeakPolarHBondContact CE-OE1 3.42Å; K30-E173 WeakPolarHBondContact CE-OE2 3.21Å; K30-E173 IonicContact NZ-OE1 3.51Å; K30-E173 PolarHBondContact NZ-OE1 2.84Å; K30-E173 IonicContact NZ-OE2 3.67Å
31R84.9Confident88.4Confident158 Ų15892 Ų9260%0.59644%0.435SS*.Hα-helixtrans-62.1-42.6179.5-174.4-171.268.6172.70.2111.8R27 Q28 L29 A35R27-R31 VanDerWaalsContact O-CB 3.27Å; R27-R31 WeakPolarHBondContact O-CB 3.21Å; R27-R31 PolarHBondContact O-N 2.97Å; Q28-R31 WeakPolarHBondContact O-CB 3.49Å; Q28-R31 PolarHBondContact O-N 2.65Å; Q28-R31 VanDerWaalsContact O-N 3.13Å; L29-R31 VanDerWaalsContact C-N 3.34Å; L29-R31 PolarHBondContact O-N 2.77Å; R31-A35 PolarHBondContact O-N 2.72Å
32F85.6Confident88.8Confident125 Ų12595.1 Ų95.155%0.54844%0.44SS..Hα-helixtrans-68.2-48.4175.6-72.8-65.2000111.4Q28 L29 K30 R34 A35Q28-F32 WeakPolarHBondContact O-CD2 3.26Å; Q28-F32 PolarHBondContact O-N 3.12Å; L29-F32 PolarHBondContact O-N 3Å; K30-F32 PolarHBondContact O-N 3.02Å; F32-R34 VanDerWaalsContact C-N 3.33Å; F32-R34 PolarHBondContact O-N 2.82Å; F32-A35 VanDerWaalsContact O-CB 3.25Å; F32-A35 WeakPolarHBondContact O-CB 3.3Å; F32-A35 PolarHBondContact O-N 2.92Å
33R83.8Confident89.2Confident201 Ų20198.1 Ų98.176%0.75846%0.462SS*.Hα-helixtrans-59.2-40.8179-170.3176.5-175.8172.83.8113L29 K30 A35L29-R33 WeakPolarHBondContact O-CB 3.49Å; L29-R33 PolarHBondContact O-N 3.07Å; K30-R33 PolarHBondContact O-N 2.94Å; R33-A35 VanDerWaalsContact C-N 3.32Å; R33-A35 PolarHBondContact O-N 3.13Å
34R86Confident89.5Confident96 Ų9699.8 Ų99.836%0.36247%0.474SS..Hα-helixtrans-78.5-7.4176.9-71-168.6150.4141.8-0.9114.2K30 F32 D36 E37 V38 E169K30-R34 VanDerWaalsContact O-CB 3.28Å; K30-R34 WeakPolarHBondContact O-CB 3.48Å; K30-R34 WeakPolarHBondContact O-CG 3.27Å; K30-R34 PolarHBondContact O-N 2.79Å; F32-R34 VanDerWaalsContact C-N 3.33Å; F32-R34 PolarHBondContact O-N 2.82Å; R34-D36 PolarHBondContact O-N 2.78Å; R34-E37 PolarHBondContact O-N 3.37Å; R34-V38 HydrophobicContact CB-CG2 4.38Å; R34-V38 WeakPolarHBondContact O-CB 3.45Å; R34-V38 WeakPolarHBondContact O-CG2 3.48Å; R34-V38 PolarHBondContact O-N 3.38Å; R34-E169 IonicContact CZ-OE1 2.73Å; R34-E169 IonicContact CZ-OE2 2.62Å; R34-E169 IonicContact NH1-OE1 2.67Å; R34-E169 PolarHBondContact NH1-OE1 3.1Å; R34-E169 IonicContact NH1-OE2 3.63Å; R34-E169 PolarHBondContact NH1-OE2 2.84Å; R34-E169 IonicContact NH2-OE1 2.71Å; R34-E169 PolarHBondContact NH2-OE1 3.41Å; R34-E169 IonicContact NH2-OE2 2.9Å; R34-E169 PolarHBondContact NH2-OE2 2.86Å
35A89.9Confident90Very high49 Ų4999.6 Ų99.641%0.40547%0.474SS..Hα-helixtrans-62.1-46.6-174.600000112.1R31 F32 R33 K39R31-A35 PolarHBondContact O-N 2.72Å; F32-A35 VanDerWaalsContact O-CB 3.25Å; F32-A35 WeakPolarHBondContact O-CB 3.3Å; F32-A35 PolarHBondContact O-N 2.92Å; R33-A35 VanDerWaalsContact C-N 3.32Å; R33-A35 PolarHBondContact O-N 3.13Å; A35-K39 VanDerWaalsContact O-CB 3.26Å; A35-K39 WeakPolarHBondContact O-CB 3.33Å; A35-K39 PolarHBondContact O-N 3.01Å
36D87.3Confident90.4Very high111 Ų111100.9 Ų100.959%0.59448%0.479SS*.Hα-helixtrans-76-34.6179.8-67.8-54.9000112.8R34 K39 S40R34-D36 PolarHBondContact O-N 2.78Å; D36-K39 PolarHBondContact O-N 3.38Å; D36-S40 WeakPolarHBondContact O-CB 3.19Å; D36-S40 PolarHBondContact O-N 3.33Å
37E89.4Confident90.8Very high105 Ų105105.5 Ų105.549%0.49150%0.5SS..Hα-helixtrans-57.2-50.4169.6-63.2176-178.100110.7R34 S40 M41R34-E37 PolarHBondContact O-N 3.37Å; E37-S40 WeakPolarHBondContact O-CB 3.34Å; E37-S40 PolarHBondContact O-N 2.87Å; E37-M41 WeakPolarHBondContact O-CB 3.37Å; E37-M41 VanDerWaalsContact O-CG 3.31Å; E37-M41 WeakPolarHBondContact O-CG 3.29Å; E37-M41 PolarHBondContact O-N 3.12Å
38V92.7Very high91.4Very high71 Ų71104.4 Ų104.443%0.4350%0.499SS..Hα-helixtrans-65.9-39.1179.2167.30000111.4R34 M41 F42R34-V38 HydrophobicContact CB-CG2 4.38Å; R34-V38 WeakPolarHBondContact O-CB 3.45Å; R34-V38 WeakPolarHBondContact O-CG2 3.48Å; R34-V38 PolarHBondContact O-N 3.38Å; V38-M41 PolarHBondContact O-N 3.45Å; V38-F42 HydrophobicContact CG1-CD2 3.59Å; V38-F42 HydrophobicContact CG1-CE2 3.5Å; V38-F42 WeakPolarHBondContact O-CB 3.48Å; V38-F42 VanDerWaalsContact O-CD2 3.26Å; V38-F42 WeakPolarHBondContact O-CD2 3.5Å; V38-F42 PolarHBondContact O-N 3.47Å
39K93.8Very high91.9Very high147 Ų147102.8 Ų102.864%0.63949%0.492SS*.Hα-helixtrans-62.6-42.3174.6-177.1179.7175.2-173.30112.1A35 D36 F42 S43A35-K39 VanDerWaalsContact O-CB 3.26Å; A35-K39 WeakPolarHBondContact O-CB 3.33Å; A35-K39 PolarHBondContact O-N 3.01Å; D36-K39 PolarHBondContact O-N 3.38Å; K39-F42 PolarHBondContact O-N 3.08Å; K39-S43 PolarHBondContact O-N 3.33Å; K39-S43 VanDerWaalsContact O-N 3.11Å
40S93.9Very high92.5Very high79 Ų79102 Ų10255%0.55249%0.488SS*.Hα-helixtrans-63.2-46.3173.1-173.50000111.5D36 E37 F42 S43 S44D36-S40 WeakPolarHBondContact O-CB 3.19Å; D36-S40 PolarHBondContact O-N 3.33Å; E37-S40 WeakPolarHBondContact O-CB 3.34Å; E37-S40 PolarHBondContact O-N 2.87Å; S40-F42 PolarHBondContact O-N 3.01Å; S40-S43 WeakPolarHBondContact O-CB 3.42Å; S40-S43 PolarHBondContact O-N 2.88Å; S40-S43 VanDerWaalsContact O-N 3.1Å; S40-S44 PolarHBondContact O-N 3.16Å
41M94.7Very high93.1Very high131 Ų131106 Ų10665%0.64551%0.507SS*.Hα-helixtrans-62.8-37.1176.4-73.4-66.5-73.300113E37 V38 S44 N45E37-M41 WeakPolarHBondContact O-CB 3.37Å; E37-M41 VanDerWaalsContact O-CG 3.31Å; E37-M41 WeakPolarHBondContact O-CG 3.29Å; E37-M41 PolarHBondContact O-N 3.12Å; V38-M41 PolarHBondContact O-N 3.45Å; M41-S44 PolarHBondContact O-N 3.38Å; M41-N45 VanDerWaalsContact O-CB 3.23Å; M41-N45 WeakPolarHBondContact O-CB 3.33Å; M41-N45 PolarHBondContact O-N 2.71Å
42F96.3Very high93.7Very high141 Ų141106.6 Ų106.662%0.61851%0.51SS*.Hα-helixtrans-63.7-38.9171.9-90.7-63.9000112.1V38 K39 S40 N45 R46V38-F42 HydrophobicContact CG1-CD2 3.59Å; V38-F42 HydrophobicContact CG1-CE2 3.5Å; V38-F42 WeakPolarHBondContact O-CB 3.48Å; V38-F42 VanDerWaalsContact O-CD2 3.26Å; V38-F42 WeakPolarHBondContact O-CD2 3.5Å; V38-F42 PolarHBondContact O-N 3.47Å; K39-F42 PolarHBondContact O-N 3.08Å; S40-F42 PolarHBondContact O-N 3.01Å; F42-N45 PolarHBondContact O-N 3.19Å; F42-R46 WeakPolarHBondContact O-CB 3.34Å; F42-R46 PolarHBondContact O-N 3.32Å
43S96Very high94.3Very high74 Ų74104 Ų10452%0.51750%0.504SS..Hα-helixtrans-64.3-49175.3-166.50000111.8K39 S40 N45 R46 Q47K39-S43 PolarHBondContact O-N 3.33Å; K39-S43 VanDerWaalsContact O-N 3.11Å; S40-S43 WeakPolarHBondContact O-CB 3.42Å; S40-S43 PolarHBondContact O-N 2.88Å; S40-S43 VanDerWaalsContact O-N 3.1Å; S43-N45 VanDerWaalsContact C-N 3.33Å; S43-N45 PolarHBondContact O-N 2.79Å; S43-R46 WeakPolarHBondContact O-CB 3.46Å; S43-R46 PolarHBondContact O-N 2.69Å; S43-R46 VanDerWaalsContact O-N 3.09Å; S43-Q47 PolarHBondContact O-N 2.97Å
44S96.8Very high95Very high37 Ų3798.1 Ų98.126%0.25949%0.485SS..Hα-helixtrans-61.8-39.1175.2-178.80000112.4S40 M41 R46 Q47 K48S40-S44 PolarHBondContact O-N 3.16Å; M41-S44 PolarHBondContact O-N 3.38Å; S44-R46 VanDerWaalsContact C-N 3.33Å; S44-Q47 PolarHBondContact O-N 3.41Å; S44-K48 WeakPolarHBondContact O-CG 3.34Å; S44-K48 PolarHBondContact O-N 3.11Å
45N97.5Very high95.6Very high77 Ų7798.5 Ų98.541%0.41249%0.494SS..Hα-helixtrans-68.2-33.6174.6-167.846.2000111.8M41 F42 S43 K48 I49M41-N45 VanDerWaalsContact O-CB 3.23Å; M41-N45 WeakPolarHBondContact O-CB 3.33Å; M41-N45 PolarHBondContact O-N 2.71Å; F42-N45 PolarHBondContact O-N 3.19Å; S43-N45 VanDerWaalsContact C-N 3.33Å; S43-N45 PolarHBondContact O-N 2.79Å; N45-K48 PolarHBondContact O-N 3.42Å; N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.48Å; N45-I49 PolarHBondContact O-N 3.11Å
46R97.5Very high95.9Very high148 Ų148101.3 Ų101.356%0.55850%0.501SS*.Hα-helixtrans-66-36.4175-176.358.3177.9-170.81.9112.1F42 S43 S44 I49 L50F42-R46 WeakPolarHBondContact O-CB 3.34Å; F42-R46 PolarHBondContact O-N 3.32Å; S43-R46 WeakPolarHBondContact O-CB 3.46Å; S43-R46 PolarHBondContact O-N 2.69Å; S43-R46 VanDerWaalsContact O-N 3.09Å; S44-R46 VanDerWaalsContact C-N 3.33Å; R46-I49 PolarHBondContact O-N 3.49Å; R46-L50 HydrophobicContact CG-CD1 4.25Å; R46-L50 WeakPolarHBondContact O-CB 3.43Å; R46-L50 VanDerWaalsContact O-CG 3.27Å; R46-L50 WeakPolarHBondContact O-CG 3.13Å; R46-L50 PolarHBondContact O-N 3.29Å
47Q97.1Very high96.4Very high111 Ų11198.7 Ų98.752%0.51949%0.487SS..Hα-helixtrans-60.3-51.7170.9-68.4170.9-38.800111.1S43 S44 I49 L50 E51S43-Q47 PolarHBondContact O-N 2.97Å; S44-Q47 PolarHBondContact O-N 3.41Å; Q47-I49 VanDerWaalsContact C-N 3.27Å; Q47-I49 PolarHBondContact O-N 2.92Å; Q47-L50 WeakPolarHBondContact O-CB 3.4Å; Q47-L50 PolarHBondContact O-N 2.96Å; Q47-E51 WeakPolarHBondContact O-CG 3.43Å; Q47-E51 PolarHBondContact O-N 2.77Å
48K97.8Very high96.8Very high93 Ų9397.9 Ų97.940%0.40448%0.483SS..Hα-helixtrans-58.7-35.3176.3-66.7166-174.9164.80113.1S44 N45 R52S44-K48 WeakPolarHBondContact O-CG 3.34Å; S44-K48 PolarHBondContact O-N 3.11Å; N45-K48 PolarHBondContact O-N 3.42Å; K48-R52 WeakPolarHBondContact O-CB 3.41Å; K48-R52 VanDerWaalsContact O-CD 3.29Å; K48-R52 WeakPolarHBondContact O-CD 3.47Å; K48-R52 WeakPolarHBondContact O-CG 3.36Å; K48-R52 PolarHBondContact O-N 3.26Å
49I98.3Very high97Very high66 Ų6698.3 Ų98.334%0.33848%0.481SS..Hα-helixtrans-65-53.1172.3-72.2163.5000109.7N45 R46 Q47 E51 R52 T53N45-I49 VanDerWaalsContact O-CG1 3.26Å; N45-I49 WeakPolarHBondContact O-CG1 3.48Å; N45-I49 PolarHBondContact O-N 3.11Å; R46-I49 PolarHBondContact O-N 3.49Å; Q47-I49 VanDerWaalsContact C-N 3.27Å; Q47-I49 PolarHBondContact O-N 2.92Å; I49-E51 PolarHBondContact O-N 2.88Å; I49-R52 PolarHBondContact O-N 2.56Å; I49-T53 HydrophobicContact CG2-CG2 4.1Å; I49-T53 WeakPolarHBondContact O-CB 3.23Å; I49-T53 WeakPolarHBondContact O-CG2 3.35Å; I49-T53 PolarHBondContact O-N 3.49Å; I49-T53 PolarHBondContact O-OG1 2.83Å
50L97.9Very high97.2Very high88 Ų8899.7 Ų99.746%0.46148%0.482SS..Hα-helixtrans-56.1-50.1-178.2-73.6167000111.9R46 Q47 R52 T53 E54R46-L50 HydrophobicContact CG-CD1 4.25Å; R46-L50 WeakPolarHBondContact O-CB 3.43Å; R46-L50 VanDerWaalsContact O-CG 3.27Å; R46-L50 WeakPolarHBondContact O-CG 3.13Å; R46-L50 PolarHBondContact O-N 3.29Å; Q47-L50 WeakPolarHBondContact O-CB 3.4Å; Q47-L50 PolarHBondContact O-N 2.96Å; L50-R52 PolarHBondContact O-N 2.89Å; L50-T53 WeakPolarHBondContact CA-OG1 3.37Å; L50-T53 PolarHBondContact O-N 2.98Å; L50-T53 PolarHBondContact O-OG1 3.03Å; L50-E54 PolarHBondContact O-N 3.41Å
51E97.8Very high97.3Very high117 Ų117100.7 Ų100.755%0.54748%0.476SS..Hα-helixtrans-52.7-54.2175.6-70.3160.3-163.600111.9Q47 I49 T53 E54 I55Q47-E51 WeakPolarHBondContact O-CG 3.43Å; Q47-E51 PolarHBondContact O-N 2.77Å; I49-E51 PolarHBondContact O-N 2.88Å; E51-T53 PolarHBondContact O-N 3.48Å; E51-E54 PolarHBondContact O-N 2.8Å; E51-I55 WeakPolarHBondContact O-CG1 3.37Å; E51-I55 PolarHBondContact O-N 2.81Å; E51-I55 VanDerWaalsContact O-N 3.08Å
52R98.1Very high97.4Very high172 Ų172101.8 Ų101.865%0.64948%0.48SS*.Hα-helixtrans-64.6-41.1-179.8-69.8170.3-178.6-170.1-3112.2K48 I49 L50 E54 I55 L56K48-R52 WeakPolarHBondContact O-CB 3.41Å; K48-R52 VanDerWaalsContact O-CD 3.29Å; K48-R52 WeakPolarHBondContact O-CD 3.47Å; K48-R52 WeakPolarHBondContact O-CG 3.36Å; K48-R52 PolarHBondContact O-N 3.26Å; I49-R52 PolarHBondContact O-N 2.56Å; L50-R52 PolarHBondContact O-N 2.89Å; R52-E54 VanDerWaalsContact C-N 3.35Å; R52-I55 PolarHBondContact O-N 3.24Å; R52-L56 WeakPolarHBondContact O-CG 3.47Å; R52-L56 PolarHBondContact O-N 3.42Å; R52-L56 VanDerWaalsContact O-N 3.12Å
53T98.3Very high97.3Very high69 Ų69101.9 Ų101.942%0.42348%0.476SS..Hα-helixtrans-67.4-35.1178.252.50000112I49 L50 E51 L56 N57I49-T53 HydrophobicContact CG2-CG2 4.1Å; I49-T53 WeakPolarHBondContact O-CB 3.23Å; I49-T53 WeakPolarHBondContact O-CG2 3.35Å; I49-T53 PolarHBondContact O-N 3.49Å; I49-T53 PolarHBondContact O-OG1 2.83Å; L50-T53 WeakPolarHBondContact CA-OG1 3.37Å; L50-T53 PolarHBondContact O-N 2.98Å; L50-T53 PolarHBondContact O-OG1 3.03Å; E51-T53 PolarHBondContact O-N 3.48Å; T53-L56 PolarHBondContact O-N 2.83Å; T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 PolarHBondContact O-N 3.45Å
54E97.9Very high97.2Very high79 Ų79110.2 Ų110.237%0.36950%0.496SS..Hα-helixtrans-75-33.4178-172.954.8-155.800112L50 E51 R52 N57 Q58 K61L50-E54 PolarHBondContact O-N 3.41Å; E51-E54 PolarHBondContact O-N 2.8Å; R52-E54 VanDerWaalsContact C-N 3.35Å; E54-N57 WeakPolarHBondContact O-CB 3.06Å; E54-N57 PolarHBondContact O-N 3.5Å; E54-N57 WeakPolarHBondContact OE2-CB 3.46Å; E54-N57 PolarHBondContact OE2-ND2 3.47Å; E54-Q58 HydrophobicContact CG-CG 4.42Å; E54-Q58 WeakPolarHBondContact O-CB 3.28Å; E54-Q58 VanDerWaalsContact O-CG 3.26Å; E54-Q58 WeakPolarHBondContact O-CG 3.47Å; E54-Q58 PolarHBondContact O-N 3.3Å; E54-Q58 WeakPolarHBondContact OE1-CG 3.4Å; E54-Q58 PolarHBondContact OE1-NE2 2.93Å; E54-K61 IonicContact OE1-NZ 2.72Å; E54-K61 PolarHBondContact OE1-NZ 3.04Å; E54-K61 IonicContact OE2-NZ 2.72Å
55I97.8Very high97.1Very high104 Ų104114.8 Ų114.853%0.53352%0.517SS..Hα-helixtrans-57.8-50.9169-67.2164.3000110.2E51 R52 N57 Q58 E59E51-I55 WeakPolarHBondContact O-CG1 3.37Å; E51-I55 PolarHBondContact O-N 2.81Å; E51-I55 VanDerWaalsContact O-N 3.08Å; R52-I55 PolarHBondContact O-N 3.24Å; I55-N57 VanDerWaalsContact C-N 3.31Å; I55-N57 PolarHBondContact O-N 3.25Å; I55-Q58 PolarHBondContact O-N 3.28Å; I55-E59 PolarHBondContact O-N 3.43Å
56L97.9Very high96.8Very high108 Ų108119.1 Ų119.157%0.56553%0.534SS*.Hα-helixtrans-63.5-34.6177-67.3170.7000112.7R52 T53 W60R52-L56 WeakPolarHBondContact O-CG 3.47Å; R52-L56 PolarHBondContact O-N 3.42Å; R52-L56 VanDerWaalsContact O-N 3.12Å; T53-L56 PolarHBondContact O-N 2.83Å; L56-W60 VanDerWaalsContact O-CB 3.3Å; L56-W60 WeakPolarHBondContact O-CB 3.35Å; L56-W60 PolarHBondContact O-N 2.92Å
57N98Very high96.6Very high56 Ų56116.5 Ų116.530%0.29954%0.537SS..Hα-helixtrans-67.3-39.5175.4-167.919.1000111.5T53 E54 I55 W60 K61T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 PolarHBondContact O-N 3.45Å; E54-N57 WeakPolarHBondContact O-CB 3.06Å; E54-N57 PolarHBondContact O-N 3.5Å; E54-N57 WeakPolarHBondContact OE2-CB 3.46Å; E54-N57 PolarHBondContact OE2-ND2 3.47Å; I55-N57 VanDerWaalsContact C-N 3.31Å; I55-N57 PolarHBondContact O-N 3.25Å; N57-W60 PolarHBondContact O-N 2.95Å; N57-K61 VanDerWaalsContact ND2-CE 3.33Å; N57-K61 WeakPolarHBondContact ND2-CE 3.27Å; N57-K61 PolarHBondContact ND2-NZ 3.26Å; N57-K61 WeakPolarHBondContact O-CB 3.28Å; N57-K61 WeakPolarHBondContact O-CD 3.21Å; N57-K61 WeakPolarHBondContact O-CG 3.38Å; N57-K61 PolarHBondContact O-N 2.91Å; N57-K61 VanDerWaalsContact OD1-CE 3.27Å; N57-K61 WeakPolarHBondContact OD1-CE 3.13Å
58Q97Very high96.3Very high88 Ų88118.4 Ų118.441%0.41156%0.555SS.*Hα-helixtrans-68.8-42.4174.7-68.6-66.4-1900111.8E54 I55 W60 K61 Q62E54-Q58 HydrophobicContact CG-CG 4.42Å; E54-Q58 WeakPolarHBondContact O-CB 3.28Å; E54-Q58 VanDerWaalsContact O-CG 3.26Å; E54-Q58 WeakPolarHBondContact O-CG 3.47Å; E54-Q58 PolarHBondContact O-N 3.3Å; E54-Q58 WeakPolarHBondContact OE1-CG 3.4Å; E54-Q58 PolarHBondContact OE1-NE2 2.93Å; I55-Q58 PolarHBondContact O-N 3.28Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 2.81Å; Q58-K61 PolarHBondContact O-N 3.49Å; Q58-Q62 WeakPolarHBondContact O-CG 3.26Å; Q58-Q62 PolarHBondContact O-N 3.14Å
59E97.3Very high95.6Very high80 Ų80120.6 Ų120.637%0.37457%0.567SS.*Hα-helixtrans-58.5-37.2169.4-79.1-168.7-13300112.7I55 R63I55-E59 PolarHBondContact O-N 3.43Å; E59-R63 WeakPolarHBondContact O-CD 3.3Å; E59-R63 VanDerWaalsContact O-CG 3.28Å; E59-R63 WeakPolarHBondContact O-CG 3.41Å; E59-R63 PolarHBondContact O-NE 2.86Å; E59-R63 VanDerWaalsContact O-NE 3.15Å; E59-R63 IonicContact OE2-CZ 3.88Å; E59-R63 IonicContact OE2-NH2 2.69Å; E59-R63 PolarHBondContact OE2-NH2 3.04Å
60W96.9Very high94.9Very high176 Ų176124.9 Ų124.967%0.66759%0.589SS**Hα-helixtrans-72.2-44.6178.4179.180.4000112.1L56 N57 Q58 Q62 R63L56-W60 VanDerWaalsContact O-CB 3.3Å; L56-W60 WeakPolarHBondContact O-CB 3.35Å; L56-W60 PolarHBondContact O-N 2.92Å; N57-W60 PolarHBondContact O-N 2.95Å; Q58-W60 VanDerWaalsContact C-N 3.26Å; Q58-W60 PolarHBondContact O-N 2.81Å; W60-Q62 PolarHBondContact O-N 3.39Å; W60-Q62 VanDerWaalsContact O-N 3.13Å; W60-R63 PolarHBondContact O-N 3.26Å
61K96.1Very high93.8Very high100 Ų100127.7 Ų127.744%0.43560%0.603SS.*Hα-helixtrans-55.3-29.7175.4-73.7161.7-165.9163.10113.1E54 N57 Q58E54-K61 IonicContact OE1-NZ 2.72Å; E54-K61 PolarHBondContact OE1-NZ 3.04Å; E54-K61 IonicContact OE2-NZ 2.72Å; N57-K61 VanDerWaalsContact ND2-CE 3.33Å; N57-K61 WeakPolarHBondContact ND2-CE 3.27Å; N57-K61 PolarHBondContact ND2-NZ 3.26Å; N57-K61 WeakPolarHBondContact O-CB 3.28Å; N57-K61 WeakPolarHBondContact O-CD 3.21Å; N57-K61 WeakPolarHBondContact O-CG 3.38Å; N57-K61 PolarHBondContact O-N 2.91Å; N57-K61 VanDerWaalsContact OD1-CE 3.27Å; N57-K61 WeakPolarHBondContact OD1-CE 3.13Å; Q58-K61 PolarHBondContact O-N 3.49Å
62Q96.3Very high92.3Very high153 Ų153126.7 Ų126.772%0.71561%0.605SS**THydrogen-bonded Turntrans-76.4-21.1177-68.1170.923.900113.4Q58 W60Q58-Q62 WeakPolarHBondContact O-CG 3.26Å; Q58-Q62 PolarHBondContact O-N 3.14Å; W60-Q62 PolarHBondContact O-N 3.39Å; W60-Q62 VanDerWaalsContact O-N 3.13Å
63R95.7Very high90.3Very high143 Ų143123.2 Ų123.254%0.5461%0.608SS.*  trans-92.4105-173.6-64.6166.1-162.8-140.68.7111.3E59 W60 I65E59-R63 WeakPolarHBondContact O-CD 3.3Å; E59-R63 VanDerWaalsContact O-CG 3.28Å; E59-R63 WeakPolarHBondContact O-CG 3.41Å; E59-R63 PolarHBondContact O-NE 2.86Å; E59-R63 VanDerWaalsContact O-NE 3.15Å; E59-R63 IonicContact OE2-CZ 3.88Å; E59-R63 IonicContact OE2-NH2 2.69Å; E59-R63 PolarHBondContact OE2-NH2 3.04Å; W60-R63 PolarHBondContact O-N 3.26Å; R63-I65 VanDerWaalsContact C-N 3.32Å; R63-I65 HydrophobicContact CB-CD1 4.15Å; R63-I65 HydrophobicContact CB-CG1 4.11Å; R63-I65 PolarHBondContact O-N 2.75Å
64R93.4Very high88.5Confident249 Ų249125.5 Ų125.594%0.9462%0.621SS**  trans-80.475.4171.2-65.6-171.2179.9-139.9-0.1111.5
65I94.6Very high86.8Confident134 Ų134126.9 Ų126.969%0.68764%0.64SS**PPolyproline II helixtrans-78.6135.7173.9-50.8-55.8000109.5R63R63-I65 VanDerWaalsContact C-N 3.32Å; R63-I65 HydrophobicContact CB-CD1 4.15Å; R63-I65 HydrophobicContact CB-CG1 4.11Å; R63-I65 PolarHBondContact O-N 2.75Å
66Q91.9Very high85.2Confident167 Ų167124.4 Ų124.478%0.7863%0.631SS**PPolyproline II helixtrans-71.2132.2171.8-70.2-179.6-11.500109.8
67P91.9Very high83.8Confident94 Ų94125.7 Ų125.761%0.6164%0.638SS**PPolyproline II helixtrans-68.6164.2174.731.1-35.4000111.1H69P67-H69 PolarHBondContact O-CD2 2.74Å; P67-H69 PolarHBondContact O-N 3.27Å
68V90.7Very high82.4Confident150 Ų150135.7 Ų135.791%0.90967%0.672SS**PPolyproline II helixtrans-67128.3175.1-178.20000109.6
69H84.6Confident81.3Confident140 Ų140135.2 Ų135.265%0.64869%0.69SS**  trans-107.7140.6175.5-66.9-75.8000110.8P67P67-H69 PolarHBondContact O-CD2 2.74Å; P67-H69 PolarHBondContact O-N 3.27Å
70I83.6Confident80.6Confident156 Ų156134.4 Ų134.480%0.869%0.691SS**  trans-77.1124.8171.3-58.7174.6000108.2
71L73.6Confident80.1Confident146 Ų146135.3 Ų135.376%0.76469%0.694SS**  trans-109.698.5-176.4-170.580.5000111.3
72T66.6Low79.8Confident96 Ų96136 Ų13659%0.58970%0.699SS**  trans-129.348.7178.4-390000110.8
73S55.6Low79.6Confident100 Ų100131 Ų13170%0.69968%0.681SS**  trans-83.5-9.5-170.556.10000115.4
74V60.7Low79.4Confident117 Ų117128.1 Ų128.171%0.70968%0.682SS**SBendtrans-139.7137.6174.8-175.40000107.4S76V74-S76 PolarHBondContact O-N 3.25Å
75S63.6Low79.5Confident108 Ų108120 Ų12076%0.75566%0.66SS**PPolyproline II helixtrans-54.2132.9176.9-50.50000111.3L77S75-L77 PolarHBondContact O-N 3.43Å; S75-L77 VanDerWaalsContact O-N 3.14Å
76S62.9Low79.5Confident51 Ų51118.3 Ų118.336%0.35766%0.656SS.*PPolyproline II helixtrans-48119.6-179.9-580000111.6V74 R78V74-S76 PolarHBondContact O-N 3.25Å; S76-R78 PolarHBondContact O-N 3.49Å
77L69.3Low79.7Confident136 Ų136112.6 Ų112.671%0.71264%0.635SS**PPolyproline II helixtrans-61.3129.3170.3-66.3172.1000107.6S75 G79 T80S75-L77 PolarHBondContact O-N 3.43Å; S75-L77 VanDerWaalsContact O-N 3.14Å; L77-G79 PolarHBondContact O-N 2.77Å; L77-T80 PolarHBondContact O-N 2.77Å; L77-T80 PolarHBondContact O-OG1 3.46Å
78R67.6Low79.7Confident265 Ų265116 Ų116100%165%0.647SS**THydrogen-bonded Turntrans-56-4.9-170.8-68.1-170179.1-165.51.9116.8S76S76-R78 PolarHBondContact O-N 3.49Å
79G74.8Confident79.8Confident78 Ų78115.2 Ų115.280%0.80464%0.638SS**THydrogen-bonded Turntrans-97.2-4.1172.400000115.6L77L77-G79 PolarHBondContact O-N 2.77Å
80T82.3Confident80Confident63 Ų63116.4 Ų116.439%0.38765%0.649SS.*SBendtrans-74.9127.9172.853.80000110.1L77L77-T80 PolarHBondContact O-N 2.77Å; L77-T80 PolarHBondContact O-OG1 3.46Å
81R87.3Confident80.5Confident196 Ų196115.7 Ų115.774%0.7464%0.64SS**  trans-65.1150.8169-57.4-176.380.9174.35.3109.3L98R81-L98 HydrophobicContact CB-CB 4.43Å; R81-L98 WeakPolarHBondContact O-CB 3.41Å; R81-L98 PolarHBondContact O-N 3.01Å
82E88.9Confident81.5Confident114 Ų114113.7 Ų113.753%0.53364%0.636SS.*EExtended strand (participates in β ladder)trans-117.2159.6-179.6-62.1-176.1151.900110.6V95 I96E82-V95 HydrophobicContact CB-CG1 3.93Å; E82-V95 HydrophobicContact CG-CG1 4.46Å; E82-I96 CarbonylContact C-O 3.47Å; E82-I96 WeakPolarHBondContact CA-O 3.5Å
83C91.6Very high82.7Confident49 Ų49112.9 Ų112.933%0.33163%0.631SS.*EExtended strand (participates in β ladder)trans-126126.8175179.80000108.6V95 I96 L98C83-V95 WeakPolarHBondContact O-CA 3.29Å; C83-I96 HydrophobicContact CB-CG1 4.27Å; C83-I96 PolarHBondContact N-O 2.83Å; C83-I96 PolarHBondContact O-N 2.82Å; C83-L98 HydrophobicContact CB-CB 4.29Å; C83-L98 HydrophobicContact CB-CD1 4.27Å
84S92.8Very high84.5Confident81 Ų81114.6 Ų114.657%0.56663%0.628SS**EExtended strand (participates in β ladder)trans-106.7130.617955.60000110.9Q94S84-Q94 CarbonylContact C-O 3.27Å; S84-Q94 VanDerWaalsContact CA-O 3.29Å; S84-Q94 WeakPolarHBondContact CA-O 3.19Å
85V95.4Very high85.8Confident78 Ų78112.9 Ų112.947%0.47362%0.617SS.*EExtended strand (participates in β ladder)trans-115.2111.4173.3-177.80000108.7T93 Q94V85-T93 WeakPolarHBondContact O-CA 3.16Å; V85-Q94 PolarHBondContact N-O 2.93Å; V85-Q94 PolarHBondContact O-N 2.93Å
86T94.9Very high87Confident100 Ų100112.1 Ų112.161%0.61360%0.604SS**  trans-78.9166.817249.80000110.9T93T86-T93 HydrophobicContact CG2-CG2 4.07Å
87S94.3Very high88.2Confident47 Ų47112.2 Ų112.233%0.32960%0.604SS.*  trans-137.6130.7175.8-1750000110.8L89S87-L89 PolarHBondContact O-N 2.88Å; S87-L89 VanDerWaalsContact O-N 3.16Å; S87-L89 PolarHBondContact OG-N 3.31Å
88D93.9Very high89.2Confident164 Ų164110 Ų11088%0.87759%0.592SS**THydrogen-bonded Turntrans-7810.7176.7-44.7-47.5000112.8
89L92.7Very high90.1Very high134 Ų134104.8 Ų104.870%0.70258%0.576SS**THydrogen-bonded Turntrans-12027.2-178.2-62.6175.3000111.7S87 F91S87-L89 PolarHBondContact O-N 2.88Å; S87-L89 VanDerWaalsContact O-N 3.16Å; S87-L89 PolarHBondContact OG-N 3.31Å; L89-F91 HydrophobicContact CB-CD2 3.86Å; L89-F91 HydrophobicContact CB-CE2 4.14Å; L89-F91 WeakPolarHBondContact O-CD2 3.36Å; L89-F91 PolarHBondContact O-N 3.16Å
90D88.6Confident90.9Very high165 Ų165105.5 Ų105.588%0.88257%0.566SS**SBendtrans55.315.7-179.5-67.1-33.2000116.3
91F93.6Very high91.4Very high141 Ų141109.8 Ų109.862%0.61859%0.585SS**PPolyproline II helixtrans-69.1145.9169.2-75.9-91.1000111.1L89 T93L89-F91 HydrophobicContact CB-CD2 3.86Å; L89-F91 HydrophobicContact CB-CE2 4.14Å; L89-F91 WeakPolarHBondContact O-CD2 3.36Å; L89-F91 PolarHBondContact O-N 3.16Å; F91-T93 PolarHBondContact O-N 3.02Å
92P93.4Very high91.8Very high105 Ų105106.8 Ų106.868%0.68258%0.584SS**PPolyproline II helixtrans-58.9136.2178.925.1-34.7000111.3Q94P92-Q94 PolarHBondContact O-N 2.93Å
93T93.8Very high92.1Very high79 Ų79106.5 Ų106.549%0.48560%0.601SS.*PPolyproline II helixtrans-60.2122.8177.4-65.40000109.9V85 T86 F91V85-T93 WeakPolarHBondContact O-CA 3.16Å; T86-T93 HydrophobicContact CG2-CG2 4.07Å; F91-T93 PolarHBondContact O-N 3.02Å
94Q92.3Very high92.3Very high135 Ų135110.6 Ų110.663%0.63162%0.624SS**EExtended strand (participates in β ladder)trans-88.1134.8-179.3-67.8177.872.100109.7S84 V85 P92S84-Q94 CarbonylContact C-O 3.27Å; S84-Q94 VanDerWaalsContact CA-O 3.29Å; S84-Q94 WeakPolarHBondContact CA-O 3.19Å; V85-Q94 PolarHBondContact N-O 2.93Å; V85-Q94 PolarHBondContact O-N 2.93Å; P92-Q94 PolarHBondContact O-N 2.93Å
95V89Confident92.4Very high81 Ų81111.5 Ų111.549%0.49164%0.636SS.*EExtended strand (participates in β ladder)trans-124.5128.4178-175.40000109.4E82 C83E82-V95 HydrophobicContact CB-CG1 3.93Å; E82-V95 HydrophobicContact CG-CG1 4.46Å; C83-V95 WeakPolarHBondContact O-CA 3.29Å
96I88.6Confident92.4Very high92 Ų92113.3 Ų113.347%0.47265%0.653SS.*EExtended strand (participates in β ladder)trans-134.1151-179.159.7172.4000111.5E82 C83 L98E82-I96 CarbonylContact C-O 3.47Å; E82-I96 WeakPolarHBondContact CA-O 3.5Å; C83-I96 HydrophobicContact CB-CG1 4.27Å; C83-I96 PolarHBondContact N-O 2.83Å; C83-I96 PolarHBondContact O-N 2.82Å; I96-L98 PolarHBondContact O-N 3.36Å
97P87.7Confident92.4Very high54 Ų54113.9 Ų113.935%0.35166%0.656SS.*EExtended strand (participates in β ladder)trans-66.5127.3174.427.2-34.2000111K99P97-K99 PolarHBondContact O-N 3.04Å
98L89.5Confident92.5Very high88 Ų88113.4 Ų113.446%0.46165%0.651SS.*  trans-81.5104.5-179.1-178.562.7000110.2R81 C83 I96 T100R81-L98 HydrophobicContact CB-CB 4.43Å; R81-L98 WeakPolarHBondContact O-CB 3.41Å; R81-L98 PolarHBondContact O-N 3.01Å; C83-L98 HydrophobicContact CB-CB 4.29Å; C83-L98 HydrophobicContact CB-CD1 4.27Å; I96-L98 PolarHBondContact O-N 3.36Å; L98-T100 PolarHBondContact O-N 3.02Å
99K87.4Confident92.4Very high156 Ų156112.5 Ų112.568%0.67865%0.645SS**  trans-72.399.2177.1175.549.7-175.5138.10111.2P97 L101P97-K99 PolarHBondContact O-N 3.04Å; K99-L101 PolarHBondContact O-N 2.79Å
100T90.3Very high92.5Very high94 Ų94110 Ų11058%0.57763%0.631SS**PPolyproline II helixtrans-54.3125.7169.5-47.30000111.2L98L98-T100 PolarHBondContact O-N 3.02Å
101L94.1Very high92.7Very high152 Ų152110 Ų11080%0.79662%0.62SS**PPolyproline II helixtrans-73.5137.9166.4-61.2178.9000109.2K99K99-L101 PolarHBondContact O-N 2.79Å
102N94.6Very high92.9Very high133 Ų133109.2 Ų109.271%0.71163%0.632SS**PPolyproline II helixtrans-69150.1-179.2-61.5-2000110.2V104N102-V104 PolarHBondContact O-N 3.38Å
103A95.4Very high93Very high109 Ų109107 Ų10790%0.90161%0.61SS**PPolyproline II helixtrans-60.6135.9-179.700000112
104V96.7Very high93.2Very high135 Ų135106.2 Ų106.282%0.81861%0.608SS**  trans-123.2132.5173.8179.60000107.2N102 S106N102-V104 PolarHBondContact O-N 3.38Å; V104-S106 PolarHBondContact O-N 3.02Å
105A95.1Very high93.5Very high99 Ų99104.6 Ų104.682%0.81861%0.609SS**  trans-67.2127.5177.700000110.5
106S95.1Very high93.9Very high116 Ų116101.8 Ų101.881%0.81159%0.591SS**  trans-75.1156.7168.448.80000110.8V104V104-S106 PolarHBondContact O-N 3.02Å
107V95.4Very high94.2Very high113 Ų113103.1 Ų103.169%0.68560%0.595SS**  trans-104.4151.4167.1-64.20000109.5W629V107-W629 HydrophobicContact CB-CH2 4.47Å; V107-W629 HydrophobicContact CB-CZ2 4.08Å
108P95Very high94.6Very high36 Ų36105 Ų10523%0.23460%0.599CS.*  trans-62.1151.9177.1-17.328.3000112.3M110 P623 G628 W629P108-M110 PolarHBondContact O-N 2.99Å; P108-P623 HydrophobicContact CG-CB 4.11Å; P108-P623 HydrophobicContact CG-CG 4.27Å; P108-G628 WeakPolarHBondContact CG-O 3.45Å; P108-W629 HydrophobicContact CB-CD2 4.48Å; P108-W629 HydrophobicContact CB-CG 4.37Å; P108-W629 HydrophobicContact CG-CD2 4.43Å; P108-W629 HydrophobicContact CG-CZ2 4.46Å; P108-W629 PolarHBondContact O-NE1 3.14Å
109I93.1Very high94.9Very high146 Ų146101.3 Ų101.375%0.74958%0.58SS**  trans-60.6137-176-60.4174.5000110.6Y111 W629I109-Y111 HydrophobicContact CG2-CE2 4.25Å; I109-W629 PolarHBondContact O-NE1 2.95Å
110M93.9Very high95.3Very high81 Ų8196.4 Ų96.440%0.39956%0.559SS.*  trans-147.1122.5173.5-165.8-170.8-52.500110.4P108 L621 W629 F691P108-M110 PolarHBondContact O-N 2.99Å; M110-L621 HydrophobicContact CE-CD2 4.05Å; M110-W629 HydrophobicContact CE-CD2 3.73Å; M110-W629 VanDerWaalsContact CE-CE2 3.41Å; M110-W629 HydrophobicContact CE-CE3 4.37Å; M110-W629 HydrophobicContact CE-CG 4.02Å; M110-W629 HydrophobicContact CE-CH2 4.49Å; M110-W629 HydrophobicContact CE-CZ2 3.84Å; M110-F691 HydrophobicContact CE-CZ 4.43Å; M110-F691 HydrophobicContact SD-CZ 4.16Å
111Y93.3Very high95.4Very high164 Ų16492.8 Ų92.864%0.64354%0.536SS*.  trans-79.6151.2168-64.4-84.3000110.6I109I109-Y111 HydrophobicContact CG2-CE2 4.25Å
112S96.3Very high95.3Very high125 Ų12586.6 Ų86.687%0.87450%0.504SS*.  trans-64.6138.9178.2-170.30000111.7
113W97.1Very high95Very high58 Ų5884.1 Ų84.122%0.2249%0.488CS..  trans-145149-178.861.7-81.6000111.6P115 R684 G686 R690 F691W113-P115 HydrophobicContact CZ3-CB 4.21Å; W113-R684 VanDerWaalsContact CA-O 3.3Å; W113-R684 WeakPolarHBondContact CA-O 3.47Å; W113-G686 WeakPolarHBondContact CZ3-O 3.41Å; W113-R690 VanDerWaalsContact CB-NH1 3.26Å; W113-F691 AromaticContact CE2-CE2 3.98Å; W113-F691 HydrophobicContact CH2-CE2 4.43Å; W113-F691 AromaticContact CZ2-CE2 3.69Å; W113-F691 HydrophobicContact CZ2-CE2 3.69Å; W113-F691 HydrophobicContact CZ2-CZ 4.17Å; W113-F691 AromaticContact NE1-CZ 3.68Å
114S98.2Very high94.6Very high63 Ų6381 Ų8144%0.44146%0.457SS..EExtended strand (participates in β ladder)trans-92.7135.7-179.6-600000112.8R684 K685 G686S114-R684 PolarHBondContact N-O 3.2Å; S114-K685 CarbonylContact O-C 3.52Å; S114-K685 VanDerWaalsContact O-CA 3.31Å; S114-K685 WeakPolarHBondContact O-CA 3.39Å; S114-G686 PolarHBondContact O-N 3.4Å
115P97.9Very high93.9Very high102 Ų10276.5 Ų76.566%0.66243%0.427SS*.EExtended strand (participates in β ladder)trans-79130.5-178.530.8-34.8000113.5W113 G686W113-P115 HydrophobicContact CZ3-CB 4.21Å; P115-G686 CarbonylContact C-O 3.52Å; P115-G686 WeakPolarHBondContact CA-O 3.46Å
116L96.8Very high93.1Very high21 Ų2176.1 Ų76.111%0.1141%0.414CS..  trans-113.1154.1178.5-67.5-179000112.3F120 C647 G648 K685 G686 N687L116-F120 HydrophobicContact CD1-CB 4.26Å; L116-F120 HydrophobicContact CD2-CB 4.24Å; L116-C647 HydrophobicContact CB-CB 4.14Å; L116-G648 WeakPolarHBondContact CD1-O 3.37Å; L116-K685 HydrophobicContact CD1-CB 3.7Å; L116-K685 HydrophobicContact CD2-CB 4.36Å; L116-K685 HydrophobicContact CG-CB 3.93Å; L116-G686 PolarHBondContact N-O 3.22Å; L116-N687 WeakPolarHBondContact O-CB 3.36Å
117Q95.6Very high92.4Very high120 Ų12071.5 Ų71.556%0.56138%0.381SS*.SBendtrans-119.9-10169.5-57.8-58.2-57.100112.9
118Q95Very high91.6Very high94 Ų9466.7 Ų66.744%0.43935%0.351SS..SBendtrans-151157178.2-60.2-176.3-20.300106
119N97Very high90.9Very high10 Ų1070 Ų705%0.05336%0.363CS..  trans-65.4158.1177.4-72.2-3.2000112.7L296 C647 G648 I650 V680N119-L296 HydrophobicContact CB-CD1 4.14Å; N119-C647 WeakPolarHBondContact OD1-CA 3.41Å; N119-G648 VanDerWaalsContact CA-O 3.31Å; N119-G648 WeakPolarHBondContact CA-O 3.49Å; N119-G648 PolarHBondContact OD1-N 2.82Å; N119-G648 VanDerWaalsContact OD1-N 3.1Å; N119-I650 HydrophobicContact CB-CD1 3.48Å; N119-I650 VanDerWaalsContact CB-CD1 3.48Å; N119-I650 HydrophobicContact CB-CG1 3.81Å; N119-V680 WeakPolarHBondContact ND2-CG2 3.38Å
120F95.6Very high90.4Very high53 Ų5368.8 Ų68.823%0.23236%0.358CS..EExtended strand (participates in β ladder)trans-128.5110.3-176.3-172-77000110.1L116 V122 F295 G648 E649 I650 K685L116-F120 HydrophobicContact CD1-CB 4.26Å; L116-F120 HydrophobicContact CD2-CB 4.24Å; F120-V122 HydrophobicContact CD1-CG2 3.74Å; F120-V122 HydrophobicContact CE1-CG2 4.07Å; F120-F295 CarbonylContact C-O 3.59Å; F120-F295 WeakPolarHBondContact CA-O 3.36Å; F120-F295 HydrophobicContact CD2-CB 3.72Å; F120-F295 HydrophobicContact CD2-CD1 4.49Å; F120-F295 HydrophobicContact CD2-CD2 4.47Å; F120-F295 HydrophobicContact CD2-CG 4.01Å; F120-F295 HydrophobicContact CE2-CB 3.65Å; F120-F295 AromaticContact CE2-CD1 3.58Å; F120-F295 HydrophobicContact CE2-CD1 3.58Å; F120-F295 HydrophobicContact CE2-CD2 4.03Å; F120-F295 HydrophobicContact CE2-CE1 4.2Å; F120-F295 AromaticContact CE2-CG 3.48Å; F120-F295 HydrophobicContact CE2-CG 3.48Å; F120-F295 VanDerWaalsContact CE2-CG 3.48Å; F120-F295 HydrophobicContact CG-CB 4.34Å; F120-F295 HydrophobicContact CZ-CB 4.22Å; F120-F295 AromaticContact CZ-CD1 3.73Å; F120-F295 HydrophobicContact CZ-CD1 3.73Å; F120-F295 HydrophobicContact CZ-CE1 4.33Å; F120-F295 HydrophobicContact CZ-CG 4.08Å; F120-G648 PolarHBondContact N-O 3.12Å; F120-G648 VanDerWaalsContact N-O 3.12Å; F120-E649 CarbonylContact O-C 3.52Å; F120-E649 WeakPolarHBondContact O-CA 3.46Å; F120-I650 PolarHBondContact O-N 2.98Å; F120-K685 HydrophobicContact CG-CD 4.47Å
121M93.2Very high89.7Confident19 Ų1968.4 Ų68.49%0.09436%0.357CS..EExtended strand (participates in β ladder)trans-63.3134.5175.7-17168.573.300110.8F295 I650 F678M121-F295 PolarHBondContact N-O 3.26Å; M121-I650 HydrophobicContact CE-CB 4.39Å; M121-I650 HydrophobicContact CE-CG2 3.77Å; M121-I650 HydrophobicContact SD-CB 4.05Å; M121-I650 HydrophobicContact SD-CG2 3.57Å; M121-I650 VanDerWaalsContact SD-CG2 3.57Å; M121-F678 HydrophobicContact CE-CD1 4.42Å; M121-F678 HydrophobicContact CE-CE1 3.9Å; M121-F678 HydrophobicContact CE-CZ 4.12Å; M121-F678 HydrophobicContact SD-CD1 4.26Å; M121-F678 HydrophobicContact SD-CE1 3.78Å
122V92.1Very high89.1Confident22 Ų2261.3 Ų61.313%0.13333%0.331CS..  trans-126.4142.3175.6-1800000108.7F120 E649 I650 I651F120-V122 HydrophobicContact CD1-CG2 3.74Å; F120-V122 HydrophobicContact CE1-CG2 4.07Å; V122-E649 HydrophobicContact CG2-CB 3.91Å; V122-E649 HydrophobicContact CG2-CG 4.04Å; V122-I650 PolarHBondContact N-O 2.81Å; V122-I651 HydrophobicContact CB-CG2 4.16Å
123E87.4Confident88.4Confident81 Ų8162.5 Ų62.538%0.37932%0.318SS..  trans-88146.9175.8-70169.9157.400110.2E125 R298E123-E125 PolarHBondContact O-N 3.3Å; E123-R298 VanDerWaalsContact CD-NE 3.34Å; E123-R298 IonicContact OE1-CZ 3.62Å; E123-R298 IonicContact OE1-NE 3.76Å; E123-R298 PolarHBondContact OE1-NE 3.12Å; E123-R298 IonicContact OE1-NH2 3.54Å; E123-R298 PolarHBondContact OE1-NH2 3.01Å; E123-R298 IonicContact OE2-CZ 3.62Å; E123-R298 IonicContact OE2-NE 3.16Å; E123-R298 PolarHBondContact OE2-NE 2.87Å; E123-R298 IonicContact OE2-NH2 2.75Å; E123-R298 PolarHBondContact OE2-NH2 2.88Å
124D87.1Confident87.1Confident44 Ų4461.4 Ų61.424%0.23532%0.315CS..  trans-60.1128.2-173.4-72.158.3000113.7T126 S652 E655 R658D124-T126 PolarHBondContact O-N 2.99Å; D124-T126 VanDerWaalsContact O-N 3.16Å; D124-S652 PolarHBondContact OD1-OG 2.87Å; D124-S652 WeakPolarHBondContact OD2-CB 3.38Å; D124-S652 PolarHBondContact OD2-OG 3.5Å; D124-E655 WeakPolarHBondContact CA-OE2 3.49Å; D124-R658 IonicContact OD2-NH2 3.35Å; D124-R658 PolarHBondContact OD2-NH2 3.33Å; D124-R658 VanDerWaalsContact OD2-NH2 3.11Å
125E82.8Confident85.8Confident40 Ų4059.3 Ų59.319%0.18730%0.304CS..  trans-78.795.2175.8-73.3-178.3-132.300110.9E123 V127 H129 Y153 E655 R658 R684E123-E125 PolarHBondContact O-N 3.3Å; E125-V127 PolarHBondContact O-N 3.5Å; E125-H129 IonicContact OE2-CE1 3.64Å; E125-H129 PolarHBondContact OE2-CE1 3.11Å; E125-H129 IonicContact OE2-ND1 3.88Å; E125-H129 PolarHBondContact OE2-ND1 3.2Å; E125-Y153 VanDerWaalsContact O-CD1 3.32Å; E125-Y153 WeakPolarHBondContact O-CD1 3.47Å; E125-Y153 WeakPolarHBondContact O-CE1 3.21Å; E125-E655 PolarHBondContact N-OE2 2.86Å; E125-R658 PolarHBondContact O-NH1 2.99Å; E125-R684 IonicContact OE1-CZ 3.99Å; E125-R684 IonicContact OE1-NH1 3.33Å; E125-R684 PolarHBondContact OE1-NH1 3.25Å; E125-R684 IonicContact OE1-NH2 2.65Å; E125-R684 PolarHBondContact OE1-NH2 3.12Å; E125-R684 IonicContact OE2-NH2 2.81Å
126T78.4Confident84.6Confident90 Ų9059.2 Ų59.255%0.55230%0.298SS*.  trans-75-2.8-17857.50000115.1D124 K156D124-T126 PolarHBondContact O-N 2.99Å; D124-T126 VanDerWaalsContact O-N 3.16Å; T126-K156 WeakPolarHBondContact O-CD 3.26Å
127V78.5Confident83.3Confident19 Ų1965.8 Ų65.812%0.11533%0.328CS..SBendtrans-136.8134.6-179.3-179.40000109.1E125 H129 K156 H158E125-V127 PolarHBondContact O-N 3.5Å; V127-H129 PolarHBondContact O-CE1 3.03Å; V127-H129 PolarHBondContact O-N 2.75Å; V127-H129 VanDerWaalsContact O-N 3.17Å; V127-H129 PolarHBondContact O-ND1 3.44Å; V127-K156 HydrophobicContact CB-CB 4.4Å; V127-K156 HydrophobicContact CG1-CB 4.21Å; V127-K156 HydrophobicContact CG2-CB 4.09Å; V127-K156 HydrophobicContact CG2-CD 4.37Å; V127-H158 HydrophobicContact CG1-CB 4.24Å
128L79Confident82Confident12 Ų1262.3 Ų62.36%0.06332%0.315CS..BIsolated β-bridgetrans-76.4104.1176.6-176.762.7000110.2N130 I131 L149 Y153 K156 V157 H158L128-N130 VanDerWaalsContact C-N 3.32Å; L128-N130 WeakPolarHBondContact CD1-O 3.5Å; L128-N130 PolarHBondContact O-N 2.79Å; L128-I131 HydrophobicContact CD2-CG1 4.24Å; L128-L149 HydrophobicContact CD2-CD2 4.25Å; L128-L149 HydrophobicContact CD2-CG 4.14Å; L128-Y153 HydrophobicContact CB-CD1 4.09Å; L128-Y153 HydrophobicContact CB-CD2 4.08Å; L128-Y153 HydrophobicContact CB-CE1 4.37Å; L128-Y153 HydrophobicContact CB-CE2 4.4Å; L128-Y153 HydrophobicContact CB-CG 3.93Å; L128-Y153 HydrophobicContact CD1-CD2 4.46Å; L128-Y153 HydrophobicContact CD1-CE1 4.42Å; L128-Y153 HydrophobicContact CD1-CE2 3.97Å; L128-K156 PolarHBondContact N-O 2.95Å; L128-V157 HydrophobicContact CB-CG2 4.48Å; L128-V157 HydrophobicContact CD2-CG2 4.45Å; L128-H158 PolarHBondContact O-N 2.6Å
129H79.9Confident80.4Confident106 Ų10660.7 Ų60.749%0.49131%0.309SS..  trans-69.1-24.5-176.5-62.9108.9000114.9E125 V127E125-H129 IonicContact OE2-CE1 3.64Å; E125-H129 PolarHBondContact OE2-CE1 3.11Å; E125-H129 IonicContact OE2-ND1 3.88Å; E125-H129 PolarHBondContact OE2-ND1 3.2Å; V127-H129 PolarHBondContact O-CE1 3.03Å; V127-H129 PolarHBondContact O-N 2.75Å; V127-H129 VanDerWaalsContact O-N 3.17Å; V127-H129 PolarHBondContact O-ND1 3.44Å
130N82.4Confident78.8Confident120 Ų12067.2 Ų67.264%0.64234%0.344SS*.  trans-155.9134.4-178.2-179.659.4000110.5L128L128-N130 VanDerWaalsContact C-N 3.32Å; L128-N130 WeakPolarHBondContact CD1-O 3.5Å; L128-N130 PolarHBondContact O-N 2.79Å
131I80.9Confident77.4Confident74 Ų7472.5 Ų72.538%0.37937%0.369SS..PPolyproline II helixtrans-79.8126.8170.6-60.4178.3000108.2L128 Y133 I146 V157L128-I131 HydrophobicContact CD2-CG1 4.24Å; I131-Y133 PolarHBondContact O-N 3.38Å; I131-I146 HydrophobicContact CG2-CD1 4.11Å; I131-V157 HydrophobicContact CD1-CG1 4.2Å; I131-V157 HydrophobicContact CG1-CG1 4.08Å
132P80Confident76.1Confident15 Ų1574.7 Ų74.710%0.09738%0.381CS..PPolyproline II helixtrans-64.9120.6177.4-19.531.9000111.4L149 V662 Y666P132-L149 HydrophobicContact CG-CD2 4.15Å; P132-V662 HydrophobicContact CB-CG1 4.48Å; P132-V662 HydrophobicContact CG-CG1 3.9Å; P132-V662 HydrophobicContact CG-CG2 4.34Å; P132-Y666 HydrophobicContact CB-CE2 4.16Å; P132-Y666 WeakPolarHBondContact CB-OH 3.5Å
133Y80.4Confident75Confident150 Ų15075.8 Ų75.859%0.58840%0.397SS*.PPolyproline II helixtrans-77.7134.3169.6-176.9-103.5000110I131 D136 L139 Y666I131-Y133 PolarHBondContact O-N 3.38Å; Y133-D136 WeakPolarHBondContact CE2-OD1 3.45Å; Y133-D136 PolarHBondContact OH-N 3.06Å; Y133-D136 PolarHBondContact OH-OD1 2.85Å; Y133-D136 VanDerWaalsContact OH-OD1 3.1Å; Y133-L139 HydrophobicContact CD2-CD1 4.42Å; Y133-L139 HydrophobicContact CE2-CD1 4.29Å; Y133-Y666 PolarHBondContact O-OH 3.42Å
134M71.1Confident74.7Confident34 Ų3476.6 Ų76.617%0.16741%0.407CS..  trans-129.66.1-171.7-62.1175.1-6200113.3V138 L139 F145 I146 K665M134-V138 HydrophobicContact CB-CB 4.29Å; M134-V138 HydrophobicContact CB-CG1 4.21Å; M134-V138 WeakPolarHBondContact O-CG2 3.25Å; M134-L139 HydrophobicContact CE-CD2 3.87Å; M134-F145 HydrophobicContact CE-CD1 3.8Å; M134-F145 HydrophobicContact CE-CE1 3.8Å; M134-F145 HydrophobicContact SD-CD1 4.23Å; M134-F145 HydrophobicContact SD-CE1 3.78Å; M134-I146 HydrophobicContact CE-CD1 3.8Å; M134-K665 HydrophobicContact SD-CD 4.34Å; M134-K665 HydrophobicContact SD-CG 3.46Å; M134-K665 WeakPolarHBondContact SD-CG 3.31Å
135G70.9Confident74.4Confident19 Ų1975.7 Ų75.720%0.19640%0.401CS..  trans89.8136.4-168.800000111.9E137 V138 L139G135-E137 PolarHBondContact O-N 3.26Å; G135-V138 PolarHBondContact O-N 3.21Å; G135-L139 PolarHBondContact O-N 3.33Å
136D73.5Confident74.3Confident100 Ų10075.3 Ų75.354%0.53540%0.4SS..Hα-helixtrans-56.1-40.3179.6-57.2-24.8000111.5Y133 V138 L139 D140Y133-D136 WeakPolarHBondContact CE2-OD1 3.45Å; Y133-D136 PolarHBondContact OH-N 3.06Å; Y133-D136 PolarHBondContact OH-OD1 2.85Å; Y133-D136 VanDerWaalsContact OH-OD1 3.1Å; D136-V138 PolarHBondContact O-N 3.4Å; D136-L139 PolarHBondContact O-N 3.41Å; D136-D140 PolarHBondContact O-N 2.79Å
137E69.4Low74.6Confident159 Ų15977.7 Ų77.774%0.74341%0.405SS*.Hα-helixtrans-53.9-26175.4-58.4176.8168.300114.4G135 Q141G135-E137 PolarHBondContact O-N 3.26Å; E137-Q141 WeakPolarHBondContact O-CG 3.37Å; E137-Q141 PolarHBondContact O-NE2 2.94Å
138V66.9Low74.8Confident48 Ų4881.5 Ų81.529%0.29142%0.422SS..Hα-helixtrans-95.3-31.4179-178.40000111.3M134 G135 D136 Q141 D142M134-V138 HydrophobicContact CB-CB 4.29Å; M134-V138 HydrophobicContact CB-CG1 4.21Å; M134-V138 WeakPolarHBondContact O-CG2 3.25Å; G135-V138 PolarHBondContact O-N 3.21Å; D136-V138 PolarHBondContact O-N 3.4Å; V138-Q141 PolarHBondContact O-N 2.77Å; V138-D142 PolarHBondContact O-N 2.95Å
139L62.1Low75Confident59 Ų5981 Ų8131%0.30942%0.419SS..Hα-helixtrans-67.6-37.7176.8-67.5170.6000111.4Y133 M134 G135 D136 Q141 I146Y133-L139 HydrophobicContact CD2-CD1 4.42Å; Y133-L139 HydrophobicContact CE2-CD1 4.29Å; M134-L139 HydrophobicContact CE-CD2 3.87Å; G135-L139 PolarHBondContact O-N 3.33Å; D136-L139 PolarHBondContact O-N 3.41Å; L139-Q141 PolarHBondContact O-N 3.41Å; L139-I146 HydrophobicContact CD2-CD1 4.1Å; L139-I146 HydrophobicContact CD2-CG1 4.09Å
140D62.4Low75.2Confident147 Ų14778.2 Ų78.279%0.78641%0.408SS*.THydrogen-bonded Turntrans-67.1-19.9176.7-75.3-17.4000113.9D136D136-D140 PolarHBondContact O-N 2.79Å
141Q66.3Low75.4Confident164 Ų16480 Ų8077%0.76641%0.41SS*.THydrogen-bonded Turntrans-98.5-29.8-176.4-66.4-179.142.400113.9E137 V138 L139E137-Q141 WeakPolarHBondContact O-CG 3.37Å; E137-Q141 PolarHBondContact O-NE2 2.94Å; V138-Q141 PolarHBondContact O-N 2.77Å; L139-Q141 PolarHBondContact O-N 3.41Å
142D67.2Low75.5Confident66 Ų6678.7 Ų78.735%0.35340%0.403SS..  trans-136.734.9-159.9-140.913.7000112.5V138 T144 F145 K665V138-D142 PolarHBondContact O-N 2.95Å; D142-T144 PolarHBondContact O-N 3.44Å; D142-F145 VanDerWaalsContact O-CB 3.3Å; D142-F145 WeakPolarHBondContact O-CB 3.48Å; D142-F145 PolarHBondContact O-N 3.34Å; D142-K665 IonicContact OD2-NZ 3.54Å; D142-K665 PolarHBondContact OD2-NZ 3.12Å
143G69.1Low75.7Confident45 Ų4578.7 Ų78.746%0.46440%0.401SS..Hα-helixtrans-56.9-23.8-175.300000115.3F145 I146 E147G143-F145 VanDerWaalsContact C-N 3.25Å; G143-F145 PolarHBondContact O-N 3.39Å; G143-I146 PolarHBondContact O-N 2.9Å; G143-I146 VanDerWaalsContact O-N 3.17Å; G143-E147 PolarHBondContact O-N 2.78Å
144T79.6Confident75.7Confident97 Ų9777.7 Ų77.760%0.59541%0.406SS*.Hα-helixtrans-58.7-33.2171.444.50000112.9D142 I146 E147 E148D142-T144 PolarHBondContact O-N 3.44Å; T144-I146 VanDerWaalsContact C-N 3.32Å; T144-I146 PolarHBondContact O-N 3.42Å; T144-E147 PolarHBondContact O-N 3.41Å; T144-E148 WeakPolarHBondContact O-CB 3.48Å; T144-E148 PolarHBondContact O-N 3.28Å
145F80.9Confident76.1Confident25 Ų2577.7 Ų77.711%0.1142%0.415CS..Hα-helixtrans-62.4-38.4176168.5-95.1000112M134 D142 G143 E148 L149 K661 K665M134-F145 HydrophobicContact CE-CD1 3.8Å; M134-F145 HydrophobicContact CE-CE1 3.8Å; M134-F145 HydrophobicContact SD-CD1 4.23Å; M134-F145 HydrophobicContact SD-CE1 3.78Å; D142-F145 VanDerWaalsContact O-CB 3.3Å; D142-F145 WeakPolarHBondContact O-CB 3.48Å; D142-F145 PolarHBondContact O-N 3.34Å; G143-F145 VanDerWaalsContact C-N 3.25Å; G143-F145 PolarHBondContact O-N 3.39Å; F145-E148 PolarHBondContact O-N 3.26Å; F145-L149 HydrophobicContact CE1-CD2 4.11Å; F145-L149 HydrophobicContact CZ-CD2 4.25Å; F145-L149 WeakPolarHBondContact O-CB 3.48Å; F145-L149 PolarHBondContact O-N 2.83Å; F145-K661 HydrophobicContact CE2-CB 4.44Å; F145-K661 WeakPolarHBondContact CE2-O 3.31Å; F145-K665 HydrophobicContact CD2-CB 4.49Å; F145-K665 HydrophobicContact CE1-CB 4.47Å; F145-K665 HydrophobicContact CE1-CG 4.15Å; F145-K665 HydrophobicContact CE2-CB 3.8Å; F145-K665 HydrophobicContact CE2-CG 4.16Å; F145-K665 HydrophobicContact CZ-CB 3.78Å; F145-K665 HydrophobicContact CZ-CG 3.96Å
146I81.9Confident76.4Confident32 Ų3280 Ų8016%0.16442%0.42CS..Hα-helixtrans-69.1-42178.7-60.6-64.3000110.4I131 M134 L139 G143 T144 L149 I150I131-I146 HydrophobicContact CG2-CD1 4.11Å; M134-I146 HydrophobicContact CE-CD1 3.8Å; L139-I146 HydrophobicContact CD2-CD1 4.1Å; L139-I146 HydrophobicContact CD2-CG1 4.09Å; G143-I146 PolarHBondContact O-N 2.9Å; G143-I146 VanDerWaalsContact O-N 3.17Å; T144-I146 VanDerWaalsContact C-N 3.32Å; T144-I146 PolarHBondContact O-N 3.42Å; I146-L149 PolarHBondContact O-N 3.17Å; I146-I150 HydrophobicContact CG2-CD1 3.79Å; I146-I150 HydrophobicContact CG2-CG1 4.48Å; I146-I150 WeakPolarHBondContact O-CB 3.09Å; I146-I150 VanDerWaalsContact O-CG1 3.25Å; I146-I150 WeakPolarHBondContact O-CG1 3.47Å; I146-I150 PolarHBondContact O-N 2.9Å
147E83.3Confident76.8Confident140 Ų14076.4 Ų76.465%0.65440%0.401SS*.Hα-helixtrans-61.1-45.8174.1-169.7-173.3163.100111.5G143 T144 I150 K151G143-E147 PolarHBondContact O-N 2.78Å; T144-E147 PolarHBondContact O-N 3.41Å; E147-I150 PolarHBondContact O-N 3.27Å; E147-K151 VanDerWaalsContact O-CB 3.26Å; E147-K151 WeakPolarHBondContact O-CB 3.49Å; E147-K151 PolarHBondContact O-N 2.88Å
148E83.1Confident77Confident99 Ų9973.4 Ų73.446%0.46339%0.387SS..Hα-helixtrans-66.9-38.7179.1-162.2-173.2160.600112.5T144 F145 K151 N152 K661T144-E148 WeakPolarHBondContact O-CB 3.48Å; T144-E148 PolarHBondContact O-N 3.28Å; F145-E148 PolarHBondContact O-N 3.26Å; E148-K151 PolarHBondContact O-N 2.92Å; E148-N152 PolarHBondContact O-N 2.73Å; E148-K661 WeakPolarHBondContact OE1-CE 3.44Å; E148-K661 IonicContact OE1-NZ 2.97Å; E148-K661 PolarHBondContact OE1-NZ 2.87Å
149L83.7Confident77.1Confident2 Ų273.4 Ų73.41%0.0140%0.397CS..Hα-helixtrans-63.4-43.9174.4179.562000111.3L128 P132 F145 I146 N152 Y153 V662L128-L149 HydrophobicContact CD2-CD2 4.25Å; L128-L149 HydrophobicContact CD2-CG 4.14Å; P132-L149 HydrophobicContact CG-CD2 4.15Å; F145-L149 HydrophobicContact CE1-CD2 4.11Å; F145-L149 HydrophobicContact CZ-CD2 4.25Å; F145-L149 WeakPolarHBondContact O-CB 3.48Å; F145-L149 PolarHBondContact O-N 2.83Å; I146-L149 PolarHBondContact O-N 3.17Å; L149-N152 WeakPolarHBondContact O-CB 3.38Å; L149-N152 PolarHBondContact O-N 2.66Å; L149-Y153 HydrophobicContact CD1-CE2 4.09Å; L149-Y153 WeakPolarHBondContact O-CD2 3.03Å; L149-V662 HydrophobicContact CD1-CG2 3.62Å; L149-V662 HydrophobicContact CD2-CG2 4.19Å
150I83.8Confident77.3Confident48 Ų4876.2 Ų76.225%0.24641%0.412CS..Hα-helixtrans-66.6-42.4177.7-72.4171.5000110.9I146 E147 N152 Y153 G155 V157I146-I150 HydrophobicContact CG2-CD1 3.79Å; I146-I150 HydrophobicContact CG2-CG1 4.48Å; I146-I150 WeakPolarHBondContact O-CB 3.09Å; I146-I150 VanDerWaalsContact O-CG1 3.25Å; I146-I150 WeakPolarHBondContact O-CG1 3.47Å; I146-I150 PolarHBondContact O-N 2.9Å; E147-I150 PolarHBondContact O-N 3.27Å; I150-N152 PolarHBondContact O-N 2.83Å; I150-Y153 PolarHBondContact O-N 3.3Å; I150-G155 WeakPolarHBondContact O-CA 3.38Å; I150-G155 PolarHBondContact O-N 2.89Å; I150-V157 HydrophobicContact CD1-CG2 4.26Å; I150-V157 HydrophobicContact CG1-CG2 3.88Å; I150-V157 HydrophobicContact CG2-CG2 4.24Å
151K86.3Confident77.4Confident158 Ų15872 Ų7269%0.68739%0.385SS*.Hα-helixtrans-59.2-33.5175.3-177.5178.1-180178.70112.8E147 E148 Y153 D154E147-K151 VanDerWaalsContact O-CB 3.26Å; E147-K151 WeakPolarHBondContact O-CB 3.49Å; E147-K151 PolarHBondContact O-N 2.88Å; E148-K151 PolarHBondContact O-N 2.92Å; K151-Y153 PolarHBondContact O-N 3.18Å; K151-D154 PolarHBondContact O-N 2.79Å
152N83.7Confident77.2Confident45 Ų4571.1 Ų71.124%0.24138%0.381CS..THydrogen-bonded Turntrans-63.5-18.8175.6-107.844.4000114E148 L149 I150 R658 K661E148-N152 PolarHBondContact O-N 2.73Å; L149-N152 WeakPolarHBondContact O-CB 3.38Å; L149-N152 PolarHBondContact O-N 2.66Å; I150-N152 PolarHBondContact O-N 2.83Å; N152-R658 HydrophobicContact CB-CG 4.26Å; N152-R658 VanDerWaalsContact O-CD 3.22Å; N152-R658 WeakPolarHBondContact O-CD 3.31Å; N152-K661 PolarHBondContact OD1-NZ 3.01Å
153Y83.4Confident76.8Confident16 Ų1668.4 Ų68.46%0.06337%0.367CS..THydrogen-bonded Turntrans-111.732176.4-66.5-104.7000111.4E125 L128 L149 I150 K151 G155 K156 R658E125-Y153 VanDerWaalsContact O-CD1 3.32Å; E125-Y153 WeakPolarHBondContact O-CD1 3.47Å; E125-Y153 WeakPolarHBondContact O-CE1 3.21Å; L128-Y153 HydrophobicContact CB-CD1 4.09Å; L128-Y153 HydrophobicContact CB-CD2 4.08Å; L128-Y153 HydrophobicContact CB-CE1 4.37Å; L128-Y153 HydrophobicContact CB-CE2 4.4Å; L128-Y153 HydrophobicContact CB-CG 3.93Å; L128-Y153 HydrophobicContact CD1-CD2 4.46Å; L128-Y153 HydrophobicContact CD1-CE1 4.42Å; L128-Y153 HydrophobicContact CD1-CE2 3.97Å; L149-Y153 HydrophobicContact CD1-CE2 4.09Å; L149-Y153 WeakPolarHBondContact O-CD2 3.03Å; I150-Y153 PolarHBondContact O-N 3.3Å; K151-Y153 PolarHBondContact O-N 3.18Å; Y153-G155 PolarHBondContact O-N 3.03Å; Y153-G155 VanDerWaalsContact O-N 3.08Å; Y153-K156 VanDerWaalsContact O-CB 3.23Å; Y153-K156 WeakPolarHBondContact O-CB 3.48Å; Y153-K156 WeakPolarHBondContact O-CD 3.47Å; Y153-K156 WeakPolarHBondContact O-CG 3.29Å; Y153-K156 PolarHBondContact O-N 2.88Å; Y153-R658 HydrophobicContact CE2-CB 4.25Å; Y153-R658 HydrophobicContact CE2-CG 4.38Å
154D81.9Confident76.7Confident128 Ų12867.9 Ų67.968%0.68436%0.362SS*.THydrogen-bonded Turntrans54.322.9-174.1-52.9-42.3000114.8K151 K156K151-D154 PolarHBondContact O-N 2.79Å; D154-K156 VanDerWaalsContact C-N 3.33Å; D154-K156 HydrophobicContact CB-CD 4.14Å; D154-K156 HydrophobicContact CB-CG 4.39Å; D154-K156 IonicContact OD2-NZ 2.96Å; D154-K156 PolarHBondContact OD2-NZ 3.45Å
155G78.9Confident76.2Confident34 Ų3470.3 Ų70.335%0.35137%0.365SS..THydrogen-bonded Turntrans81.43-171.800000115.2I150 Y153 V157I150-G155 WeakPolarHBondContact O-CA 3.38Å; I150-G155 PolarHBondContact O-N 2.89Å; Y153-G155 PolarHBondContact O-N 3.03Å; Y153-G155 VanDerWaalsContact O-N 3.08Å; G155-V157 PolarHBondContact O-N 3Å
156K77.4Confident76.2Confident69 Ų6969.5 Ų69.530%0.336%0.361SS..  trans-84100-175.6-57.3158.1-175.71560111T126 V127 L128 Y153 D154T126-K156 WeakPolarHBondContact O-CD 3.26Å; V127-K156 HydrophobicContact CB-CB 4.4Å; V127-K156 HydrophobicContact CG1-CB 4.21Å; V127-K156 HydrophobicContact CG2-CB 4.09Å; V127-K156 HydrophobicContact CG2-CD 4.37Å; L128-K156 PolarHBondContact N-O 2.95Å; Y153-K156 VanDerWaalsContact O-CB 3.23Å; Y153-K156 WeakPolarHBondContact O-CB 3.48Å; Y153-K156 WeakPolarHBondContact O-CD 3.47Å; Y153-K156 WeakPolarHBondContact O-CG 3.29Å; Y153-K156 PolarHBondContact O-N 2.88Å; D154-K156 VanDerWaalsContact C-N 3.33Å; D154-K156 HydrophobicContact CB-CD 4.14Å; D154-K156 HydrophobicContact CB-CG 4.39Å; D154-K156 IonicContact OD2-NZ 2.96Å; D154-K156 PolarHBondContact OD2-NZ 3.45Å
157V80.8Confident76.3Confident23 Ų2370 Ų7014%0.13936%0.364CS..BIsolated β-bridgetrans-107.7133.5169.8-174.40000109.8L128 I131 I150 G155 G159 D160L128-V157 HydrophobicContact CB-CG2 4.48Å; L128-V157 HydrophobicContact CD2-CG2 4.45Å; I131-V157 HydrophobicContact CD1-CG1 4.2Å; I131-V157 HydrophobicContact CG1-CG1 4.08Å; I150-V157 HydrophobicContact CD1-CG2 4.26Å; I150-V157 HydrophobicContact CG1-CG2 3.88Å; I150-V157 HydrophobicContact CG2-CG2 4.24Å; G155-V157 PolarHBondContact O-N 3Å; V157-G159 PolarHBondContact O-N 3.05Å; V157-D160 HydrophobicContact CB-CB 4.29Å; V157-D160 PolarHBondContact O-N 3.35Å
158H75.2Confident76.5Confident96 Ų9667 Ų6744%0.44435%0.353SS..THydrogen-bonded Turntrans-64.6110.7178.6171.5-88.6000111.2V127 L128 D233V127-H158 HydrophobicContact CG1-CB 4.24Å; L128-H158 PolarHBondContact O-N 2.6Å; H158-D233 IonicContact CD2-OD2 3.74Å; H158-D233 PolarHBondContact CD2-OD2 2.86Å; H158-D233 IonicContact NE2-OD2 2.72Å
159G67.3Low76.6Confident49 Ų4966 Ų6651%0.50535%0.348SS..THydrogen-bonded Turntrans108.8-11.3177.900000114.7V157 R161V157-G159 PolarHBondContact O-N 3.05Å; G159-R161 PolarHBondContact O-N 3.3Å
160D66.5Low76.8Confident118 Ų11866.6 Ų66.663%0.63135%0.351SS*.  trans-73.5113.1170.4-174.420.3000110.1V157V157-D160 HydrophobicContact CB-CB 4.29Å; V157-D160 PolarHBondContact O-N 3.35Å
161R65.6Low77.1Confident58 Ų5864.8 Ų64.822%0.21934%0.341CS..  trans-160144.2-171.8-58.6-175.6-171.9143.813.5113.3G159 C163 G164 D233G159-R161 PolarHBondContact O-N 3.3Å; R161-C163 WeakPolarHBondContact CB-O 3.26Å; R161-C163 WeakPolarHBondContact CD-O 3.23Å; R161-C163 PolarHBondContact O-N 3.05Å; R161-G164 PolarHBondContact NH1-O 3.1Å; R161-D233 IonicContact CZ-OD1 3.19Å; R161-D233 VanDerWaalsContact CZ-OD1 3.3Å; R161-D233 IonicContact CZ-OD2 3.15Å; R161-D233 IonicContact NE-OD1 2.78Å; R161-D233 PolarHBondContact NE-OD1 3.38Å; R161-D233 IonicContact NE-OD2 3.15Å; R161-D233 VanDerWaalsContact NH2-CG 3.27Å; R161-D233 IonicContact NH2-OD1 2.72Å; R161-D233 PolarHBondContact NH2-OD1 3.06Å; R161-D233 VanDerWaalsContact NH2-OD1 3.11Å; R161-D233 IonicContact NH2-OD2 3.38Å; R161-D233 PolarHBondContact NH2-OD2 3.27Å
162E61.3Low77.3Confident145 Ų14558.6 Ų58.668%0.67832%0.317SS*.SBendtrans-69.3-16.5160.4-72.6-167.9-16100114.1K20 M230K20-E162 IonicContact NZ-OE2 2.66Å; K20-E162 PolarHBondContact NZ-OE2 3.08Å; E162-M230 HydrophobicContact CB-CE 4.45Å
163C59.2Low77.5Confident10 Ų1060.1 Ų60.17%0.06832%0.323CS..SBendtrans-128.1139.1-172-74.70000111.6Y23 R161 M230 F231Y23-C163 HydrophobicContact CD1-CB 4.31Å; Y23-C163 HydrophobicContact CE1-CB 3.99Å; R161-C163 WeakPolarHBondContact CB-O 3.26Å; R161-C163 WeakPolarHBondContact CD-O 3.23Å; R161-C163 PolarHBondContact O-N 3.05Å; C163-M230 VanDerWaalsContact SG-CE 3.51Å; C163-F231 HydrophobicContact CB-CE1 3.81Å; C163-F231 HydrophobicContact CB-CZ 3.95Å
164G66.2Low77.8Confident34 Ų3459.4 Ų59.435%0.35132%0.32SS..  trans-69.9-159.5-171.500000115.8Y23 R161 I166Y23-G164 PolarHBondContact OH-O 3.12Å; R161-G164 PolarHBondContact NH1-O 3.1Å; G164-I166 PolarHBondContact O-N 3.39Å; G164-I166 VanDerWaalsContact O-N 3.14Å
165F70.3Confident78.2Confident148 Ų14853.3 Ų53.365%0.64929%0.287SS*.  trans-62.8108.9-178.5-177.7-101000114.5Y23 N167Y23-F165 VanDerWaalsContact OH-C 3.3Å; Y23-F165 PolarHBondContact OH-N 3.16Å; Y23-F165 PolarHBondContact OH-O 2.9Å; Y23-F165 VanDerWaalsContact OH-O 3.11Å; F165-N167 HydrophobicContact CE1-CB 3.74Å; F165-N167 HydrophobicContact CZ-CB 4.08Å
166I80.1Confident78.7Confident8 Ų853.7 Ų53.74%0.04128%0.281CS..  trans-92.6137164-169.5164.9000110Y23 G164 I170 F171 L174 F231 K234Y23-I166 HydrophobicContact CE2-CB 4.3Å; G164-I166 PolarHBondContact O-N 3.39Å; G164-I166 VanDerWaalsContact O-N 3.14Å; I166-I170 HydrophobicContact CG1-CB 4.41Å; I166-I170 HydrophobicContact CG1-CG2 4.19Å; I166-F171 HydrophobicContact CD1-CB 4.08Å; I166-F171 HydrophobicContact CD1-CD2 4.36Å; I166-F171 HydrophobicContact CG1-CB 4.19Å; I166-L174 HydrophobicContact CD1-CD2 3.91Å; I166-F231 HydrophobicContact CB-CD1 4.2Å; I166-F231 HydrophobicContact CB-CE1 3.82Å; I166-F231 HydrophobicContact CB-CZ 4.12Å; I166-F231 HydrophobicContact CD1-CD2 4.26Å; I166-F231 HydrophobicContact CD1-CE1 4.43Å; I166-F231 HydrophobicContact CD1-CE2 3.89Å; I166-F231 HydrophobicContact CD1-CZ 3.98Å; I166-F231 HydrophobicContact CG2-CD1 3.53Å; I166-F231 HydrophobicContact CG2-CE1 3.69Å; I166-F231 HydrophobicContact CG2-CG 4.05Å; I166-F231 HydrophobicContact CG2-CZ 4.32Å; I166-K234 HydrophobicContact CG2-CD 4.33Å; I166-K234 HydrophobicContact CG2-CG 4.1Å
167N84.6Confident79.2Confident42 Ų4250.8 Ų50.823%0.22527%0.27CS..  trans-123.2172.7171.672.3-12.1000110.3F165 E169 I170 F171F165-N167 HydrophobicContact CE1-CB 3.74Å; F165-N167 HydrophobicContact CZ-CB 4.08Å; N167-E169 VanDerWaalsContact C-N 3.32Å; N167-E169 PolarHBondContact O-N 3.03Å; N167-I170 PolarHBondContact O-N 2.97Å; N167-I170 VanDerWaalsContact O-N 3.07Å; N167-I170 VanDerWaalsContact OD1-CB 3.31Å; N167-I170 WeakPolarHBondContact OD1-CB 3.47Å; N167-I170 WeakPolarHBondContact OD1-CD1 3.1Å; N167-I170 WeakPolarHBondContact OD1-CG1 3.23Å; N167-I170 PolarHBondContact OD1-N 3.49Å; N167-F171 WeakPolarHBondContact O-CB 3.47Å; N167-F171 PolarHBondContact O-N 3.09Å
168D87.6Confident79.4Confident77 Ų7749.7 Ų49.741%0.41226%0.264SS..Hα-helixtrans-63.7-35-170.1-59.8-16.9000113.1F171 V172 K243 L247D168-F171 PolarHBondContact O-N 2.83Å; D168-V172 WeakPolarHBondContact O-CG2 3.35Å; D168-V172 PolarHBondContact O-N 3.23Å; D168-K243 VanDerWaalsContact OD1-CE 3.23Å; D168-K243 WeakPolarHBondContact OD1-CE 3.49Å; D168-K243 IonicContact OD1-NZ 2.69Å; D168-K243 PolarHBondContact OD1-NZ 3.21Å; D168-K243 IonicContact OD2-NZ 3.26Å; D168-L247 HydrophobicContact CB-CD1 3.83Å; D168-L247 HydrophobicContact CB-CD2 4.26Å
169E85.4Confident79.8Confident78 Ų7845.8 Ų45.836%0.36425%0.249SC..Hα-helixtrans-59.2-51.9170-63.4179.2-16800112.5K30 R34 N167 F171 V172 E173K30-E169 IonicContact NZ-OE2 3.63Å; K30-E169 PolarHBondContact NZ-OE2 3.46Å; R34-E169 IonicContact CZ-OE1 2.73Å; R34-E169 IonicContact CZ-OE2 2.62Å; R34-E169 IonicContact NH1-OE1 2.67Å; R34-E169 PolarHBondContact NH1-OE1 3.1Å; R34-E169 IonicContact NH1-OE2 3.63Å; R34-E169 PolarHBondContact NH1-OE2 2.84Å; R34-E169 IonicContact NH2-OE1 2.71Å; R34-E169 PolarHBondContact NH2-OE1 3.41Å; R34-E169 IonicContact NH2-OE2 2.9Å; R34-E169 PolarHBondContact NH2-OE2 2.86Å; N167-E169 VanDerWaalsContact C-N 3.32Å; N167-E169 PolarHBondContact O-N 3.03Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 3.11Å; E169-V172 PolarHBondContact O-N 3.3Å; E169-E173 PolarHBondContact O-N 3.04Å
170I87.9Confident80.2Confident15 Ų1547.9 Ų47.98%0.07725%0.246CC..Hα-helixtrans-68.7-33.1-177.4-68.3168.2000109.9Y23 K30 I166 N167 L174Y23-I170 HydrophobicContact CD2-CG2 3.8Å; Y23-I170 HydrophobicContact CE2-CG2 3.9Å; K30-I170 HydrophobicContact CD-CD1 4.18Å; K30-I170 HydrophobicContact CD-CG1 3.66Å; I166-I170 HydrophobicContact CG1-CB 4.41Å; I166-I170 HydrophobicContact CG1-CG2 4.19Å; N167-I170 PolarHBondContact O-N 2.97Å; N167-I170 VanDerWaalsContact O-N 3.07Å; N167-I170 VanDerWaalsContact OD1-CB 3.31Å; N167-I170 WeakPolarHBondContact OD1-CB 3.47Å; N167-I170 WeakPolarHBondContact OD1-CD1 3.1Å; N167-I170 WeakPolarHBondContact OD1-CG1 3.23Å; N167-I170 PolarHBondContact OD1-N 3.49Å; I170-L174 WeakPolarHBondContact O-CB 3.38Å; I170-L174 PolarHBondContact O-N 3.07Å
171F89.7Confident80.2Confident9 Ų947.4 Ų47.44%0.03924%0.236CC..Hα-helixtrans-62.9-50.2174.8172.7-114000111.9I166 N167 D168 E169 E173 L174 V175 F224 I227 L240 K243 Y244 L247I166-F171 HydrophobicContact CD1-CB 4.08Å; I166-F171 HydrophobicContact CD1-CD2 4.36Å; I166-F171 HydrophobicContact CG1-CB 4.19Å; N167-F171 WeakPolarHBondContact O-CB 3.47Å; N167-F171 PolarHBondContact O-N 3.09Å; D168-F171 PolarHBondContact O-N 2.83Å; E169-F171 VanDerWaalsContact C-N 3.28Å; E169-F171 PolarHBondContact O-N 3.11Å; F171-E173 PolarHBondContact O-N 3.32Å; F171-L174 PolarHBondContact O-N 3.42Å; F171-V175 HydrophobicContact CD2-CG2 4.12Å; F171-V175 HydrophobicContact CE2-CG2 3.71Å; F171-V175 HydrophobicContact CZ-CG2 4.03Å; F171-V175 WeakPolarHBondContact O-CG2 3.24Å; F171-V175 PolarHBondContact O-N 3.1Å; F171-F224 HydrophobicContact CZ-CE1 4.39Å; F171-I227 HydrophobicContact CD2-CG2 4.41Å; F171-I227 HydrophobicContact CE2-CD1 4.41Å; F171-I227 HydrophobicContact CE2-CG2 4.21Å; F171-L240 HydrophobicContact CE2-CB 4.34Å; F171-L240 HydrophobicContact CE2-CD2 3.87Å; F171-L240 HydrophobicContact CZ-CB 4.07Å; F171-L240 HydrophobicContact CZ-CD2 3.99Å; F171-L240 WeakPolarHBondContact CZ-O 3.5Å; F171-K243 HydrophobicContact CE1-CG 4.32Å; F171-Y244 HydrophobicContact CE1-CD2 4.45Å; F171-L247 HydrophobicContact CD1-CD1 4.01Å; F171-L247 HydrophobicContact CE1-CD1 4.41Å
172V89.7Confident80.1Confident29 Ų2946.9 Ų46.918%0.17624%0.238CC..Hα-helixtrans-62.4-42.6176.5172.70000111.3D168 E169 N176 Y244 L247 T248D168-V172 WeakPolarHBondContact O-CG2 3.35Å; D168-V172 PolarHBondContact O-N 3.23Å; E169-V172 PolarHBondContact O-N 3.3Å; V172-N176 WeakPolarHBondContact CG1-ND2 3.5Å; V172-N176 VanDerWaalsContact O-CB 3.32Å; V172-N176 WeakPolarHBondContact O-CB 3.33Å; V172-N176 PolarHBondContact O-N 2.98Å; V172-N176 PolarHBondContact O-ND2 3.32Å; V172-Y244 HydrophobicContact CG1-CE2 4.41Å; V172-L247 HydrophobicContact CG2-CB 3.6Å; V172-L247 HydrophobicContact CG2-CD1 3.95Å; V172-L247 HydrophobicContact CG2-CG 4.42Å; V172-T248 HydrophobicContact CG1-CG2 3.79Å; V172-T248 HydrophobicContact CG2-CG2 4.36Å
173E88.2Confident79.7Confident77 Ų7742.6 Ų42.636%0.3622%0.219SC..Hα-helixtrans-65.7-37176.1-76175.6-146.600112.8L26 K30 E169 F171 N176 A177L26-E173 HydrophobicContact CD1-CB 4.2Å; L26-E173 HydrophobicContact CD2-CB 4.47Å; K30-E173 WeakPolarHBondContact CE-OE1 3.42Å; K30-E173 WeakPolarHBondContact CE-OE2 3.21Å; K30-E173 IonicContact NZ-OE1 3.51Å; K30-E173 PolarHBondContact NZ-OE1 2.84Å; K30-E173 IonicContact NZ-OE2 3.67Å; E169-E173 PolarHBondContact O-N 3.04Å; F171-E173 PolarHBondContact O-N 3.32Å; E173-N176 PolarHBondContact O-N 3.44Å; E173-A177 WeakPolarHBondContact O-CB 3.38Å; E173-A177 PolarHBondContact O-N 3.47Å
174L90.3Very high79.3Confident0 Ų047.4 Ų47.40%024%0.244CC..Hα-helixtrans-67.8-47.1178.3178.561.3000111.8V19 E22 L26 I166 I170 F171 N176 A177 L178 I227 F231V19-L174 HydrophobicContact CG1-CD2 4.3Å; E22-L174 HydrophobicContact CB-CD1 3.9Å; L26-L174 HydrophobicContact CD1-CB 4.13Å; L26-L174 HydrophobicContact CD1-CD1 4.32Å; I166-L174 HydrophobicContact CD1-CD2 3.91Å; I170-L174 WeakPolarHBondContact O-CB 3.38Å; I170-L174 PolarHBondContact O-N 3.07Å; F171-L174 PolarHBondContact O-N 3.42Å; L174-N176 VanDerWaalsContact C-N 3.32Å; L174-N176 PolarHBondContact O-N 3.17Å; L174-A177 PolarHBondContact O-N 3.23Å; L174-L178 HydrophobicContact CD1-CD1 3.78Å; L174-L178 HydrophobicContact CD1-CG 4.21Å; L174-L178 HydrophobicContact CG-CD1 3.86Å; L174-L178 WeakPolarHBondContact O-CB 3.44Å; L174-L178 WeakPolarHBondContact O-CD1 3.27Å; L174-L178 VanDerWaalsContact O-CG 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.43Å; L174-L178 PolarHBondContact O-N 3.1Å; L174-I227 HydrophobicContact CG-CD1 4.49Å; L174-F231 HydrophobicContact CD2-CE2 4.38Å
175V90.3Very high78.5Confident0 Ų049 Ų490%024%0.244CC..Hα-helixtrans-62.1-42.1174.4176.30000110.4F171 A177 L178 G179 P219 F224 I227 Y244F171-V175 HydrophobicContact CD2-CG2 4.12Å; F171-V175 HydrophobicContact CE2-CG2 3.71Å; F171-V175 HydrophobicContact CZ-CG2 4.03Å; F171-V175 WeakPolarHBondContact O-CG2 3.24Å; F171-V175 PolarHBondContact O-N 3.1Å; V175-A177 PolarHBondContact O-N 2.84Å; V175-L178 PolarHBondContact O-N 2.85Å; V175-G179 PolarHBondContact O-N 3.36Å; V175-P219 HydrophobicContact CG1-CB 3.85Å; V175-P219 HydrophobicContact CG1-CG 3.63Å; V175-F224 HydrophobicContact CG1-CE1 4.1Å; V175-F224 HydrophobicContact CG1-CZ 3.95Å; V175-F224 HydrophobicContact CG2-CE1 4.05Å; V175-I227 HydrophobicContact CG2-CD1 3.53Å; V175-Y244 HydrophobicContact CB-CD2 3.7Å; V175-Y244 HydrophobicContact CB-CE2 3.54Å; V175-Y244 HydrophobicContact CG1-CD1 4.33Å; V175-Y244 HydrophobicContact CG1-CD2 3.6Å; V175-Y244 HydrophobicContact CG1-CE1 4.13Å; V175-Y244 HydrophobicContact CG1-CE2 3.35Å; V175-Y244 HydrophobicContact CG1-CG 4.08Å; V175-Y244 HydrophobicContact CG2-CD2 3.97Å; V175-Y244 HydrophobicContact CG2-CE2 4.32Å
176N88.5Confident77.3Confident42 Ų4246.1 Ų46.123%0.22524%0.236CC..Hα-helixtrans-63.5-39176-87.8-74.7000113V172 E173 L174 Q180 R216 Y244V172-N176 WeakPolarHBondContact CG1-ND2 3.5Å; V172-N176 VanDerWaalsContact O-CB 3.32Å; V172-N176 WeakPolarHBondContact O-CB 3.33Å; V172-N176 PolarHBondContact O-N 2.98Å; V172-N176 PolarHBondContact O-ND2 3.32Å; E173-N176 PolarHBondContact O-N 3.44Å; L174-N176 VanDerWaalsContact C-N 3.32Å; L174-N176 PolarHBondContact O-N 3.17Å; N176-Q180 PolarHBondContact O-N 3.16Å; N176-Q180 PolarHBondContact O-NE2 3.42Å; N176-R216 PolarHBondContact OD1-NH1 2.86Å; N176-Y244 PolarHBondContact ND2-OH 3.39Å
177A87.8Confident75.4Confident8 Ų853 Ų537%0.06627%0.273CS..Hα-helixtrans-68.4-43.9177.100000111.9L26 E173 L174 V175 G179 Q180 Y181L26-A177 HydrophobicContact CD1-CB 4.16Å; E173-A177 WeakPolarHBondContact O-CB 3.38Å; E173-A177 PolarHBondContact O-N 3.47Å; L174-A177 PolarHBondContact O-N 3.23Å; V175-A177 PolarHBondContact O-N 2.84Å; A177-G179 VanDerWaalsContact C-N 3.29Å; A177-G179 PolarHBondContact O-N 3.44Å; A177-Q180 PolarHBondContact O-N 3.4Å; A177-Y181 PolarHBondContact O-N 2.8Å
178L86.3Confident73.4Confident1 Ų157 Ų571%0.00530%0.295CS..Hα-helixtrans-68.1-28.8177-67.4164.7000112.7R18 V19 E22 L174 V175 I223 I227R18-L178 HydrophobicContact CB-CD2 4.32Å; V19-L178 HydrophobicContact CB-CD1 4.43Å; V19-L178 HydrophobicContact CG2-CD1 3.73Å; V19-L178 HydrophobicContact CG2-CD2 4.33Å; E22-L178 HydrophobicContact CB-CD2 4.47Å; E22-L178 HydrophobicContact CG-CD2 4.38Å; L174-L178 HydrophobicContact CD1-CD1 3.78Å; L174-L178 HydrophobicContact CD1-CG 4.21Å; L174-L178 HydrophobicContact CG-CD1 3.86Å; L174-L178 WeakPolarHBondContact O-CB 3.44Å; L174-L178 WeakPolarHBondContact O-CD1 3.27Å; L174-L178 VanDerWaalsContact O-CG 3.27Å; L174-L178 WeakPolarHBondContact O-CG 3.43Å; L174-L178 PolarHBondContact O-N 3.1Å; V175-L178 PolarHBondContact O-N 2.85Å; L178-I223 HydrophobicContact CB-CD1 4.26Å; L178-I223 HydrophobicContact CB-CG2 3.84Å; L178-I223 HydrophobicContact CD1-CG2 3.93Å; L178-I227 HydrophobicContact CD1-CD1 4.05Å; L178-I227 HydrophobicContact CD1-CG1 4.21Å
179G82.9Confident71.1Confident14 Ų1460.7 Ų60.714%0.14431%0.314CS..Hα-helixtrans-67.3-40.6172.500000113.4V175 A177 Y181 N182 D183V175-G179 PolarHBondContact O-N 3.36Å; A177-G179 VanDerWaalsContact C-N 3.29Å; A177-G179 PolarHBondContact O-N 3.44Å; G179-Y181 PolarHBondContact O-N 3.45Å; G179-N182 WeakPolarHBondContact O-CB 3.5Å; G179-N182 PolarHBondContact O-N 3.28Å; G179-D183 PolarHBondContact O-N 3.23Å
180Q75.9Confident69.3Low92 Ų9260.6 Ų60.643%0.4333%0.334SS..Hα-helixtrans-59.4-46.6176.4-79.8156.295.700111.1N176 A177 N182 D183 D184N176-Q180 PolarHBondContact O-N 3.16Å; N176-Q180 PolarHBondContact O-NE2 3.42Å; A177-Q180 PolarHBondContact O-N 3.4Å; Q180-N182 PolarHBondContact O-N 3.34Å; Q180-D183 PolarHBondContact O-N 3.11Å; Q180-D184 PolarHBondContact O-N 3.18Å; Q180-D184 VanDerWaalsContact O-N 3.12Å
181Y67.4Low66.7Low108 Ų10866.2 Ų66.242%0.42436%0.364SS..Hα-helixtrans-61.3-8.4172.6-84.2-65.9000115.7E22 A177 G179 D185E22-Y181 HydrophobicContact CG-CE2 4.18Å; A177-Y181 PolarHBondContact O-N 2.8Å; G179-Y181 PolarHBondContact O-N 3.45Å; Y181-D185 WeakPolarHBondContact O-CB 3.32Å
182N62.5Low64.6Low48 Ų4871.9 Ų71.926%0.25740%0.395SS..Hα-helixtrans-99.4-17.6174.8-160.8116.5000112.1G179 Q180G179-N182 WeakPolarHBondContact O-CB 3.5Å; G179-N182 PolarHBondContact O-N 3.28Å; Q180-N182 PolarHBondContact O-N 3.34Å
183D54.1Low62.4Low55 Ų5575.2 Ų75.229%0.29442%0.417SS..Hα-helixtrans-83.5-42.7167.6-75.3-48.3000109.9G179 Q180 D185 D186 K217G179-D183 PolarHBondContact O-N 3.23Å; Q180-D183 PolarHBondContact O-N 3.11Å; D183-D185 PolarHBondContact O-N 2.79Å; D183-D186 PolarHBondContact O-N 2.95Å; D183-K217 WeakPolarHBondContact OD1-CD 3.41Å; D183-K217 VanDerWaalsContact OD1-CE 3.31Å; D183-K217 WeakPolarHBondContact OD1-CE 3.38Å; D183-K217 IonicContact OD1-NZ 2.98Å; D183-K217 PolarHBondContact OD1-NZ 3.06Å
184D50.1Low60.2Low110 Ų11080.3 Ų80.359%0.58844%0.441SS*.THydrogen-bonded Turntrans-62.1-23.9178.3-59.2-36000114.1Q180Q180-D184 PolarHBondContact O-N 3.18Å; Q180-D184 VanDerWaalsContact O-N 3.12Å
185D48.7Very low57.9Low67 Ų6785.8 Ų85.836%0.35847%0.466SS..THydrogen-bonded Turntrans-86.30.5-177.3-97.8-24.1000113.1K10 R18 Y181 D183K10-D185 IonicContact NZ-OD1 3.67Å; K10-D185 PolarHBondContact NZ-OD1 2.95Å; K10-D185 IonicContact NZ-OD2 3.76Å; K10-D185 PolarHBondContact NZ-OD2 3.42Å; R18-D185 IonicContact CZ-OD2 2.64Å; R18-D185 IonicContact NH1-OD2 3.87Å; R18-D185 PolarHBondContact NH1-OD2 3.37Å; R18-D185 IonicContact NH2-OD1 3.46Å; R18-D185 IonicContact NH2-OD2 3.09Å; R18-D185 PolarHBondContact NH2-OD2 2.87Å; Y181-D185 WeakPolarHBondContact O-CB 3.32Å; D183-D185 PolarHBondContact O-N 2.79Å
186D44.9Very low55.6Low89 Ų8993.9 Ų93.948%0.47650%0.497SS..SBendtrans-110.4-11.1-176.8-112.5-19.8000114.6K7 D183K7-D186 IonicContact NZ-OD1 3.5Å; K7-D186 PolarHBondContact NZ-OD1 3.02Å; K7-D186 VanDerWaalsContact NZ-OD1 3.09Å; D183-D186 PolarHBondContact O-N 2.95Å
187D41Very low53.3Low152 Ų15299.8 Ų99.881%0.81352%0.523SS*.SBendtrans-103.8-10.3-177.7-77.7-37.4000114.8D189D187-D189 PolarHBondContact O-N 2.74Å; D187-D189 VanDerWaalsContact O-N 3.14Å
188D41.8Very low50.8Low127 Ų127107.3 Ų107.368%0.67956%0.557SS**  trans-88.761.3-175.3-165.352.5000112.8R196D188-R196 IonicContact OD1-NH2 2.59Å
189D39.2Very low48.6Very low154 Ų154112.7 Ų112.782%0.82458%0.58SS**SBendtrans-122.950.6-178.8-126.3-19.1000112.6D187D187-D189 PolarHBondContact O-N 2.74Å; D187-D189 VanDerWaalsContact O-N 3.14Å
190G47.6Very low46.6Very low75 Ų75119.2 Ų119.277%0.77361%0.607SS**  trans121.485.7151.800000118.8
191D34.9Very low44.7Very low134 Ų134122.9 Ų122.972%0.71762%0.622SS**  trans-136.3148.3158.5-110.1-18.8000110
192D44.1Very low43Very low127 Ų127124.3 Ų124.368%0.67964%0.636SS**  trans-80.3145.7-169.5-140.3-1.9000112.3E194 E195D192-E194 VanDerWaalsContact C-N 3.27Å; D192-E194 PolarHBondContact O-N 3.49Å; D192-E194 VanDerWaalsContact O-N 3.13Å; D192-E195 PolarHBondContact O-N 3.1Å
193P44.3Very low41.9Very low100 Ų100129.1 Ų129.165%0.64966%0.661SS**G310 helixtrans-63-22.7-171.3-2737000116.5
194E41.9Very low41.1Very low183 Ų183133.8 Ų133.886%0.85568%0.681SS**G310 helixtrans-76.7-18.9-174.1-63.7-16714700113.8D192 R196D192-E194 VanDerWaalsContact C-N 3.27Å; D192-E194 PolarHBondContact O-N 3.49Å; D192-E194 VanDerWaalsContact O-N 3.13Å; E194-R196 VanDerWaalsContact C-N 3.32Å; E194-R196 PolarHBondContact O-N 3.26Å
195E41.3Very low40.4Very low115 Ų115135.7 Ų135.754%0.53769%0.692SS.*G310 helixtrans-80.2-6.5175.9-95.5-158.5-158.300114.4D192 E197 K199D192-E195 PolarHBondContact O-N 3.1Å; E195-E197 PolarHBondContact O-N 2.87Å; E195-K199 WeakPolarHBondContact OE2-CE 3.43Å; E195-K199 IonicContact OE2-NZ 2.73Å; E195-K199 PolarHBondContact OE2-NZ 2.81Å
196R42.8Very low39.7Very low171 Ų171141.2 Ų141.265%0.64572%0.715SS**G310 helixtrans-73.9-21-174.4-81.1-172.3173.2174.41.9115D188 E194D188-R196 IonicContact OD1-NH2 2.59Å; E194-R196 VanDerWaalsContact C-N 3.32Å; E194-R196 PolarHBondContact O-N 3.26Å
197E39.6Very low39.5Very low165 Ų165147.1 Ų147.177%0.77173%0.73SS**THydrogen-bonded Turntrans-83.8-24.9-175.1-65.4-157.2151.700114.9E195E195-E197 PolarHBondContact O-N 2.87Å
198E36.6Very low39.4Very low167 Ų167147.3 Ų147.378%0.7873%0.732SS**THydrogen-bonded Turntrans-82.1-45.6177.1-65.4-157.8132.500112Q200 K201E198-Q200 PolarHBondContact O-N 2.55Å; E198-K201 PolarHBondContact O-N 3.23Å; E198-K201 VanDerWaalsContact O-N 3.08Å
199K38.8Very low38.9Very low113 Ų113149.2 Ų149.249%0.49174%0.742SS.*THydrogen-bonded Turntrans-59.3-14.9178.3-75165.4174.2162.30114.1E195E195-K199 WeakPolarHBondContact OE2-CE 3.43Å; E195-K199 IonicContact OE2-NZ 2.73Å; E195-K199 PolarHBondContact OE2-NZ 2.81Å
200Q41.3Very low39Very low152 Ų152151 Ų15171%0.7174%0.742SS**THydrogen-bonded Turntrans-83-12178.4-162.8163.928.700114.2E198E198-Q200 PolarHBondContact O-N 2.55Å
201K35.6Very low38.4Very low169 Ų169156.3 Ų156.374%0.73575%0.747SS**THydrogen-bonded Turntrans-88.5-36.2178.7-76.8175-178.7159.50114.3E198 L203E198-K201 PolarHBondContact O-N 3.23Å; E198-K201 VanDerWaalsContact O-N 3.08Å; K201-L203 PolarHBondContact O-N 3.03Å
202D32.5Very low38.5Very low137 Ų137155.2 Ų155.273%0.73375%0.75SS**THydrogen-bonded Turntrans-75.6-7.9-175.8-67.9-11.1000113.7
203L39.1Very low38Very low149 Ų149160.3 Ų160.378%0.7876%0.76SS**THydrogen-bonded Turntrans-90.3-4.1-177.1-79.7169000115.2K201K201-L203 PolarHBondContact O-N 3.03Å
204E38Very low37.5Very low153 Ų153160.8 Ų160.872%0.71576%0.763SS**SBendtrans-84.3-22.6177.6-66.5-147.1112.900114.2
205D33.8Very low37.7Very low150 Ų150158.1 Ų158.180%0.80276%0.761SS**SBendtrans-100.8-2.3-164.2-145.524.9000115.6
206H33.8Very low38.4Very low183 Ų183159.9 Ų159.985%0.84776%0.763SS**  trans-109.964.2173.9-87.7-61.7000113.4
207R41.6Very low39.4Very low213 Ų213158.5 Ų158.580%0.80476%0.762SS**  trans-92.782.7163.6-65.5-173.4-170.6178.65.9111.5
208D39.8Very low41.1Very low157 Ų157155.6 Ų155.684%0.8475%0.747SS**  trans173.3105136.7-95.6-26.7000109.4
209D30.1Very low43.3Very low167 Ų167148.3 Ų148.389%0.89371%0.714SS**  trans-156.2153.6136.4-129.7-32.1000112.2
210K41.5Very low45.3Very low191 Ų191145 Ų14583%0.8371%0.705SS**  trans-122.7102.4179.2-82.1178.5177.4167.20110.5
211E35.2Very low47.3Very low186 Ų186141.3 Ų141.387%0.86969%0.69SS**  trans-154.5161.9150.4-122.9158.7-149.800115.3
212S37.4Very low49.6Very low112 Ų112137.3 Ų137.378%0.78367%0.673SS**  trans13.1103.3173.457.80000119.3
213R32.6Very low52.1Low233 Ų233130.8 Ų130.888%0.87964%0.638SS**PPolyproline II helixtrans-82.9141150-66-174.1-177.2-165.5-0.3109.5
214P35.1Very low54.5Low110 Ų110123.8 Ų123.871%0.71460%0.601SS**PPolyproline II helixtrans-65.1156.7175.827.8-34.8000111.7R216P214-R216 PolarHBondContact O-N 3.23Å
215P45.8Very low56.9Low128 Ų128121.9 Ų121.983%0.83159%0.592SS**PPolyproline II helixtrans-62.3131.1173.127.2-33.9000110
216R55.8Low59.5Low152 Ų152115 Ų11557%0.57456%0.556SS**PPolyproline II helixtrans-59.2140.9179-61.7-177.4-179.1-148.8-8.6110.3N176 P214N176-R216 PolarHBondContact OD1-NH1 2.86Å; P214-R216 PolarHBondContact O-N 3.23Å
217K63.8Low62Low141 Ų141106.3 Ų106.361%0.61352%0.516SS*.PPolyproline II helixtrans-58.2148.8169.4-59.4173.5-164.7150.80109.2D183D183-K217 WeakPolarHBondContact OD1-CD 3.41Å; D183-K217 VanDerWaalsContact OD1-CE 3.31Å; D183-K217 WeakPolarHBondContact OD1-CE 3.38Å; D183-K217 IonicContact OD1-NZ 2.98Å; D183-K217 PolarHBondContact OD1-NZ 3.06Å
218F75.8Confident64.2Low105 Ų10597.3 Ų97.346%0.46149%0.485SS..PPolyproline II helixtrans-66138172.6-170-89.4000109.6F224 K241 Y244 K245F218-F224 AromaticContact CE1-CE2 3.95Å; F218-F224 HydrophobicContact CE1-CE2 3.95Å; F218-F224 HydrophobicContact CE1-CZ 4.35Å; F218-F224 HydrophobicContact CZ-CE2 4.43Å; F218-F224 HydrophobicContact CZ-CZ 4.4Å; F218-K241 HydrophobicContact CE1-CG 4.04Å; F218-K241 HydrophobicContact CZ-CG 4.15Å; F218-Y244 HydrophobicContact CE2-CD1 4.06Å; F218-Y244 HydrophobicContact CE2-CE1 4.22Å; F218-Y244 HydrophobicContact CZ-CD1 4.04Å; F218-K245 HydrophobicContact CE2-CG 3.89Å; F218-K245 HydrophobicContact CZ-CG 4.05Å
219P80.8Confident66.3Low14 Ų1492.6 Ų92.69%0.09147%0.465CS..PPolyproline II helixtrans-58.4143.6-176.1-25.534.6000113.8V175 I223 F224 Y244V175-P219 HydrophobicContact CG1-CB 3.85Å; V175-P219 HydrophobicContact CG1-CG 3.63Å; P219-I223 HydrophobicContact CB-CD1 4.22Å; P219-F224 HydrophobicContact CB-CE2 4.03Å; P219-F224 HydrophobicContact CB-CZ 4.19Å; P219-Y244 HydrophobicContact CG-CD1 4.45Å; P219-Y244 HydrophobicContact CG-CE1 3.66Å
220S81.1Confident68.8Low42 Ų4285.3 Ų85.329%0.29443%0.426SS..PPolyproline II helixtrans-63.4139.7-179.6-178.50000112.7K222 I223S220-K222 PolarHBondContact O-N 2.77Å; S220-K222 VanDerWaalsContact O-N 3.17Å; S220-I223 VanDerWaalsContact O-CB 3.22Å; S220-I223 WeakPolarHBondContact O-CB 3.38Å; S220-I223 WeakPolarHBondContact O-CG1 3.47Å; S220-I223 PolarHBondContact O-N 2.82Å
221D83.9Confident70.7Confident75 Ų7576.2 Ų76.240%0.40139%0.386SS..Hα-helixtrans-60.1-30.8-176.3-70.7-13.3000113.4I223 F224 E225 K241D221-I223 PolarHBondContact O-N 3.15Å; D221-I223 VanDerWaalsContact O-N 3.12Å; D221-F224 PolarHBondContact O-N 3.12Å; D221-E225 PolarHBondContact O-N 2.73Å; D221-E225 VanDerWaalsContact O-N 3.11Å; D221-K241 WeakPolarHBondContact OD1-CD 3.33Å; D221-K241 WeakPolarHBondContact OD1-CE 3.37Å; D221-K241 IonicContact OD1-NZ 2.74Å; D221-K241 PolarHBondContact OD1-NZ 2.97Å; D221-K241 IonicContact OD2-NZ 3.7Å; D221-K241 PolarHBondContact OD2-NZ 2.75Å
222K83.4Confident72.6Confident86 Ų8670.2 Ų70.237%0.37436%0.363SS..Hα-helixtrans-58.8-23.1172.9-62.3-179-179.3178.20113.4E9 S220 A226E9-K222 IonicContact OE1-NZ 2.76Å; E9-K222 PolarHBondContact OE1-NZ 2.79Å; S220-K222 PolarHBondContact O-N 2.77Å; S220-K222 VanDerWaalsContact O-N 3.17Å; K222-A226 VanDerWaalsContact O-CB 3.26Å; K222-A226 WeakPolarHBondContact O-CB 3.28Å; K222-A226 PolarHBondContact O-N 3.29Å; K222-A226 VanDerWaalsContact O-N 3.13Å
223I86.2Confident74.3Confident0 Ų065.9 Ų65.90%033%0.331CS..Hα-helixtrans-72.5-42.3174.3-60.7172.4000110W15 L178 P219 S220 D221 A226 I227W15-I223 HydrophobicContact CH2-CG1 4.49Å; W15-I223 HydrophobicContact CZ3-CG1 4.09Å; L178-I223 HydrophobicContact CB-CD1 4.26Å; L178-I223 HydrophobicContact CB-CG2 3.84Å; L178-I223 HydrophobicContact CD1-CG2 3.93Å; P219-I223 HydrophobicContact CB-CD1 4.22Å; S220-I223 VanDerWaalsContact O-CB 3.22Å; S220-I223 WeakPolarHBondContact O-CB 3.38Å; S220-I223 WeakPolarHBondContact O-CG1 3.47Å; S220-I223 PolarHBondContact O-N 2.82Å; D221-I223 PolarHBondContact O-N 3.15Å; D221-I223 VanDerWaalsContact O-N 3.12Å; I223-A226 PolarHBondContact O-N 3.46Å; I223-I227 HydrophobicContact CG2-CD1 3.84Å; I223-I227 HydrophobicContact CG2-CG1 4.48Å; I223-I227 VanDerWaalsContact O-CG1 3.28Å; I223-I227 WeakPolarHBondContact O-CG1 3.33Å; I223-I227 PolarHBondContact O-N 2.61Å
224F89.6Confident76.4Confident1 Ų157.8 Ų57.80%0.00430%0.302CS..Hα-helixtrans-70.4-38.8179.2-62.5-74000111.9F171 V175 F218 P219 D221 A226 I227 S228 A237 L240 K241 Y244F171-F224 HydrophobicContact CZ-CE1 4.39Å; V175-F224 HydrophobicContact CG1-CE1 4.1Å; V175-F224 HydrophobicContact CG1-CZ 3.95Å; V175-F224 HydrophobicContact CG2-CE1 4.05Å; F218-F224 AromaticContact CE1-CE2 3.95Å; F218-F224 HydrophobicContact CE1-CE2 3.95Å; F218-F224 HydrophobicContact CE1-CZ 4.35Å; F218-F224 HydrophobicContact CZ-CE2 4.43Å; F218-F224 HydrophobicContact CZ-CZ 4.4Å; P219-F224 HydrophobicContact CB-CE2 4.03Å; P219-F224 HydrophobicContact CB-CZ 4.19Å; D221-F224 PolarHBondContact O-N 3.12Å; F224-A226 VanDerWaalsContact C-N 3.35Å; F224-A226 PolarHBondContact O-N 2.71Å; F224-I227 PolarHBondContact O-N 2.65Å; F224-S228 WeakPolarHBondContact O-CB 3.32Å; F224-S228 PolarHBondContact O-N 2.74Å; F224-A237 HydrophobicContact CB-CB 4.08Å; F224-L240 HydrophobicContact CD1-CB 3.96Å; F224-K241 HydrophobicContact CD1-CB 4.13Å; F224-K241 HydrophobicContact CD2-CB 3.95Å; F224-K241 HydrophobicContact CD2-CD 4.36Å; F224-K241 HydrophobicContact CD2-CG 4.11Å; F224-K241 HydrophobicContact CE1-CB 4.36Å; F224-K241 HydrophobicContact CE2-CB 4.18Å; F224-K241 HydrophobicContact CE2-CG 4.03Å; F224-K241 HydrophobicContact CG-CB 3.93Å; F224-K241 HydrophobicContact CZ-CB 4.38Å; F224-K241 HydrophobicContact CZ-CG 4.44Å; F224-Y244 HydrophobicContact CE1-CD1 4.4Å; F224-Y244 HydrophobicContact CE1-CG 4Å; F224-Y244 AromaticContact CZ-CD1 3.88Å; F224-Y244 HydrophobicContact CZ-CD1 3.88Å; F224-Y244 AromaticContact CZ-CG 3.95Å; F224-Y244 HydrophobicContact CZ-CG 3.95Å
225E87.9Confident78.3Confident113 Ų11353.1 Ų53.153%0.52827%0.274SS..Hα-helixtrans-55.7-47.3167.9-66171.1-163.900111.9D221 I227 S228 S229 A237D221-E225 PolarHBondContact O-N 2.73Å; D221-E225 VanDerWaalsContact O-N 3.11Å; E225-I227 PolarHBondContact O-N 3.33Å; E225-S228 PolarHBondContact O-N 3.06Å; E225-S229 WeakPolarHBondContact O-CB 3.47Å; E225-S229 PolarHBondContact O-N 3.2Å; E225-S229 PolarHBondContact O-OG 2.96Å; E225-A237 HydrophobicContact CG-CB 4.14Å
226A87.6Confident80.1Confident6 Ų650.1 Ų50.15%0.0525%0.254CS..Hα-helixtrans-68.4-32-179.200000113.2W15 V19 K222 I223 F224 S229 M230W15-A226 HydrophobicContact CB-CB 3.68Å; V19-A226 HydrophobicContact CG2-CB 3.86Å; K222-A226 VanDerWaalsContact O-CB 3.26Å; K222-A226 WeakPolarHBondContact O-CB 3.28Å; K222-A226 PolarHBondContact O-N 3.29Å; K222-A226 VanDerWaalsContact O-N 3.13Å; I223-A226 PolarHBondContact O-N 3.46Å; F224-A226 VanDerWaalsContact C-N 3.35Å; F224-A226 PolarHBondContact O-N 2.71Å; A226-S229 WeakPolarHBondContact CA-OG 3.26Å; A226-S229 PolarHBondContact O-OG 3.41Å; A226-S229 VanDerWaalsContact O-OG 3.12Å; A226-M230 WeakPolarHBondContact O-CG 3.27Å
227I87.1Confident81.5Confident1 Ų143.6 Ų43.61%0.00523%0.232CC..Hα-helixtrans-76-45.8174.6-65.5167.9000110.5V19 F171 L174 V175 L178 I223 F224 E225 S229 M230 F231 L240V19-I227 HydrophobicContact CG1-CG1 4.15Å; V19-I227 HydrophobicContact CG2-CG1 4.15Å; F171-I227 HydrophobicContact CD2-CG2 4.41Å; F171-I227 HydrophobicContact CE2-CD1 4.41Å; F171-I227 HydrophobicContact CE2-CG2 4.21Å; L174-I227 HydrophobicContact CG-CD1 4.49Å; V175-I227 HydrophobicContact CG2-CD1 3.53Å; L178-I227 HydrophobicContact CD1-CD1 4.05Å; L178-I227 HydrophobicContact CD1-CG1 4.21Å; I223-I227 HydrophobicContact CG2-CD1 3.84Å; I223-I227 HydrophobicContact CG2-CG1 4.48Å; I223-I227 VanDerWaalsContact O-CG1 3.28Å; I223-I227 WeakPolarHBondContact O-CG1 3.33Å; I223-I227 PolarHBondContact O-N 2.61Å; F224-I227 PolarHBondContact O-N 2.65Å; E225-I227 PolarHBondContact O-N 3.33Å; I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 PolarHBondContact O-N 2.66Å; I227-M230 CarbonylContact O-C 3.48Å; I227-M230 WeakPolarHBondContact O-CA 3.45Å; I227-M230 PolarHBondContact O-N 3.46Å; I227-F231 HydrophobicContact CG2-CD2 3.88Å; I227-F231 HydrophobicContact CG2-CE2 4.48Å; I227-F231 WeakPolarHBondContact O-CD2 3.14Å; I227-F231 PolarHBondContact O-N 2.62Å; I227-L240 HydrophobicContact CB-CD1 4.17Å; I227-L240 HydrophobicContact CG2-CD1 3.83Å
228S86.9Confident82.5Confident23 Ų2343 Ų4316%0.16123%0.231CC..Hα-helixtrans-56.2-44.6176.8-177.30000111.2F224 E225 M230 F231 P232 G235F224-S228 WeakPolarHBondContact O-CB 3.32Å; F224-S228 PolarHBondContact O-N 2.74Å; E225-S228 PolarHBondContact O-N 3.06Å; S228-M230 PolarHBondContact O-N 2.8Å; S228-M230 VanDerWaalsContact O-N 3.14Å; S228-F231 CarbonylContact O-C 3.58Å; S228-F231 PolarHBondContact O-N 3.35Å; S228-F231 VanDerWaalsContact O-N 3.11Å; S228-P232 WeakPolarHBondContact O-CA 3.35Å; S228-G235 PolarHBondContact OG-O 2.89Å
229S84.3Confident82.9Confident58 Ų5842.6 Ų42.641%0.40623%0.231SC..THydrogen-bonded Turntrans-68.2-7.9175.861.90000115.8R16 E225 A226 I227R16-S229 WeakPolarHBondContact CD-OG 3.49Å; E225-S229 WeakPolarHBondContact O-CB 3.47Å; E225-S229 PolarHBondContact O-N 3.2Å; E225-S229 PolarHBondContact O-OG 2.96Å; A226-S229 WeakPolarHBondContact CA-OG 3.26Å; A226-S229 PolarHBondContact O-OG 3.41Å; A226-S229 VanDerWaalsContact O-OG 3.12Å; I227-S229 VanDerWaalsContact C-N 3.3Å; I227-S229 PolarHBondContact O-N 2.66Å
230M82.9Confident83.2Confident14 Ų1442 Ų427%0.06923%0.227CC..THydrogen-bonded Turntrans-107-15.8171.4-67.3-59.4-5100113.2R16 V19 K20 E162 C163 A226 I227 S228R16-M230 HydrophobicContact CB-CG 4.3Å; R16-M230 HydrophobicContact CB-SD 3.76Å; R16-M230 HydrophobicContact CG-CG 4.01Å; R16-M230 HydrophobicContact CG-SD 3.79Å; V19-M230 HydrophobicContact CB-CG 4.39Å; V19-M230 HydrophobicContact CG1-CB 4.27Å; V19-M230 HydrophobicContact CG1-CG 4.04Å; K20-M230 HydrophobicContact CB-CE 4.37Å; K20-M230 HydrophobicContact CD-CE 4.07Å; K20-M230 HydrophobicContact CG-CE 4.47Å; E162-M230 HydrophobicContact CB-CE 4.45Å; C163-M230 VanDerWaalsContact SG-CE 3.51Å; A226-M230 WeakPolarHBondContact O-CG 3.27Å; I227-M230 CarbonylContact O-C 3.48Å; I227-M230 WeakPolarHBondContact O-CA 3.45Å; I227-M230 PolarHBondContact O-N 3.46Å; S228-M230 PolarHBondContact O-N 2.8Å; S228-M230 VanDerWaalsContact O-N 3.14Å
231F81.6Confident83.4Confident1 Ų142.7 Ų42.70%0.00423%0.225CC..  trans-14166.8-179.2-58.7-81.1000111.3V19 Y23 C163 I166 L174 I227 S228 D233 K234V19-F231 HydrophobicContact CG1-CE2 4.45Å; Y23-F231 HydrophobicContact CD1-CZ 4.16Å; Y23-F231 HydrophobicContact CD2-CZ 4.25Å; Y23-F231 HydrophobicContact CE1-CZ 4.19Å; Y23-F231 HydrophobicContact CE2-CZ 4.3Å; Y23-F231 HydrophobicContact CG-CZ 4.18Å; C163-F231 HydrophobicContact CB-CE1 3.81Å; C163-F231 HydrophobicContact CB-CZ 3.95Å; I166-F231 HydrophobicContact CB-CD1 4.2Å; I166-F231 HydrophobicContact CB-CE1 3.82Å; I166-F231 HydrophobicContact CB-CZ 4.12Å; I166-F231 HydrophobicContact CD1-CD2 4.26Å; I166-F231 HydrophobicContact CD1-CE1 4.43Å; I166-F231 HydrophobicContact CD1-CE2 3.89Å; I166-F231 HydrophobicContact CD1-CZ 3.98Å; I166-F231 HydrophobicContact CG2-CD1 3.53Å; I166-F231 HydrophobicContact CG2-CE1 3.69Å; I166-F231 HydrophobicContact CG2-CG 4.05Å; I166-F231 HydrophobicContact CG2-CZ 4.32Å; L174-F231 HydrophobicContact CD2-CE2 4.38Å; I227-F231 HydrophobicContact CG2-CD2 3.88Å; I227-F231 HydrophobicContact CG2-CE2 4.48Å; I227-F231 WeakPolarHBondContact O-CD2 3.14Å; I227-F231 PolarHBondContact O-N 2.62Å; S228-F231 CarbonylContact O-C 3.58Å; S228-F231 PolarHBondContact O-N 3.35Å; S228-F231 VanDerWaalsContact O-N 3.11Å; F231-D233 PolarHBondContact O-N 3.3Å; F231-D233 VanDerWaalsContact O-N 3.13Å; F231-K234 HydrophobicContact CB-CB 4.18Å; F231-K234 HydrophobicContact CB-CG 4.05Å; F231-K234 WeakPolarHBondContact O-CB 3.47Å; F231-K234 PolarHBondContact O-N 3.01Å
232P75.6Confident83.4Confident59 Ų5944.9 Ų44.938%0.38323%0.233SC..G310 helixtrans-62.1-26.3-171.5-24.435.9000114.3S228 K234 G235S228-P232 WeakPolarHBondContact O-CA 3.35Å; P232-K234 PolarHBondContact O-N 3.31Å; P232-G235 PolarHBondContact O-N 3.05Å
233D71.6Confident83.5Confident21 Ų2143.7 Ų43.711%0.11223%0.228CC..G310 helixtrans-77.66.5176.277.4-70.3000114.1H158 R161 F231H158-D233 IonicContact CD2-OD2 3.74Å; H158-D233 PolarHBondContact CD2-OD2 2.86Å; H158-D233 IonicContact NE2-OD2 2.72Å; R161-D233 IonicContact CZ-OD1 3.19Å; R161-D233 VanDerWaalsContact CZ-OD1 3.3Å; R161-D233 IonicContact CZ-OD2 3.15Å; R161-D233 IonicContact NE-OD1 2.78Å; R161-D233 PolarHBondContact NE-OD1 3.38Å; R161-D233 IonicContact NE-OD2 3.15Å; R161-D233 VanDerWaalsContact NH2-CG 3.27Å; R161-D233 IonicContact NH2-OD1 2.72Å; R161-D233 PolarHBondContact NH2-OD1 3.06Å; R161-D233 VanDerWaalsContact NH2-OD1 3.11Å; R161-D233 IonicContact NH2-OD2 3.38Å; R161-D233 PolarHBondContact NH2-OD2 3.27Å; F231-D233 PolarHBondContact O-N 3.3Å; F231-D233 VanDerWaalsContact O-N 3.13Å
234K77.3Confident83.6Confident63 Ų6344.4 Ų44.427%0.27423%0.23SC..G310 helixtrans-108.74.1176.1-64.1-75.9150.9-79.90113I166 F231 P232 L240I166-K234 HydrophobicContact CG2-CD 4.33Å; I166-K234 HydrophobicContact CG2-CG 4.1Å; F231-K234 HydrophobicContact CB-CB 4.18Å; F231-K234 HydrophobicContact CB-CG 4.05Å; F231-K234 WeakPolarHBondContact O-CB 3.47Å; F231-K234 PolarHBondContact O-N 3.01Å; P232-K234 PolarHBondContact O-N 3.31Å; K234-L240 HydrophobicContact CB-CD2 3.95Å; K234-L240 WeakPolarHBondContact O-CD2 3.3Å
235G75.3Confident83.3Confident12 Ų1248 Ų4812%0.12425%0.246CC..  trans108.7174.9172.300000114.1S228 P232 E239S228-G235 PolarHBondContact OG-O 2.89Å; P232-G235 PolarHBondContact O-N 3.05Å; G235-E239 WeakPolarHBondContact CA-OE2 3.3Å
236T83.7Confident83.1Confident66 Ų6649.5 Ų49.541%0.40525%0.253SS..  trans-60.4169.8168.155.60000112.4E238 E239 L240T236-E238 PolarHBondContact O-N 3.32Å; T236-E239 VanDerWaalsContact CB-OE1 3.27Å; T236-E239 WeakPolarHBondContact CB-OE1 3.49Å; T236-E239 VanDerWaalsContact CG2-OE1 3.25Å; T236-E239 WeakPolarHBondContact CG2-OE1 3.34Å; T236-E239 PolarHBondContact N-OE1 3.06Å; T236-E239 PolarHBondContact O-N 2.9Å; T236-E239 WeakPolarHBondContact OG1-CG 3.22Å; T236-E239 PolarHBondContact OG1-N 3.33Å; T236-E239 PolarHBondContact OG1-OE1 2.81Å; T236-L240 WeakPolarHBondContact O-CG 3.41Å; T236-L240 PolarHBondContact O-N 3.12Å
237A86.1Confident82.9Confident14 Ų1452.6 Ų52.612%0.11627%0.269CS..Hα-helixtrans-59.4-37.7174.100000111.3F224 E225 L240 K241F224-A237 HydrophobicContact CB-CB 4.08Å; E225-A237 HydrophobicContact CG-CB 4.14Å; A237-L240 PolarHBondContact O-N 2.91Å; A237-K241 WeakPolarHBondContact O-CB 3.32Å; A237-K241 PolarHBondContact O-N 3.37Å
238E84.9Confident82.5Confident128 Ų12855 Ų5560%0.59828%0.283SS*.Hα-helixtrans-61.9-52.2175.2-72.162.8-146.500111.8T236 L240 K241 E242T236-E238 PolarHBondContact O-N 3.32Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 3.42Å; E238-K241 WeakPolarHBondContact O-CB 3.5Å; E238-K241 PolarHBondContact O-N 3.45Å; E238-K241 VanDerWaalsContact O-N 3.09Å; E238-E242 PolarHBondContact O-N 2.8Å
239E83.6Confident81.9Confident97 Ų9758.8 Ų58.845%0.45330%0.298SS..Hα-helixtrans-57.7-43.2176.8-73.4159.2-103.900112G235 T236 E242 K243G235-E239 WeakPolarHBondContact CA-OE2 3.3Å; T236-E239 VanDerWaalsContact CB-OE1 3.27Å; T236-E239 WeakPolarHBondContact CB-OE1 3.49Å; T236-E239 VanDerWaalsContact CG2-OE1 3.25Å; T236-E239 WeakPolarHBondContact CG2-OE1 3.34Å; T236-E239 PolarHBondContact N-OE1 3.06Å; T236-E239 PolarHBondContact O-N 2.9Å; T236-E239 WeakPolarHBondContact OG1-CG 3.22Å; T236-E239 PolarHBondContact OG1-N 3.33Å; T236-E239 PolarHBondContact OG1-OE1 2.81Å; E239-E242 PolarHBondContact O-N 2.72Å; E239-K243 VanDerWaalsContact O-CB 3.24Å; E239-K243 WeakPolarHBondContact O-CB 3.3Å; E239-K243 PolarHBondContact O-N 2.65Å
240L86.4Confident80.4Confident3 Ų363.9 Ų63.92%0.01632%0.316CS..Hα-helixtrans-65.7-38175.9-69.4178.3000112.2F171 F224 I227 K234 T236 A237 E238 Y244F171-L240 HydrophobicContact CE2-CB 4.34Å; F171-L240 HydrophobicContact CE2-CD2 3.87Å; F171-L240 HydrophobicContact CZ-CB 4.07Å; F171-L240 HydrophobicContact CZ-CD2 3.99Å; F171-L240 WeakPolarHBondContact CZ-O 3.5Å; F224-L240 HydrophobicContact CD1-CB 3.96Å; I227-L240 HydrophobicContact CB-CD1 4.17Å; I227-L240 HydrophobicContact CG2-CD1 3.83Å; K234-L240 HydrophobicContact CB-CD2 3.95Å; K234-L240 WeakPolarHBondContact O-CD2 3.3Å; T236-L240 WeakPolarHBondContact O-CG 3.41Å; T236-L240 PolarHBondContact O-N 3.12Å; A237-L240 PolarHBondContact O-N 2.91Å; E238-L240 VanDerWaalsContact C-N 3.32Å; E238-L240 PolarHBondContact O-N 3.42Å; L240-Y244 VanDerWaalsContact O-CB 3.32Å; L240-Y244 WeakPolarHBondContact O-CB 3.38Å; L240-Y244 PolarHBondContact O-N 2.79Å
241K86.6Confident78.8Confident55 Ų5571.8 Ų71.824%0.23935%0.352CS..Hα-helixtrans-69-36178.1179.9176.4173.9179.40112F218 D221 F224 A237 E238 K245F218-K241 HydrophobicContact CE1-CG 4.04Å; F218-K241 HydrophobicContact CZ-CG 4.15Å; D221-K241 WeakPolarHBondContact OD1-CD 3.33Å; D221-K241 WeakPolarHBondContact OD1-CE 3.37Å; D221-K241 IonicContact OD1-NZ 2.74Å; D221-K241 PolarHBondContact OD1-NZ 2.97Å; D221-K241 IonicContact OD2-NZ 3.7Å; D221-K241 PolarHBondContact OD2-NZ 2.75Å; F224-K241 HydrophobicContact CD1-CB 4.13Å; F224-K241 HydrophobicContact CD2-CB 3.95Å; F224-K241 HydrophobicContact CD2-CD 4.36Å; F224-K241 HydrophobicContact CD2-CG 4.11Å; F224-K241 HydrophobicContact CE1-CB 4.36Å; F224-K241 HydrophobicContact CE2-CB 4.18Å; F224-K241 HydrophobicContact CE2-CG 4.03Å; F224-K241 HydrophobicContact CG-CB 3.93Å; F224-K241 HydrophobicContact CZ-CB 4.38Å; F224-K241 HydrophobicContact CZ-CG 4.44Å; A237-K241 WeakPolarHBondContact O-CB 3.32Å; A237-K241 PolarHBondContact O-N 3.37Å; E238-K241 WeakPolarHBondContact O-CB 3.5Å; E238-K241 PolarHBondContact O-N 3.45Å; E238-K241 VanDerWaalsContact O-N 3.09Å; K241-K245 WeakPolarHBondContact O-CG 3.41Å; K241-K245 PolarHBondContact O-N 2.69Å
242E83.6Confident77Confident121 Ų12177 Ų7757%0.56538%0.38SS*.Hα-helixtrans-71-49.7172-67-165.1143.400111.3E238 E239 Y244 K245 E246E238-E242 PolarHBondContact O-N 2.8Å; E239-E242 PolarHBondContact O-N 2.72Å; E242-Y244 PolarHBondContact O-N 2.9Å; E242-K245 WeakPolarHBondContact O-CA 3.38Å; E242-K245 WeakPolarHBondContact O-CB 3.26Å; E242-K245 PolarHBondContact O-N 2.73Å; E242-E246 PolarHBondContact O-N 3.16Å
243K85.6Confident75.3Confident62 Ų6280.8 Ų80.827%0.2740%0.404SS..Hα-helixtrans-56.3-35.3175.6-175.8170.8-177176.90113.1D168 F171 E239 E246 L247D168-K243 VanDerWaalsContact OD1-CE 3.23Å; D168-K243 WeakPolarHBondContact OD1-CE 3.49Å; D168-K243 IonicContact OD1-NZ 2.69Å; D168-K243 PolarHBondContact OD1-NZ 3.21Å; D168-K243 IonicContact OD2-NZ 3.26Å; F171-K243 HydrophobicContact CE1-CG 4.32Å; E239-K243 VanDerWaalsContact O-CB 3.24Å; E239-K243 WeakPolarHBondContact O-CB 3.3Å; E239-K243 PolarHBondContact O-N 2.65Å; K243-E246 PolarHBondContact O-N 2.86Å; K243-L247 HydrophobicContact CD-CD1 4.48Å; K243-L247 HydrophobicContact CG-CD1 3.87Å; K243-L247 HydrophobicContact CG-CG 4.39Å; K243-L247 WeakPolarHBondContact O-CB 3.5Å; K243-L247 VanDerWaalsContact O-CG 3.26Å; K243-L247 WeakPolarHBondContact O-CG 3.26Å; K243-L247 PolarHBondContact O-N 2.69Å; K243-L247 VanDerWaalsContact O-N 3.09Å
244Y87.4Confident74.2Confident14 Ų1482.7 Ų82.76%0.05543%0.429CS..Hα-helixtrans-66.9-36.9174.9178.5-98.1000112.7F171 V172 V175 N176 F218 P219 F224 L240 E242 T248F171-Y244 HydrophobicContact CE1-CD2 4.45Å; V172-Y244 HydrophobicContact CG1-CE2 4.41Å; V175-Y244 HydrophobicContact CB-CD2 3.7Å; V175-Y244 HydrophobicContact CB-CE2 3.54Å; V175-Y244 HydrophobicContact CG1-CD1 4.33Å; V175-Y244 HydrophobicContact CG1-CD2 3.6Å; V175-Y244 HydrophobicContact CG1-CE1 4.13Å; V175-Y244 HydrophobicContact CG1-CE2 3.35Å; V175-Y244 HydrophobicContact CG1-CG 4.08Å; V175-Y244 HydrophobicContact CG2-CD2 3.97Å; V175-Y244 HydrophobicContact CG2-CE2 4.32Å; N176-Y244 PolarHBondContact ND2-OH 3.39Å; F218-Y244 HydrophobicContact CE2-CD1 4.06Å; F218-Y244 HydrophobicContact CE2-CE1 4.22Å; F218-Y244 HydrophobicContact CZ-CD1 4.04Å; P219-Y244 HydrophobicContact CG-CD1 4.45Å; P219-Y244 HydrophobicContact CG-CE1 3.66Å; F224-Y244 HydrophobicContact CE1-CD1 4.4Å; F224-Y244 HydrophobicContact CE1-CG 4Å; F224-Y244 AromaticContact CZ-CD1 3.88Å; F224-Y244 HydrophobicContact CZ-CD1 3.88Å; F224-Y244 AromaticContact CZ-CG 3.95Å; F224-Y244 HydrophobicContact CZ-CG 3.95Å; L240-Y244 VanDerWaalsContact O-CB 3.32Å; L240-Y244 WeakPolarHBondContact O-CB 3.38Å; L240-Y244 PolarHBondContact O-N 2.79Å; E242-Y244 PolarHBondContact O-N 2.9Å; Y244-T248 HydrophobicContact CD2-CG2 4.07Å; Y244-T248 HydrophobicContact CE1-CG2 4.15Å; Y244-T248 HydrophobicContact CE2-CG2 3.6Å; Y244-T248 WeakPolarHBondContact O-CB 3.37Å; Y244-T248 WeakPolarHBondContact O-CG2 3.19Å; Y244-T248 PolarHBondContact O-N 3.1Å; Y244-T248 VanDerWaalsContact O-N 3.11Å; Y244-T248 PolarHBondContact O-OG1 3.41Å
245K83.9Confident72.9Confident76 Ų7682.4 Ų82.433%0.3344%0.439SS..Hα-helixtrans-62.4-52.8172-61.8165.4-168.8168.80110.2F218 K241 E242 L247 T248 E249F218-K245 HydrophobicContact CE2-CG 3.89Å; F218-K245 HydrophobicContact CZ-CG 4.05Å; K241-K245 WeakPolarHBondContact O-CG 3.41Å; K241-K245 PolarHBondContact O-N 2.69Å; E242-K245 WeakPolarHBondContact O-CA 3.38Å; E242-K245 WeakPolarHBondContact O-CB 3.26Å; E242-K245 PolarHBondContact O-N 2.73Å; K245-L247 PolarHBondContact O-N 2.99Å; K245-L247 VanDerWaalsContact O-N 3.13Å; K245-T248 PolarHBondContact O-N 2.83Å; K245-E249 WeakPolarHBondContact O-CG 3.45Å; K245-E249 PolarHBondContact O-N 3.28Å
246E82.9Confident71.9Confident146 Ų14686.7 Ų86.768%0.68246%0.458SS*.Hα-helixtrans-54-36.8-179.7-65.6-174146.400113E242 K243E242-E246 PolarHBondContact O-N 3.16Å; K243-E246 PolarHBondContact O-N 2.86Å
247L83.9Confident70.8Confident71 Ų7186.4 Ų86.437%0.37246%0.457SS..Hα-helixtrans-86.4-10.9179.9-67.5172.6000114.7D168 F171 V172 K243 K245D168-L247 HydrophobicContact CB-CD1 3.83Å; D168-L247 HydrophobicContact CB-CD2 4.26Å; F171-L247 HydrophobicContact CD1-CD1 4.01Å; F171-L247 HydrophobicContact CE1-CD1 4.41Å; V172-L247 HydrophobicContact CG2-CB 3.6Å; V172-L247 HydrophobicContact CG2-CD1 3.95Å; V172-L247 HydrophobicContact CG2-CG 4.42Å; K243-L247 HydrophobicContact CD-CD1 4.48Å; K243-L247 HydrophobicContact CG-CD1 3.87Å; K243-L247 HydrophobicContact CG-CG 4.39Å; K243-L247 WeakPolarHBondContact O-CB 3.5Å; K243-L247 VanDerWaalsContact O-CG 3.26Å; K243-L247 WeakPolarHBondContact O-CG 3.26Å; K243-L247 PolarHBondContact O-N 2.69Å; K243-L247 VanDerWaalsContact O-N 3.09Å; K245-L247 PolarHBondContact O-N 2.99Å; K245-L247 VanDerWaalsContact O-N 3.13Å
248T79.3Confident69.7Low51 Ų5192 Ų9231%0.31349%0.493SS..Hα-helixtrans-115.2-16.9179.856.40000114.5V172 Y244 K245 Q250V172-T248 HydrophobicContact CG1-CG2 3.79Å; V172-T248 HydrophobicContact CG2-CG2 4.36Å; Y244-T248 HydrophobicContact CD2-CG2 4.07Å; Y244-T248 HydrophobicContact CE1-CG2 4.15Å; Y244-T248 HydrophobicContact CE2-CG2 3.6Å; Y244-T248 WeakPolarHBondContact O-CB 3.37Å; Y244-T248 WeakPolarHBondContact O-CG2 3.19Å; Y244-T248 PolarHBondContact O-N 3.1Å; Y244-T248 VanDerWaalsContact O-N 3.11Å; Y244-T248 PolarHBondContact O-OG1 3.41Å; K245-T248 PolarHBondContact O-N 2.83Å; T248-Q250 PolarHBondContact O-N 3.27Å; T248-Q250 VanDerWaalsContact O-N 3.11Å
249E74.5Confident68.9Low102 Ų10295 Ų9548%0.47751%0.507SS..SBendtrans-64.8108.2166.2-75.7-177.3-150.400109.9K245 Q251K245-E249 WeakPolarHBondContact O-CG 3.45Å; K245-E249 PolarHBondContact O-N 3.28Å; E249-Q251 PolarHBondContact O-N 2.91Å
250Q52.7Low68.5Low166 Ų16693.4 Ų93.478%0.77651%0.506SS*.  trans-64.9106.9-172.4-67.6-177.1-6.400111.6T248 L252T248-Q250 PolarHBondContact O-N 3.27Å; T248-Q250 VanDerWaalsContact O-N 3.11Å; Q250-L252 PolarHBondContact O-N 3.21Å
251Q48.7Very low68.3Low179 Ų17995.7 Ų95.784%0.83652%0.52SS*.  trans-7074.1165.3-65.8-168.814.600110.8E249E249-Q251 PolarHBondContact O-N 2.91Å
252L43.3Very low68.3Low110 Ų11094.1 Ų94.158%0.57652%0.515SS*.  trans-56.3129157.9-73.1169.4000107.8Q250 G254 A255Q250-L252 PolarHBondContact O-N 3.21Å; L252-G254 PolarHBondContact O-N 2.94Å; L252-A255 HydrophobicContact CB-CB 3.75Å; L252-A255 WeakPolarHBondContact O-CB 3.48Å; L252-A255 PolarHBondContact O-N 3.43Å
253P40.8Very low68.5Low139 Ų13993.2 Ų93.290%0.90351%0.514SS*.THydrogen-bonded Turntrans-56.1108.5-175-2936.2000112.9
254G48.8Very low68.8Low62 Ų6292.7 Ų92.764%0.63951%0.514SS*.THydrogen-bonded Turntrans90.61.3-178.600000116.1L252L252-G254 PolarHBondContact O-N 2.94Å
255A48.7Very low69Low57 Ų5798.9 Ų98.947%0.47155%0.548SS..PPolyproline II helixtrans-81126.2165.500000109.9L252L252-A255 HydrophobicContact CB-CB 3.75Å; L252-A255 WeakPolarHBondContact O-CB 3.48Å; L252-A255 PolarHBondContact O-N 3.43Å
256L54.1Low69.3Low101 Ų10196.3 Ų96.353%0.52954%0.543SS..PPolyproline II helixtrans-91.2147.9171.8-74166.6000110C260 P262L256-C260 HydrophobicContact CB-CB 3.95Å; L256-C260 HydrophobicContact CD2-CB 4.32Å; L256-P262 HydrophobicContact CD1-CB 4.05Å; L256-P262 HydrophobicContact CD1-CG 4.18Å
257P61.2Low69.5Low60 Ų6095.9 Ų95.939%0.3955%0.552SS.*PPolyproline II helixtrans-52.8154.4172.7-27.334.6000112.6E259 C260P257-E259 PolarHBondContact O-N 2.83Å; P257-C260 HydrophobicContact CB-CB 4.4Å; P257-C260 WeakPolarHBondContact O-CB 3.4Å; P257-C260 PolarHBondContact O-N 3.5Å
258P62.6Low69.7Low133 Ų13397.5 Ų97.586%0.86456%0.562SS**THydrogen-bonded Turntrans-56.1-29.2-171.8-27.335.6000115.2
259E67.9Low70.2Confident190 Ų19096.2 Ų96.289%0.88856%0.556SS**THydrogen-bonded Turntrans-92.5-11.6-178.5-55.8-172.7156.900113P257P257-E259 PolarHBondContact O-N 2.83Å
260C74.9Confident70.9Confident64 Ų6498.3 Ų98.343%0.43256%0.564SS.*SBendtrans-81119.1177.8-75.30000111.3L256 P257 P262L256-C260 HydrophobicContact CB-CB 3.95Å; L256-C260 HydrophobicContact CD2-CB 4.32Å; P257-C260 HydrophobicContact CB-CB 4.4Å; P257-C260 WeakPolarHBondContact O-CB 3.4Å; P257-C260 PolarHBondContact O-N 3.5Å; C260-P262 WeakPolarHBondContact O-CD 3.48Å
261T83.3Confident72.7Confident51 Ų5193.4 Ų93.431%0.31355%0.548SS..PPolyproline II helixtrans-73.6126.3174.8-65.90000110.6V272 Q276T261-V272 HydrophobicContact CG2-CG1 4.4Å; T261-V272 HydrophobicContact CG2-CG2 3.85Å; T261-Q276 PolarHBondContact OG1-O 3.49Å
262P85.8Confident74.7Confident21 Ų2186 Ų8614%0.13652%0.515CS..PPolyproline II helixtrans-60.3149.8175.7-24.334.7000113.3L256 C260 I264 N268 K270L256-P262 HydrophobicContact CD1-CB 4.05Å; L256-P262 HydrophobicContact CD1-CG 4.18Å; C260-P262 WeakPolarHBondContact O-CD 3.48Å; P262-I264 PolarHBondContact O-N 2.79Å; P262-N268 WeakPolarHBondContact CB-O 3.14Å; P262-K270 HydrophobicContact CG-CB 4.45Å; P262-K270 HydrophobicContact CG-CD 4.18Å; P262-K270 HydrophobicContact CG-CG 4.21Å
263N88.8Confident76.9Confident102 Ų10285 Ų8555%0.54551%0.508SS..PPolyproline II helixtrans-56.9129174.5-175.614.3000110.4D265 G266N263-D265 PolarHBondContact O-N 2.78Å; N263-D265 PolarHBondContact OD1-N 3.07Å; N263-G266 PolarHBondContact O-N 2.89Å
264I91.6Very high79.2Confident51 Ų5181.3 Ų81.326%0.26248%0.475SS..THydrogen-bonded Turntrans-65.9-28.5-179.5-162.1161.8000112.3P262 G266 A440 M444P262-I264 PolarHBondContact O-N 2.79Å; I264-G266 VanDerWaalsContact C-N 3.3Å; I264-A440 HydrophobicContact CG1-CB 3.83Å; I264-A440 VanDerWaalsContact O-CB 3.23Å; I264-A440 WeakPolarHBondContact O-CB 3.48Å; I264-M444 HydrophobicContact CD1-CB 4.17Å; I264-M444 HydrophobicContact CD1-CE 4.09Å
265D91.9Very high81Confident145 Ų14582.2 Ų82.278%0.77546%0.463SS*.THydrogen-bonded Turntrans-87.52.4175-51.6-49000112.8N263N263-D265 PolarHBondContact O-N 2.78Å; N263-D265 PolarHBondContact OD1-N 3.07Å
266G88.8Confident82.9Confident21 Ų2184.1 Ų84.122%0.21646%0.462CS..SBendtrans-95.7158-176.100000114N263 I264 N268 A269N263-G266 PolarHBondContact O-N 2.89Å; I264-G266 VanDerWaalsContact C-N 3.3Å; G266-N268 PolarHBondContact O-N 3.11Å; G266-N268 VanDerWaalsContact O-N 3.14Å; G266-A269 VanDerWaalsContact O-CB 3.3Å; G266-A269 WeakPolarHBondContact O-CB 3.36Å; G266-A269 PolarHBondContact O-N 3.1Å; G266-A269 VanDerWaalsContact O-N 3.13Å
267P87.8Confident84.6Confident137 Ų13780.3 Ų80.389%0.8944%0.444SS*.THydrogen-bonded Turntrans-63.2-2217827.2-35.6000113.3
268N87.5Confident86Confident105 Ų10579 Ų7956%0.56143%0.433SS*.THydrogen-bonded Turntrans-93.517.9179.3-64.2-6.8000113P262 G266 K270P262-N268 WeakPolarHBondContact CB-O 3.14Å; G266-N268 PolarHBondContact O-N 3.11Å; G266-N268 VanDerWaalsContact O-N 3.14Å; N268-K270 PolarHBondContact O-N 2.77Å
269A89.8Confident87.2Confident25 Ų2577.3 Ų77.321%0.20741%0.414CS..  trans-61.5116-177.900000112.3G266 A440G266-A269 VanDerWaalsContact O-CB 3.3Å; G266-A269 WeakPolarHBondContact O-CB 3.36Å; G266-A269 PolarHBondContact O-N 3.1Å; G266-A269 VanDerWaalsContact O-N 3.13Å; A269-A440 HydrophobicContact CB-CB 4.05Å
270K89.5Confident88.1Confident145 Ų14571.5 Ų71.563%0.6339%0.394SS*.  trans-96153.7179.4-69.2-179.3-177.9176.70111.7P262 N268 V272 S443P262-K270 HydrophobicContact CG-CB 4.45Å; P262-K270 HydrophobicContact CG-CD 4.18Å; P262-K270 HydrophobicContact CG-CG 4.21Å; N268-K270 PolarHBondContact O-N 2.77Å; K270-V272 HydrophobicContact CB-CG1 4.27Å; K270-V272 PolarHBondContact O-N 2.71Å; K270-S443 PolarHBondContact O-OG 2.89Å
271S91.5Very high88.8Confident64 Ų6474 Ų7445%0.44840%0.398SS..  trans-76.4102.2172.1-1710000109.7A442 R446S271-A442 WeakPolarHBondContact OG-CB 3.48Å; S271-R446 PolarHBondContact OG-NH1 3.28Å; S271-R446 PolarHBondContact OG-NH2 2.68Å
272V90.4Very high89Confident23 Ų2372.8 Ų72.814%0.13939%0.389CS..  trans-118.1174.4-174.8-690000111.9T261 K270 Q276 S277 S443 R446T261-V272 HydrophobicContact CG2-CG1 4.4Å; T261-V272 HydrophobicContact CG2-CG2 3.85Å; K270-V272 HydrophobicContact CB-CG1 4.27Å; K270-V272 PolarHBondContact O-N 2.71Å; V272-Q276 HydrophobicContact CB-CB 4.25Å; V272-S277 WeakPolarHBondContact CG2-OG 3.37Å; V272-S443 VanDerWaalsContact CG2-OG 3.32Å; V272-S443 WeakPolarHBondContact CG2-OG 3.37Å; V272-S443 PolarHBondContact N-OG 2.92Å; V272-R446 VanDerWaalsContact O-CD 3.26Å; V272-R446 WeakPolarHBondContact O-CD 3.37Å; V272-R446 PolarHBondContact O-NH1 2.94Å
273Q90.4Very high88.9Confident90 Ų9073.2 Ų73.242%0.42139%0.391SS..  trans-80.3161.1175.3-71-63.4-18.400112.5E275 Q276 S277Q273-E275 VanDerWaalsContact C-N 3.34Å; Q273-E275 PolarHBondContact O-N 3.07Å; Q273-Q276 HydrophobicContact CB-CG 4.45Å; Q273-Q276 PolarHBondContact O-N 3.48Å; Q273-S277 PolarHBondContact O-N 2.93Å; Q273-S277 PolarHBondContact O-OG 3.44Å
274R88.1Confident88.8Confident60 Ų6072.4 Ų72.423%0.22639%0.386CS..Hα-helixtrans-54-47.9177.5169173163.7119.9-0.6112.4Q276 S277 L278 V447 G450 T451R274-Q276 VanDerWaalsContact C-N 3.32Å; R274-Q276 PolarHBondContact O-N 3.28Å; R274-S277 WeakPolarHBondContact O-CB 3.34Å; R274-S277 PolarHBondContact O-N 2.75Å; R274-L278 HydrophobicContact CG-CD1 3.83Å; R274-L278 HydrophobicContact CG-CG 4.47Å; R274-L278 WeakPolarHBondContact O-CB 3.32Å; R274-L278 WeakPolarHBondContact O-CG 3.31Å; R274-L278 PolarHBondContact O-N 3.37Å; R274-V447 HydrophobicContact CB-CG2 4.48Å; R274-V447 HydrophobicContact CG-CG2 4.29Å; R274-V447 PolarHBondContact NH1-O 3.4Å; R274-G450 PolarHBondContact NH1-O 3.42Å; R274-T451 PolarHBondContact NH1-OG1 3.49Å
275E87.2Confident88.7Confident81 Ų8172.8 Ų72.838%0.37939%0.386SS..Hα-helixtrans-71.4-29.9-173.9-159.959.8-15400111.9Q273 H279 H282 Y311Q273-E275 VanDerWaalsContact C-N 3.34Å; Q273-E275 PolarHBondContact O-N 3.07Å; E275-H279 VanDerWaalsContact O-CA 3.26Å; E275-H279 WeakPolarHBondContact O-CA 3.44Å; E275-H279 VanDerWaalsContact O-CB 3.29Å; E275-H279 WeakPolarHBondContact O-CB 3.18Å; E275-H279 PolarHBondContact O-N 3.35Å; E275-H282 IonicContact OE1-CE1 2.65Å; E275-H282 PolarHBondContact OE1-CE1 3.35Å; E275-H282 IonicContact OE1-CG 3.82Å; E275-H282 IonicContact OE1-ND1 2.69Å; E275-H282 PolarHBondContact OE1-ND1 2.94Å; E275-H282 IonicContact OE2-CE1 3.94Å; E275-H282 IonicContact OE2-ND1 3.39Å; E275-Y311 WeakPolarHBondContact OE1-CE2 3.24Å; E275-Y311 PolarHBondContact OE1-OH 2.94Å
276Q88.1Confident88.6Confident97 Ų9766.9 Ų66.945%0.45336%0.356SS..Hα-helixtrans-65.9-49169.7-69.6168.5-33.800110.7T261 V272 Q273 R274 L278 H279T261-Q276 PolarHBondContact OG1-O 3.49Å; V272-Q276 HydrophobicContact CB-CB 4.25Å; Q273-Q276 HydrophobicContact CB-CG 4.45Å; Q273-Q276 PolarHBondContact O-N 3.48Å; R274-Q276 VanDerWaalsContact C-N 3.32Å; R274-Q276 PolarHBondContact O-N 3.28Å; Q276-L278 PolarHBondContact O-N 3.45Å; Q276-H279 WeakPolarHBondContact O-CB 3.36Å; Q276-H279 PolarHBondContact O-N 3.35Å; Q276-H279 VanDerWaalsContact O-N 3.16Å
277S90.2Very high88.6Confident22 Ų2270.2 Ų70.215%0.15436%0.362CS..Hα-helixtrans-57.2-32.8177.2-50.30000113.4V272 Q273 R274V272-S277 WeakPolarHBondContact CG2-OG 3.37Å; Q273-S277 PolarHBondContact O-N 2.93Å; Q273-S277 PolarHBondContact O-OG 3.44Å; R274-S277 WeakPolarHBondContact O-CB 3.34Å; R274-S277 PolarHBondContact O-N 2.75Å
278L89.5Confident88.7Confident31 Ų3165.8 Ų65.816%0.16233%0.327CS..Hα-helixtrans-101.7-3.1-178.4-63.1177.9000113.7R274 Q276 S280 F281 H282 V447R274-L278 HydrophobicContact CG-CD1 3.83Å; R274-L278 HydrophobicContact CG-CG 4.47Å; R274-L278 WeakPolarHBondContact O-CB 3.32Å; R274-L278 WeakPolarHBondContact O-CG 3.31Å; R274-L278 PolarHBondContact O-N 3.37Å; Q276-L278 PolarHBondContact O-N 3.45Å; L278-S280 PolarHBondContact O-N 2.82Å; L278-F281 CarbonylContact O-C 3.21Å; L278-F281 WeakPolarHBondContact O-CA 3.06Å; L278-F281 WeakPolarHBondContact O-CB 3.48Å; L278-F281 PolarHBondContact O-N 2.74Å; L278-H282 PolarHBondContact O-N 3.44Å; L278-V447 HydrophobicContact CD1-CG1 4.32Å; L278-V447 HydrophobicContact CD2-CG1 4.19Å; L278-V447 HydrophobicContact CD2-CG2 4.41Å; L278-V447 HydrophobicContact CG-CG1 4.46Å; L278-V447 HydrophobicContact CG-CG2 4.19Å
279H87.8Confident88.9Confident99 Ų9962.6 Ų62.646%0.45831%0.313SS..Hα-helixtrans-53.5-59.2-166.9-178.477.7000112.1E275 Q276 F281 H282 T283E275-H279 VanDerWaalsContact O-CA 3.26Å; E275-H279 WeakPolarHBondContact O-CA 3.44Å; E275-H279 VanDerWaalsContact O-CB 3.29Å; E275-H279 WeakPolarHBondContact O-CB 3.18Å; E275-H279 PolarHBondContact O-N 3.35Å; Q276-H279 WeakPolarHBondContact O-CB 3.36Å; Q276-H279 PolarHBondContact O-N 3.35Å; Q276-H279 VanDerWaalsContact O-N 3.16Å; H279-F281 PolarHBondContact O-N 3.17Å; H279-H282 PolarHBondContact O-N 3.17Å; H279-T283 PolarHBondContact O-N 3.06Å; H279-T283 PolarHBondContact O-OG1 3.47Å
280S87.6Confident89.1Confident68 Ų6867.4 Ų67.448%0.47633%0.33SS..Hα-helixtrans-59.7-31.4-179.7-42.80000112.7L278 L284L278-S280 PolarHBondContact O-N 2.82Å; S280-L284 VanDerWaalsContact O-CB 3.29Å; S280-L284 WeakPolarHBondContact O-CB 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.35Å; S280-L284 PolarHBondContact O-N 3.41Å
281F89.8Confident89.1Confident116 Ų11665.7 Ų65.751%0.50932%0.322SS..Hα-helixtrans-74.1-36.4175.7-61.6-76.8000112.2L278 H279 F285 Y292L278-F281 CarbonylContact O-C 3.21Å; L278-F281 WeakPolarHBondContact O-CA 3.06Å; L278-F281 WeakPolarHBondContact O-CB 3.48Å; L278-F281 PolarHBondContact O-N 2.74Å; H279-F281 PolarHBondContact O-N 3.17Å; F281-F285 WeakPolarHBondContact O-CB 3.48Å; F281-Y292 HydrophobicContact CB-CE1 4.47Å; F281-Y292 AromaticContact CD1-CE1 3.97Å; F281-Y292 HydrophobicContact CD1-CE1 3.97Å; F281-Y292 AromaticContact CD1-CZ 3.97Å
282H86.9Confident89.1Confident25 Ų2568.7 Ų68.712%0.11633%0.325CS..Hα-helixtrans-74.9-38.6176.7-68.8170.3000112.7E275 L278 H279 Y311E275-H282 IonicContact OE1-CE1 2.65Å; E275-H282 PolarHBondContact OE1-CE1 3.35Å; E275-H282 IonicContact OE1-CG 3.82Å; E275-H282 IonicContact OE1-ND1 2.69Å; E275-H282 PolarHBondContact OE1-ND1 2.94Å; E275-H282 IonicContact OE2-CE1 3.94Å; E275-H282 IonicContact OE2-ND1 3.39Å; L278-H282 PolarHBondContact O-N 3.44Å; H279-H282 PolarHBondContact O-N 3.17Å; H282-Y311 HydrophobicContact CB-CD1 3.96Å; H282-Y311 HydrophobicContact CB-CD2 4.46Å; H282-Y311 HydrophobicContact CB-CE1 3.89Å; H282-Y311 HydrophobicContact CB-CE2 4.41Å; H282-Y311 HydrophobicContact CB-CG 4.24Å; H282-Y311 AromaticContact CD2-CD2 3.87Å; H282-Y311 AromaticContact CD2-CG 3.85Å; H282-Y311 AromaticContact CE1-CD2 3.44Å; H282-Y311 VanDerWaalsContact CE1-CD2 3.44Å; H282-Y311 WeakPolarHBondContact CE1-CD2 3.44Å; H282-Y311 AromaticContact CE1-CE2 3.64Å; H282-Y311 AromaticContact CG-CD2 3.74Å; H282-Y311 AromaticContact CG-CE2 3.89Å; H282-Y311 AromaticContact CG-CG 3.83Å; H282-Y311 AromaticContact ND1-CD2 3.47Å; H282-Y311 WeakPolarHBondContact ND1-CD2 3.49Å; H282-Y311 AromaticContact ND1-CE2 3.33Å; H282-Y311 VanDerWaalsContact ND1-CE2 3.33Å; H282-Y311 WeakPolarHBondContact ND1-CE2 3.26Å; H282-Y311 AromaticContact ND1-CZ 3.81Å; H282-Y311 AromaticContact NE2-CD2 3.69Å
283T83.6Confident88.9Confident31 Ų3171.6 Ų71.619%0.1934%0.339CS..Hα-helixtrans-81-38.7-175.153.60000113.5H279 H305H279-T283 PolarHBondContact O-N 3.06Å; H279-T283 PolarHBondContact O-OG1 3.47Å; T283-H305 PolarHBondContact O-ND1 3.49Å
284L87.1Confident88.9Confident84 Ų8467.8 Ų67.844%0.4432%0.323SS..Hα-helixtrans-89.2-19.2-176.2-59.7174.3000113.9S280 C286 Y292 D293S280-L284 VanDerWaalsContact O-CB 3.29Å; S280-L284 WeakPolarHBondContact O-CB 3.3Å; S280-L284 WeakPolarHBondContact O-CG 3.35Å; S280-L284 PolarHBondContact O-N 3.41Å; L284-C286 PolarHBondContact O-N 2.92Å; L284-Y292 HydrophobicContact CB-CD1 4.07Å; L284-Y292 CarbonylContact O-C 3.6Å; L284-Y292 VanDerWaalsContact O-CA 3.31Å; L284-Y292 WeakPolarHBondContact O-CA 3.39Å; L284-D293 PolarHBondContact O-N 3.38Å
285F88.6Confident89Confident60 Ų6071.1 Ų71.126%0.26334%0.339SS..EExtended strand (participates in β ladder)trans-79.6113.5-174.1-173.5-106.2000113.6F281 R287 F290 Y292F281-F285 WeakPolarHBondContact O-CB 3.48Å; F285-R287 PolarHBondContact O-N 2.92Å; F285-F290 HydrophobicContact CE2-CB 4.4Å; F285-F290 HydrophobicContact CZ-CB 4.06Å; F285-F290 HydrophobicContact CZ-CD1 4.06Å; F285-Y292 HydrophobicContact CB-CD1 3.88Å; F285-Y292 HydrophobicContact CB-CE1 3.62Å; F285-Y292 HydrophobicContact CD2-CD1 4.12Å; F285-Y292 HydrophobicContact CD2-CD2 4.5Å; F285-Y292 AromaticContact CD2-CE1 3.73Å; F285-Y292 HydrophobicContact CD2-CE1 3.73Å; F285-Y292 HydrophobicContact CD2-CE2 4.12Å; F285-Y292 HydrophobicContact CD2-CG 4.48Å; F285-Y292 AromaticContact CD2-CZ 3.71Å; F285-Y292 HydrophobicContact CG-CE1 4.11Å
286C89.8Confident89.1Confident20 Ų2068.5 Ų68.514%0.13533%0.328CS..EExtended strand (participates in β ladder)trans-79.5106.4172.4-1760000112.1L284 R288 C289 F290 K291 C294 H297L284-C286 PolarHBondContact O-N 2.92Å; C286-R288 PolarHBondContact O-N 2.86Å; C286-R288 VanDerWaalsContact O-N 3.1Å; C286-R288 PolarHBondContact SG-N 3.23Å; C286-R288 VanDerWaalsContact SG-N 3.44Å; C286-C289 PolarHBondContact O-N 3.46Å; C286-F290 WeakPolarHBondContact O-CA 3.38Å; C286-F290 PolarHBondContact O-N 2.91Å; C286-K291 PolarHBondContact N-O 3.03Å; C286-C294 HydrophobicContact CB-CB 3.96Å; C286-C294 WeakPolarHBondContact CB-SG 3.24Å; C286-C294 PolarHBondContact SG-SG 3.47Å; C286-H297 PolarHBondContact SG-ND1 3.37Å
287R88.5Confident89.1Confident92 Ų9265 Ų6535%0.34731%0.311SS..THydrogen-bonded Turntrans-60.3-16.3174.2177.956.2-172.189.1-5.3114.4F285 F290 T310F285-R287 PolarHBondContact O-N 2.92Å; R287-F290 VanDerWaalsContact NH1-CE1 3.32Å; R287-T310 HydrophobicContact CB-CG2 3.94Å; R287-T310 HydrophobicContact CG-CG2 3.88Å
288R90.7Very high88.2Confident43 Ų4369.8 Ų69.816%0.16233%0.326CS..THydrogen-bonded Turntrans-77.7-45.6179.3-64.9165.169.6139-0112.4C286 H297 Y525 F551 G709 D710C286-R288 PolarHBondContact O-N 2.86Å; C286-R288 VanDerWaalsContact O-N 3.1Å; C286-R288 PolarHBondContact SG-N 3.23Å; C286-R288 VanDerWaalsContact SG-N 3.44Å; R288-H297 PolarHBondContact NE-CD2 3.41Å; R288-H297 PolarHBondContact NE-NE2 3.21Å; R288-Y525 PolarHBondContact NH1-O 2.79Å; R288-F551 HydrophobicContact CB-CE1 4.26Å; R288-F551 HydrophobicContact CB-CZ 4.45Å; R288-F551 HydrophobicContact CG-CD1 4.05Å; R288-F551 HydrophobicContact CG-CD2 4.42Å; R288-F551 HydrophobicContact CG-CE1 4.19Å; R288-F551 HydrophobicContact CG-CG 4.15Å; R288-F551 HydrophobicContact CG-CZ 4.42Å; R288-G709 VanDerWaalsContact NH2-C 3.33Å; R288-G709 PolarHBondContact NH2-O 3.09Å; R288-D710 IonicContact CZ-OD1 3.36Å; R288-D710 IonicContact NE-OD1 2.81Å; R288-D710 IonicContact NH2-OD1 2.72Å; R288-D710 PolarHBondContact NH2-OD1 3.2Å
289C91.9Very high86.9Confident39 Ų3972 Ų7226%0.26433%0.334SS..THydrogen-bonded Turntrans-117.51.2-174.963.70000115.2C286 C294C286-C289 PolarHBondContact O-N 3.46Å; C289-C294 WeakPolarHBondContact SG-CB 3.45Å; C289-C294 VanDerWaalsContact SG-SG 3.66Å
290F93.1Very high84.7Confident126 Ų12669 Ų6955%0.55332%0.324SS*.THydrogen-bonded Turntrans6239.6175.9-44.9-81.2000114.7F285 C286 R287F285-F290 HydrophobicContact CE2-CB 4.4Å; F285-F290 HydrophobicContact CZ-CB 4.06Å; F285-F290 HydrophobicContact CZ-CD1 4.06Å; C286-F290 WeakPolarHBondContact O-CA 3.38Å; C286-F290 PolarHBondContact O-N 2.91Å; R287-F290 VanDerWaalsContact NH1-CE1 3.32Å
291K91.1Very high82.3Confident109 Ų10972.9 Ų72.947%0.47434%0.339SS..EExtended strand (participates in β ladder)trans-127.9151.4176.2-63.4-179-178.9179.30110.8C286 C294C286-K291 PolarHBondContact N-O 3.03Å; K291-C294 HydrophobicContact CB-CB 4.16Å
292Y90.3Very high80Confident127 Ų12776.2 Ų76.250%0.49835%0.35SS..EExtended strand (participates in β ladder)trans-78144.5163.6-58.4-81000109.7F281 L284 F285 C294F281-Y292 HydrophobicContact CB-CE1 4.47Å; F281-Y292 AromaticContact CD1-CE1 3.97Å; F281-Y292 HydrophobicContact CD1-CE1 3.97Å; F281-Y292 AromaticContact CD1-CZ 3.97Å; L284-Y292 HydrophobicContact CB-CD1 4.07Å; L284-Y292 CarbonylContact O-C 3.6Å; L284-Y292 VanDerWaalsContact O-CA 3.31Å; L284-Y292 WeakPolarHBondContact O-CA 3.39Å; F285-Y292 HydrophobicContact CB-CD1 3.88Å; F285-Y292 HydrophobicContact CB-CE1 3.62Å; F285-Y292 HydrophobicContact CD2-CD1 4.12Å; F285-Y292 HydrophobicContact CD2-CD2 4.5Å; F285-Y292 AromaticContact CD2-CE1 3.73Å; F285-Y292 HydrophobicContact CD2-CE1 3.73Å; F285-Y292 HydrophobicContact CD2-CE2 4.12Å; F285-Y292 HydrophobicContact CD2-CG 4.48Å; F285-Y292 AromaticContact CD2-CZ 3.71Å; F285-Y292 HydrophobicContact CG-CE1 4.11Å; Y292-C294 PolarHBondContact O-N 3.34Å
293D86.3Confident77.8Confident83 Ų8379.4 Ų79.444%0.44438%0.375SS..SBendtrans36.869-176.4-169.628.7000114L284 R298L284-D293 PolarHBondContact O-N 3.38Å; D293-R298 IonicContact OD1-NH1 2.64Å
294C90.2Very high76.1Confident11 Ų1181.4 Ų81.47%0.07438%0.381CS..  trans-83130.4-169.572.70000113.4C286 C289 K291 Y292 L296 H297C286-C294 HydrophobicContact CB-CB 3.96Å; C286-C294 WeakPolarHBondContact CB-SG 3.24Å; C286-C294 PolarHBondContact SG-SG 3.47Å; C289-C294 WeakPolarHBondContact SG-CB 3.45Å; C289-C294 VanDerWaalsContact SG-SG 3.66Å; K291-C294 HydrophobicContact CB-CB 4.16Å; Y292-C294 PolarHBondContact O-N 3.34Å; C294-L296 PolarHBondContact O-N 2.85Å; C294-H297 PolarHBondContact O-N 3.27Å
295F90.2Very high74.9Confident130 Ų13081.8 Ų81.857%0.5738%0.38SS*.THydrogen-bonded Turntrans-63.118.9176.1-46.4-62.7000116.6F120 M121F120-F295 CarbonylContact C-O 3.59Å; F120-F295 WeakPolarHBondContact CA-O 3.36Å; F120-F295 HydrophobicContact CD2-CB 3.72Å; F120-F295 HydrophobicContact CD2-CD1 4.49Å; F120-F295 HydrophobicContact CD2-CD2 4.47Å; F120-F295 HydrophobicContact CD2-CG 4.01Å; F120-F295 HydrophobicContact CE2-CB 3.65Å; F120-F295 AromaticContact CE2-CD1 3.58Å; F120-F295 HydrophobicContact CE2-CD1 3.58Å; F120-F295 HydrophobicContact CE2-CD2 4.03Å; F120-F295 HydrophobicContact CE2-CE1 4.2Å; F120-F295 AromaticContact CE2-CG 3.48Å; F120-F295 HydrophobicContact CE2-CG 3.48Å; F120-F295 VanDerWaalsContact CE2-CG 3.48Å; F120-F295 HydrophobicContact CG-CB 4.34Å; F120-F295 HydrophobicContact CZ-CB 4.22Å; F120-F295 AromaticContact CZ-CD1 3.73Å; F120-F295 HydrophobicContact CZ-CD1 3.73Å; F120-F295 HydrophobicContact CZ-CE1 4.33Å; F120-F295 HydrophobicContact CZ-CG 4.08Å; M121-F295 PolarHBondContact N-O 3.26Å
296L90Very high73.7Confident26 Ų2679.9 Ų79.914%0.13638%0.376CS..THydrogen-bonded Turntrans-135.6-23.8-176.5-17259.4000114.3N119 C294 I650N119-L296 HydrophobicContact CB-CD1 4.14Å; C294-L296 PolarHBondContact O-N 2.85Å; L296-I650 HydrophobicContact CD1-CD1 3.69Å
297H87.3Confident72.6Confident24 Ų2480.1 Ų80.111%0.11138%0.377CS..THydrogen-bonded Turntrans-123.218.2-173.7-51.2124.1000113.7C286 R288 C294 D710C286-H297 PolarHBondContact SG-ND1 3.37Å; R288-H297 PolarHBondContact NE-CD2 3.41Å; R288-H297 PolarHBondContact NE-NE2 3.21Å; C294-H297 PolarHBondContact O-N 3.27Å; H297-D710 IonicContact CD2-OD1 3.45Å; H297-D710 IonicContact CE1-OD1 2.73Å; H297-D710 IonicContact CE1-OD2 3.2Å; H297-D710 IonicContact NE2-OD1 3.53Å; H297-D710 PolarHBondContact NE2-OD1 3.25Å; H297-D710 IonicContact NE2-OD2 3.36Å; H297-D710 PolarHBondContact NE2-OD2 2.94Å
298R71.8Confident71.8Confident121 Ų12179.4 Ų79.446%0.45738%0.384SS..  trans-68.7155.1165.7-168.6159.1164.5154-12.1109.8E123 D293E123-R298 VanDerWaalsContact CD-NE 3.34Å; E123-R298 IonicContact OE1-CZ 3.62Å; E123-R298 IonicContact OE1-NE 3.76Å; E123-R298 PolarHBondContact OE1-NE 3.12Å; E123-R298 IonicContact OE1-NH2 3.54Å; E123-R298 PolarHBondContact OE1-NH2 3.01Å; E123-R298 IonicContact OE2-CZ 3.62Å; E123-R298 IonicContact OE2-NE 3.16Å; E123-R298 PolarHBondContact OE2-NE 2.87Å; E123-R298 IonicContact OE2-NH2 2.75Å; E123-R298 PolarHBondContact OE2-NH2 2.88Å; D293-R298 IonicContact OD1-NH1 2.64Å
299K62.3Low71.2Confident78 Ų7879.3 Ų79.334%0.33939%0.387SS..  trans-125.4122.6-173.8-134.4-166.2-169.6176.80109.6N301 Y302 F304K299-N301 PolarHBondContact O-N 3.06Å; K299-Y302 WeakPolarHBondContact CB-O 3.23Å; K299-Y302 VanDerWaalsContact CD-O 3.23Å; K299-Y302 WeakPolarHBondContact CD-O 3.38Å; K299-F304 HydrophobicContact CB-CB 4.31Å; K299-F304 HydrophobicContact CD-CD2 3.91Å; K299-F304 HydrophobicContact CG-CD2 4.38Å
300C42.8Very low70.6Confident37 Ų3779.1 Ų79.125%0.2538%0.384CS..SBendtrans-74.550.3-177.5-45.50000113.7
301N35.9Very low69.9Low148 Ų14876.7 Ų76.779%0.79137%0.372SS*.SBendtrans174.2-18.6159.4-104-60.2000114.5K299K299-N301 PolarHBondContact O-N 3.06Å
302Y42.4Very low69.4Low187 Ų18777.4 Ų77.473%0.73338%0.375SS*.SBendtrans-146.1111.8178-75.9-77.3000111.4K299 F304K299-Y302 WeakPolarHBondContact CB-O 3.23Å; K299-Y302 VanDerWaalsContact CD-O 3.23Å; K299-Y302 WeakPolarHBondContact CD-O 3.38Å; Y302-F304 PolarHBondContact O-N 3.34Å; Y302-F304 VanDerWaalsContact O-N 3.13Å
303S40.9Very low68.4Low92 Ų9281.2 Ų81.264%0.64339%0.389SS*.  trans-45.2112.8-175-54.90000113.3H305S303-H305 VanDerWaalsContact CB-NE2 3.34Å; S303-H305 WeakPolarHBondContact CB-NE2 3.38Å; S303-H305 PolarHBondContact O-N 3.07Å
304F47.9Very low67.3Low72 Ų7282.3 Ų82.332%0.31639%0.389SS..  trans-79.560.5175.5-145.9-61.6000110.7K299 Y302 T307 Q526K299-F304 HydrophobicContact CB-CB 4.31Å; K299-F304 HydrophobicContact CD-CD2 3.91Å; K299-F304 HydrophobicContact CG-CD2 4.38Å; Y302-F304 PolarHBondContact O-N 3.34Å; Y302-F304 VanDerWaalsContact O-N 3.13Å; F304-T307 HydrophobicContact CE1-CG2 4.46Å; F304-Q526 HydrophobicContact CE2-CB 4.23Å; F304-Q526 HydrophobicContact CE2-CG 4.33Å
305H61.7Low65.9Low92 Ų9286.9 Ų86.943%0.42641%0.413SS..PPolyproline II helixtrans-55.5148.3162.8-61.7-53.8000109.3T283 S303 T307T283-H305 PolarHBondContact O-ND1 3.49Å; S303-H305 VanDerWaalsContact CB-NE2 3.34Å; S303-H305 WeakPolarHBondContact CB-NE2 3.38Å; S303-H305 PolarHBondContact O-N 3.07Å; H305-T307 PolarHBondContact O-N 3.43Å
306A62.3Low64.1Low21 Ų2185.1 Ų85.117%0.17441%0.413CS..PPolyproline II helixtrans-55.5127.2176.400000109.2T310 Y311A306-T310 HydrophobicContact CB-CG2 4.29Å; A306-Y311 HydrophobicContact CB-CD1 4.36Å
307T66.6Low62.2Low25 Ų2592.6 Ų92.615%0.15345%0.448CS..PPolyproline II helixtrans-54.8144.2-175.373.70000109.3F304 H305 N309 T310 D529F304-T307 HydrophobicContact CE1-CG2 4.46Å; H305-T307 PolarHBondContact O-N 3.43Å; T307-N309 PolarHBondContact O-N 2.84Å; T307-T310 VanDerWaalsContact O-CB 3.26Å; T307-T310 WeakPolarHBondContact O-CB 3.21Å; T307-T310 PolarHBondContact O-N 3.34Å; T307-T310 PolarHBondContact OG1-OG1 2.86Å; T307-D529 WeakPolarHBondContact CB-OD2 3.36Å; T307-D529 HydrophobicContact CG2-CB 4.09Å; T307-D529 PolarHBondContact OG1-OD2 3.21Å
308P71.7Confident60.4Low76 Ų7697.1 Ų97.149%0.49448%0.477SS..THydrogen-bonded Turntrans-58.3-13.2-170.8-29.937000115.8K312P308-K312 VanDerWaalsContact O-CD 3.31Å; P308-K312 WeakPolarHBondContact O-CD 3.15Å; P308-K312 WeakPolarHBondContact O-CE 3.22Å; P308-K312 WeakPolarHBondContact O-CG 3.42Å; P308-K312 PolarHBondContact O-NZ 3.06Å
309N77.8Confident59.4Low41 Ų4196 Ų9622%0.21949%0.493CS..THydrogen-bonded Turntrans-95.9-13.8174.4-50.7-46.6000113.6T307 Y311 K312 D529 P531 Q553T307-N309 PolarHBondContact O-N 2.84Å; N309-Y311 PolarHBondContact O-N 2.93Å; N309-K312 PolarHBondContact O-N 3.24Å; N309-K312 PolarHBondContact OD1-NZ 3.46Å; N309-D529 WeakPolarHBondContact CB-OD2 3.43Å; N309-D529 PolarHBondContact ND2-OD1 3.24Å; N309-D529 PolarHBondContact ND2-OD2 3.25Å; N309-D529 VanDerWaalsContact ND2-OD2 3.09Å; N309-P531 WeakPolarHBondContact ND2-CG 3.29Å; N309-Q553 HydrophobicContact CB-CG 4.38Å
310T80.6Confident59.3Low35 Ų3596.4 Ų96.422%0.21550%0.499CS..THydrogen-bonded Turntrans-66.1-33.4179.7-65.70000113.4R287 A306 T307 Q553R287-T310 HydrophobicContact CB-CG2 3.94Å; R287-T310 HydrophobicContact CG-CG2 3.88Å; A306-T310 HydrophobicContact CB-CG2 4.29Å; T307-T310 VanDerWaalsContact O-CB 3.26Å; T307-T310 WeakPolarHBondContact O-CB 3.21Å; T307-T310 PolarHBondContact O-N 3.34Å; T307-T310 PolarHBondContact OG1-OG1 2.86Å; T310-Q553 PolarHBondContact OG1-NE2 2.97Å
311Y78.9Confident59.8Low76 Ų7699.8 Ų99.830%0.29851%0.514SS..SBendtrans-96.4-7.1175.155.4-99.7000113.7E275 H282 A306 N309 R313E275-Y311 WeakPolarHBondContact OE1-CE2 3.24Å; E275-Y311 PolarHBondContact OE1-OH 2.94Å; H282-Y311 HydrophobicContact CB-CD1 3.96Å; H282-Y311 HydrophobicContact CB-CD2 4.46Å; H282-Y311 HydrophobicContact CB-CE1 3.89Å; H282-Y311 HydrophobicContact CB-CE2 4.41Å; H282-Y311 HydrophobicContact CB-CG 4.24Å; H282-Y311 AromaticContact CD2-CD2 3.87Å; H282-Y311 AromaticContact CD2-CG 3.85Å; H282-Y311 AromaticContact CE1-CD2 3.44Å; H282-Y311 VanDerWaalsContact CE1-CD2 3.44Å; H282-Y311 WeakPolarHBondContact CE1-CD2 3.44Å; H282-Y311 AromaticContact CE1-CE2 3.64Å; H282-Y311 AromaticContact CG-CD2 3.74Å; H282-Y311 AromaticContact CG-CE2 3.89Å; H282-Y311 AromaticContact CG-CG 3.83Å; H282-Y311 AromaticContact ND1-CD2 3.47Å; H282-Y311 WeakPolarHBondContact ND1-CD2 3.49Å; H282-Y311 AromaticContact ND1-CE2 3.33Å; H282-Y311 VanDerWaalsContact ND1-CE2 3.33Å; H282-Y311 WeakPolarHBondContact ND1-CE2 3.26Å; H282-Y311 AromaticContact ND1-CZ 3.81Å; H282-Y311 AromaticContact NE2-CD2 3.69Å; A306-Y311 HydrophobicContact CB-CD1 4.36Å; N309-Y311 PolarHBondContact O-N 2.93Å; Y311-R313 PolarHBondContact O-N 3.26Å
312K78.8Confident61Low124 Ų12498.6 Ų98.654%0.53951%0.508SS..  trans-77.3113.4171.7-69.3175.4-166.8157.20109.8P308 N309P308-K312 VanDerWaalsContact O-CD 3.31Å; P308-K312 WeakPolarHBondContact O-CD 3.15Å; P308-K312 WeakPolarHBondContact O-CE 3.22Å; P308-K312 WeakPolarHBondContact O-CG 3.42Å; P308-K312 PolarHBondContact O-NZ 3.06Å; N309-K312 PolarHBondContact O-N 3.24Å; N309-K312 PolarHBondContact OD1-NZ 3.46Å
313R70.5Confident62.3Low207 Ų20796.6 Ų96.678%0.78150%0.503SS*.  trans-85.6145.5171.7-171.4173.7174.7168-3.5110Y311Y311-R313 PolarHBondContact O-N 3.26Å
314K63.5Low64Low105 Ų10595.3 Ų95.346%0.45749%0.493SS..  trans-62.9143.9171.1-71.1-164.6167-153.20111.7T316 V490 T492K314-T316 PolarHBondContact O-N 3.26Å; K314-V490 PolarHBondContact NZ-O 3.39Å; K314-T492 PolarHBondContact NZ-O 3.11Å; K314-T492 PolarHBondContact NZ-OG1 2.84Å
315N60.7Low65.6Low107 Ų10795.4 Ų95.457%0.57250%0.502SS*.  trans-64.580.6165.5-59.8-0.1000109.3E317 Y453N315-E317 PolarHBondContact O-N 2.88Å; N315-Y453 WeakPolarHBondContact CA-OH 3.49Å; N315-Y453 HydrophobicContact CB-CE1 4.48Å; N315-Y453 WeakPolarHBondContact OD1-CE1 3.41Å; N315-Y453 PolarHBondContact OD1-OH 3.3Å
316T51.9Low66.6Low93 Ų9392.5 Ų92.557%0.57150%0.496SS*.  trans-84.4103.2165.1-49.60000107.3K314 T318K314-T316 PolarHBondContact O-N 3.26Å; T316-T318 PolarHBondContact O-N 3.01Å; T316-T318 PolarHBondContact O-OG1 3.16Å
317E49.5Very low67.4Low184 Ų18497.3 Ų97.386%0.8653%0.526SS*.  trans-53.3100.1173-69.2-179172.300109.5N315 A319N315-E317 PolarHBondContact O-N 2.88Å; E317-A319 PolarHBondContact O-N 3.42Å
318T49.7Very low68.2Low118 Ų118102 Ų10272%0.72455%0.546SS*.  trans-85.5105.5176.4-57.60000105.1T316 L320T316-T318 PolarHBondContact O-N 3.01Å; T316-T318 PolarHBondContact O-OG1 3.16Å; T318-L320 PolarHBondContact O-N 3Å
319A51.2Low68.8Low97 Ų9798.5 Ų98.580%0.80252%0.523SS*.  trans-44.8116.2-172.700000110.9E317 D321E317-A319 PolarHBondContact O-N 3.42Å; A319-D321 PolarHBondContact O-N 2.88Å
320L59.6Low69Low88 Ų8897.2 Ų97.246%0.46152%0.515SS..  trans-60.3123-178.3-77.3154.9000108.8T318 N322 N455T318-L320 PolarHBondContact O-N 3Å; L320-N322 PolarHBondContact O-N 3.49Å; L320-N322 VanDerWaalsContact O-N 3.11Å; L320-N455 HydrophobicContact CD2-CB 3.83Å
321D54.8Low68.9Low107 Ų10797 Ų9757%0.57251%0.512SS*.  trans-64.9115.4170-169.1-8.2000107.5A319 K323A319-D321 PolarHBondContact O-N 2.88Å; D321-K323 PolarHBondContact O-N 3.45Å; D321-K323 WeakPolarHBondContact OD1-CD 3.27Å; D321-K323 WeakPolarHBondContact OD1-CG 3.27Å; D321-K323 PolarHBondContact OD1-N 3.24Å
322N59.7Low69Low123 Ų12398.6 Ų98.666%0.65852%0.522SS*.  trans-74.55.2-171-85.3-49.8000113.7L320 Q331 K337L320-N322 PolarHBondContact O-N 3.49Å; L320-N322 VanDerWaalsContact O-N 3.11Å; N322-Q331 PolarHBondContact O-OE1 3.5Å; N322-Q331 VanDerWaalsContact O-OE1 3.04Å; N322-K337 PolarHBondContact O-NZ 3.47Å
323K70.4Confident68.8Low145 Ų14594.1 Ų94.163%0.6350%0.504SS*.SBendtrans-80.6140.7177.1-65.5170.2-170.3165.90111.4D321 Q331D321-K323 PolarHBondContact O-N 3.45Å; D321-K323 WeakPolarHBondContact OD1-CD 3.27Å; D321-K323 WeakPolarHBondContact OD1-CG 3.27Å; D321-K323 PolarHBondContact OD1-N 3.24Å; K323-Q331 PolarHBondContact O-NE2 3.01Å
324P76.1Confident68.6Low66 Ų6692.7 Ų92.743%0.42951%0.506SS..  trans-68.4137.917029.5-33.9000110.4G326 C329 H332P324-G326 PolarHBondContact O-N 3.05Å; P324-C329 HydrophobicContact CB-CB 3.88Å; P324-H332 VanDerWaalsContact CB-CE1 3.45Å; P324-H332 WeakPolarHBondContact CB-CE1 3.31Å
325C81.1Confident68.7Low74 Ų7488.8 Ų88.850%0.550%0.496SS..SBendtrans-78.2-1.2-177.8640000114.9C329 C457 C468C325-C329 PolarHBondContact N-SG 2.93Å; C325-C329 VanDerWaalsContact N-SG 3.45Å; C325-C329 PolarHBondContact SG-SG 3.24Å; C325-C457 HydrophobicContact CB-CB 3.91Å; C325-C457 VanDerWaalsContact SG-SG 3.65Å; C325-C468 WeakPolarHBondContact SG-CB 3.19Å
326G82.9Confident69Low30 Ų3083.8 Ų83.831%0.30947%0.469SS..SBendtrans160.7-174-176.300000111.8P324 Q328 C329 H332P324-G326 PolarHBondContact O-N 3.05Å; G326-Q328 VanDerWaalsContact C-N 3.32Å; G326-Q328 PolarHBondContact O-N 3.21Å; G326-C329 WeakPolarHBondContact O-CB 3.47Å; G326-C329 PolarHBondContact O-N 3.43Å; G326-H332 PolarHBondContact O-NE2 3.46Å
327P80.4Confident69.8Low123 Ų12383.3 Ų83.380%0.79946%0.459SS*.THydrogen-bonded Turntrans-69.2-28177.927.9-34.6000113C329 H332P327-C329 VanDerWaalsContact C-N 3.34Å; P327-C329 PolarHBondContact O-N 3.06Å; P327-H332 PolarHBondContact O-CD2 3.07Å
328Q81.5Confident70.8Confident122 Ų12281.3 Ų81.357%0.5745%0.45SS*.THydrogen-bonded Turntrans-97.938177.4-66173-29.700112.2G326 R469G326-Q328 VanDerWaalsContact C-N 3.32Å; G326-Q328 PolarHBondContact O-N 3.21Å; Q328-R469 PolarHBondContact O-N 3.35Å; Q328-R469 VanDerWaalsContact O-N 3.14Å
329C85Confident71.8Confident4 Ų478.4 Ų78.43%0.02743%0.427CS..  trans-84136.5177.1-167.50000111.1P324 C325 G326 P327 Q331 H332P324-C329 HydrophobicContact CB-CB 3.88Å; C325-C329 PolarHBondContact N-SG 2.93Å; C325-C329 VanDerWaalsContact N-SG 3.45Å; C325-C329 PolarHBondContact SG-SG 3.24Å; G326-C329 WeakPolarHBondContact O-CB 3.47Å; G326-C329 PolarHBondContact O-N 3.43Å; P327-C329 VanDerWaalsContact C-N 3.34Å; P327-C329 PolarHBondContact O-N 3.06Å; C329-Q331 PolarHBondContact O-N 2.76Å; C329-H332 PolarHBondContact O-CD2 3.23Å; C329-H332 PolarHBondContact O-N 3.23Å; C329-H332 VanDerWaalsContact O-N 3.1Å
330Y82.9Confident72.6Confident13 Ų1374 Ų745%0.05139%0.391CS..G310 helixtrans-56.6-21.7173.185.2-68.8000113.2H332 L333 A336 A340 F456 Y472Y330-H332 PolarHBondContact O-N 2.82Å; Y330-L333 WeakPolarHBondContact O-CB 3.45Å; Y330-L333 PolarHBondContact O-N 3.11Å; Y330-L333 VanDerWaalsContact O-N 3.16Å; Y330-A336 HydrophobicContact CD2-CB 4.26Å; Y330-A336 WeakPolarHBondContact O-CB 3.3Å; Y330-A340 HydrophobicContact CE2-CB 4.39Å; Y330-F456 HydrophobicContact CD1-CB 4.35Å; Y330-F456 HydrophobicContact CD1-CD2 4.29Å; Y330-F456 AromaticContact CD2-CD2 3.92Å; Y330-F456 HydrophobicContact CD2-CD2 3.92Å; Y330-F456 HydrophobicContact CD2-CE2 4.42Å; Y330-F456 HydrophobicContact CE1-CB 4.45Å; Y330-F456 HydrophobicContact CE1-CD2 4.14Å; Y330-F456 AromaticContact CE2-CD2 3.76Å; Y330-F456 HydrophobicContact CE2-CD2 3.76Å; Y330-F456 HydrophobicContact CE2-CE2 4.11Å; Y330-F456 HydrophobicContact CG-CD2 4.18Å; Y330-F456 AromaticContact CZ-CD2 3.88Å; Y330-Y472 AromaticContact CD2-CD2 3.65Å; Y330-Y472 HydrophobicContact CD2-CD2 3.65Å; Y330-Y472 HydrophobicContact CD2-CE2 4.14Å; Y330-Y472 HydrophobicContact CD2-CG 4.01Å; Y330-Y472 HydrophobicContact CE2-CD2 4.4Å; Y330-Y472 HydrophobicContact CG-CD2 4.31Å; Y330-Y472 HydrophobicContact CG-CG 4.25Å
331Q78.4Confident73.1Confident32 Ų3272.8 Ų72.815%0.1539%0.394CS..G310 helixtrans-67-13178.2-62.5-169.824.300114.3N322 K323 C329 K337N322-Q331 PolarHBondContact O-OE1 3.5Å; N322-Q331 VanDerWaalsContact O-OE1 3.04Å; K323-Q331 PolarHBondContact O-NE2 3.01Å; C329-Q331 PolarHBondContact O-N 2.76Å; Q331-K337 HydrophobicContact CG-CG 4.46Å
332H79.7Confident73.8Confident108 Ų10869.6 Ų69.650%0.538%0.382SS..G310 helixtrans-89.2-5.4174.9-53.6-55000113.2P324 G326 P327 C329 Y330P324-H332 VanDerWaalsContact CB-CE1 3.45Å; P324-H332 WeakPolarHBondContact CB-CE1 3.31Å; G326-H332 PolarHBondContact O-NE2 3.46Å; P327-H332 PolarHBondContact O-CD2 3.07Å; C329-H332 PolarHBondContact O-CD2 3.23Å; C329-H332 PolarHBondContact O-N 3.23Å; C329-H332 VanDerWaalsContact O-N 3.1Å; Y330-H332 PolarHBondContact O-N 2.82Å
333L74.8Confident74.2Confident30 Ų3065.1 Ų65.116%0.15736%0.358CS..SBendtrans-85.7130.7174.9-67.9168.9000110.2Y330 G335 A336 E430 R469 Y472Y330-L333 WeakPolarHBondContact O-CB 3.45Å; Y330-L333 PolarHBondContact O-N 3.11Å; Y330-L333 VanDerWaalsContact O-N 3.16Å; L333-G335 PolarHBondContact O-N 3.11Å; L333-A336 HydrophobicContact CB-CB 3.63Å; L333-A336 WeakPolarHBondContact O-CB 3.38Å; L333-A336 PolarHBondContact O-N 3.42Å; L333-E430 WeakPolarHBondContact CD2-OE2 3.06Å; L333-R469 HydrophobicContact CD1-CG 4.35Å; L333-Y472 HydrophobicContact CD1-CD1 4.14Å; L333-Y472 HydrophobicContact CD1-CE1 4.18Å
334E67Low73.9Confident177 Ų17759.6 Ų59.683%0.82734%0.337SS*.THydrogen-bonded Turntrans-59.1133.4177.3-63.5-171.5158.400111.4A336E334-A336 PolarHBondContact O-N 3.32Å; E334-A336 VanDerWaalsContact O-N 3.11Å
335G65.4Low73.4Confident24 Ų2458.4 Ų58.425%0.24733%0.332CS..THydrogen-bonded Turntrans70-6.4-177.400000116.1L333 K337 E338 F339L333-G335 PolarHBondContact O-N 3.11Å; G335-K337 PolarHBondContact O-N 3.28Å; G335-E338 WeakPolarHBondContact O-CB 3.28Å; G335-E338 PolarHBondContact O-N 2.99Å; G335-E338 VanDerWaalsContact O-N 3.1Å; G335-F339 PolarHBondContact O-N 3.06Å
336A67.9Low72.5Confident1 Ų161 Ų611%0.00834%0.337CS..Hα-helixtrans-69.5-31-171.400000114.6Y330 L333 E334 A340 Y472Y330-A336 HydrophobicContact CD2-CB 4.26Å; Y330-A336 WeakPolarHBondContact O-CB 3.3Å; L333-A336 HydrophobicContact CB-CB 3.63Å; L333-A336 WeakPolarHBondContact O-CB 3.38Å; L333-A336 PolarHBondContact O-N 3.42Å; E334-A336 PolarHBondContact O-N 3.32Å; E334-A336 VanDerWaalsContact O-N 3.11Å; A336-A340 VanDerWaalsContact O-CB 3.29Å; A336-A340 WeakPolarHBondContact O-CB 3.46Å; A336-A340 PolarHBondContact O-N 3.44Å; A336-A340 VanDerWaalsContact O-N 3.09Å; A336-Y472 WeakPolarHBondContact CA-OH 3.17Å; A336-Y472 HydrophobicContact CB-CE1 3.98Å; A336-Y472 HydrophobicContact CB-CE2 4.13Å
337K68.3Low71.3Confident84 Ų8464.7 Ų64.737%0.36534%0.342SS..Hα-helixtrans-65-41.4169.9-74.4-171.3176-175.20111.6N322 Q331 G335 A341N322-K337 PolarHBondContact O-NZ 3.47Å; Q331-K337 HydrophobicContact CG-CG 4.46Å; G335-K337 PolarHBondContact O-N 3.28Å; K337-A341 WeakPolarHBondContact O-CB 3.46Å; K337-A341 PolarHBondContact O-N 3.49Å; K337-A341 VanDerWaalsContact O-N 3.12Å
338E69.7Low70.2Confident142 Ų14263.2 Ų63.266%0.66433%0.326SS*.Hα-helixtrans-71.7-41.9-177.7-62.3169.4173.700110.9G335 A341 A342G335-E338 WeakPolarHBondContact O-CB 3.28Å; G335-E338 PolarHBondContact O-N 2.99Å; G335-E338 VanDerWaalsContact O-N 3.1Å; E338-A341 PolarHBondContact O-N 3.27Å; E338-A342 VanDerWaalsContact O-CB 3.27Å; E338-A342 WeakPolarHBondContact O-CB 3.34Å; E338-A342 PolarHBondContact O-N 2.93Å
339F70.4Confident68.6Low56 Ų5664.6 Ų64.625%0.24633%0.33CS..Hα-helixtrans-67.8-40.3176.8-168.2-115.6000112.5G335 A342 L343 P427 Y472 V476G335-F339 PolarHBondContact O-N 3.06Å; F339-A342 PolarHBondContact O-N 3.38Å; F339-L343 HydrophobicContact CD1-CD1 3.89Å; F339-L343 HydrophobicContact CD1-CG 4.25Å; F339-L343 HydrophobicContact CE1-CD1 3.59Å; F339-L343 HydrophobicContact CE1-CD2 4.3Å; F339-L343 HydrophobicContact CE1-CG 3.98Å; F339-L343 HydrophobicContact CE2-CD2 4.42Å; F339-L343 HydrophobicContact CE2-CG 4.39Å; F339-L343 HydrophobicContact CZ-CD1 4.13Å; F339-L343 HydrophobicContact CZ-CD2 3.98Å; F339-L343 HydrophobicContact CZ-CG 4.05Å; F339-L343 WeakPolarHBondContact O-CB 3.48Å; F339-L343 WeakPolarHBondContact O-CG 3.5Å; F339-L343 PolarHBondContact O-N 3.23Å; F339-P427 HydrophobicContact CB-CB 4.27Å; F339-P427 HydrophobicContact CB-CG 3.73Å; F339-P427 HydrophobicContact CD2-CG 3.35Å; F339-P427 HydrophobicContact CE2-CG 4.07Å; F339-P427 HydrophobicContact CG-CG 3.64Å; F339-Y472 WeakPolarHBondContact CD1-OH 3.47Å; F339-V476 HydrophobicContact CD1-CG2 4.19Å; F339-V476 HydrophobicContact CE1-CG1 4.05Å; F339-V476 HydrophobicContact CE1-CG2 3.86Å
340A68.5Low66.5Low5 Ų568.2 Ų68.24%0.04135%0.352CS..Hα-helixtrans-59.4-46.8172.500000111.8Y330 A336 T344 F456 Y472Y330-A340 HydrophobicContact CE2-CB 4.39Å; A336-A340 VanDerWaalsContact O-CB 3.29Å; A336-A340 WeakPolarHBondContact O-CB 3.46Å; A336-A340 PolarHBondContact O-N 3.44Å; A336-A340 VanDerWaalsContact O-N 3.09Å; A340-T344 PolarHBondContact O-N 3.19Å; A340-F456 HydrophobicContact CB-CE2 3.85Å; A340-F456 HydrophobicContact CB-CZ 4.47Å; A340-Y472 HydrophobicContact CB-CE2 4.34Å
341A70.2Confident64.2Low63 Ų6373 Ų7352%0.52139%0.385SS..Hα-helixtrans-63.9-40.2175.700000112.1K337 E338 T344 A345K337-A341 WeakPolarHBondContact O-CB 3.46Å; K337-A341 PolarHBondContact O-N 3.49Å; K337-A341 VanDerWaalsContact O-N 3.12Å; E338-A341 PolarHBondContact O-N 3.27Å; A341-T344 PolarHBondContact O-N 2.88Å; A341-A345 VanDerWaalsContact O-CB 3.23Å; A341-A345 WeakPolarHBondContact O-CB 3.48Å; A341-A345 PolarHBondContact O-N 2.89Å
342A70.1Confident61.8Low40 Ų4077.3 Ų77.333%0.33142%0.416SS..Hα-helixtrans-63.6-49.5177.500000112.2E338 F339 T344 A345 E346E338-A342 VanDerWaalsContact O-CB 3.27Å; E338-A342 WeakPolarHBondContact O-CB 3.34Å; E338-A342 PolarHBondContact O-N 2.93Å; F339-A342 PolarHBondContact O-N 3.38Å; A342-T344 PolarHBondContact O-N 3.37Å; A342-A345 PolarHBondContact O-N 3.46Å; A342-E346 WeakPolarHBondContact O-CB 3.31Å; A342-E346 WeakPolarHBondContact O-CG 3.46Å; A342-E346 PolarHBondContact O-N 2.86Å
343L67.3Low59.4Low28 Ų2882 Ų8215%0.14744%0.435CS..Hα-helixtrans-55.4-39178.7-77.5176.8000112.6F339 R347F339-L343 HydrophobicContact CD1-CD1 3.89Å; F339-L343 HydrophobicContact CD1-CG 4.25Å; F339-L343 HydrophobicContact CE1-CD1 3.59Å; F339-L343 HydrophobicContact CE1-CD2 4.3Å; F339-L343 HydrophobicContact CE1-CG 3.98Å; F339-L343 HydrophobicContact CE2-CD2 4.42Å; F339-L343 HydrophobicContact CE2-CG 4.39Å; F339-L343 HydrophobicContact CZ-CD1 4.13Å; F339-L343 HydrophobicContact CZ-CD2 3.98Å; F339-L343 HydrophobicContact CZ-CG 4.05Å; F339-L343 WeakPolarHBondContact O-CB 3.48Å; F339-L343 WeakPolarHBondContact O-CG 3.5Å; F339-L343 PolarHBondContact O-N 3.23Å; L343-R347 WeakPolarHBondContact O-CB 3.37Å; L343-R347 PolarHBondContact O-N 2.99Å; L343-R347 VanDerWaalsContact O-N 3.11Å
344T64.8Low57.2Low30 Ų3091.7 Ų91.718%0.18447%0.469CS..Hα-helixtrans-83.4-33.7178.5-76.90000112.6A340 A341 A342 E346 R347 I348 D454 R475A340-T344 PolarHBondContact O-N 3.19Å; A341-T344 PolarHBondContact O-N 2.88Å; A342-T344 PolarHBondContact O-N 3.37Å; T344-E346 VanDerWaalsContact C-N 3.3Å; T344-E346 PolarHBondContact O-N 2.89Å; T344-R347 PolarHBondContact O-N 3.3Å; T344-I348 HydrophobicContact CG2-CD1 3.92Å; T344-I348 WeakPolarHBondContact O-CD1 3.2Å; T344-I348 VanDerWaalsContact O-CG1 3.27Å; T344-I348 WeakPolarHBondContact O-CG1 3.26Å; T344-I348 PolarHBondContact O-N 2.57Å; T344-D454 WeakPolarHBondContact CB-OD2 3.49Å; T344-D454 VanDerWaalsContact OG1-CG 3.25Å; T344-D454 PolarHBondContact OG1-OD1 3.34Å; T344-D454 PolarHBondContact OG1-OD2 3.29Å; T344-R475 PolarHBondContact OG1-NH2 3.1Å
345A65.6Low55.4Low41 Ų4189.3 Ų89.334%0.33947%0.469SS..Hα-helixtrans-63.8-34.7169.900000112.3A341 A342 K349A341-A345 VanDerWaalsContact O-CB 3.23Å; A341-A345 WeakPolarHBondContact O-CB 3.48Å; A341-A345 PolarHBondContact O-N 2.89Å; A342-A345 PolarHBondContact O-N 3.46Å; A345-K349 WeakPolarHBondContact O-CD 3.48Å; A345-K349 VanDerWaalsContact O-CG 3.24Å; A345-K349 WeakPolarHBondContact O-CG 3.39Å; A345-K349 PolarHBondContact O-N 2.76Å
346E61.1Low53.6Low127 Ų12792 Ų9259%0.59350%0.496SS*.Hα-helixtrans-70-38.8171.6-72.3-173.515900112A342 T344 I348 K349A342-E346 WeakPolarHBondContact O-CB 3.31Å; A342-E346 WeakPolarHBondContact O-CG 3.46Å; A342-E346 PolarHBondContact O-N 2.86Å; T344-E346 VanDerWaalsContact C-N 3.3Å; T344-E346 PolarHBondContact O-N 2.89Å; E346-I348 VanDerWaalsContact C-N 3.3Å; E346-I348 PolarHBondContact O-N 3.39Å; E346-K349 PolarHBondContact O-N 2.73Å
347R58.3Low51.6Low108 Ų10895 Ų9541%0.40853%0.528SS..Hα-helixtrans-64.3-31.4173.2-169179.7-177-1763.6113.5L343 T344L343-R347 WeakPolarHBondContact O-CB 3.37Å; L343-R347 PolarHBondContact O-N 2.99Å; L343-R347 VanDerWaalsContact O-N 3.11Å; T344-R347 PolarHBondContact O-N 3.3Å
348I57.8Low49.8Very low93 Ų93103.1 Ų103.148%0.47756%0.556SS.*Hα-helixtrans-76-29.7176.6-70.1163.9000111.6T344 E346 T350T344-I348 HydrophobicContact CG2-CD1 3.92Å; T344-I348 WeakPolarHBondContact O-CD1 3.2Å; T344-I348 VanDerWaalsContact O-CG1 3.27Å; T344-I348 WeakPolarHBondContact O-CG1 3.26Å; T344-I348 PolarHBondContact O-N 2.57Å; E346-I348 VanDerWaalsContact C-N 3.3Å; E346-I348 PolarHBondContact O-N 3.39Å; I348-T350 VanDerWaalsContact C-N 3.3Å; I348-T350 PolarHBondContact O-N 2.6Å
349K48.4Very low47.9Very low150 Ų150108 Ų10865%0.65257%0.568SS**  trans-72.277.2177.2-72.6164.8-168.81680112.2A345 E346A345-K349 WeakPolarHBondContact O-CD 3.48Å; A345-K349 VanDerWaalsContact O-CG 3.24Å; A345-K349 WeakPolarHBondContact O-CG 3.39Å; A345-K349 PolarHBondContact O-N 2.76Å; E346-K349 PolarHBondContact O-N 2.73Å
350T40.5Very low45.9Very low80 Ų80117.7 Ų117.749%0.49160%0.603SS.*PPolyproline II helixtrans-64.6139.6163.250.30000110.5I348I348-T350 VanDerWaalsContact C-N 3.3Å; I348-T350 PolarHBondContact O-N 2.6Å
351P33.3Very low43.9Very low114 Ų114121 Ų12174%0.7464%0.638SS**PPolyproline II helixtrans-65.9131.1177.9-20.732.4000111K353P351-K353 PolarHBondContact O-N 3.29Å; P351-K353 VanDerWaalsContact O-N 3.17Å
352P28.8Very low41.9Very low122 Ų122129.7 Ų129.779%0.79266%0.658SS**PPolyproline II helixtrans-64.8120.117526.1-33.1000109.7R354P352-R354 PolarHBondContact O-N 3.45Å
353K30.3Very low39.9Very low207 Ų207135.7 Ų135.790%0.968%0.683SS**  trans-58.4110.1170.3-82.5-175.4175.3177.10108.6P351P351-K353 PolarHBondContact O-N 3.29Å; P351-K353 VanDerWaalsContact O-N 3.17Å
354R28.2Very low38.2Very low234 Ų234140 Ų14088%0.88371%0.713SS**  trans-52.4132.5172.8-72.9179.1172.3169.9-2.7109.4P352 G356P352-R354 PolarHBondContact O-N 3.45Å; R354-G356 PolarHBondContact O-N 3.11Å
355P28.6Very low36.3Very low126 Ų126145.8 Ų145.882%0.81874%0.743SS**  trans-55.1132.3164.4-23.434000109.6G357P355-G357 VanDerWaalsContact C-N 3.3Å; P355-G357 PolarHBondContact O-N 2.72Å
356G27Very low34.4Very low80 Ų80150.2 Ų150.283%0.82576%0.761SS**  trans-69.681.2-177.800000112.3R354 R358R354-G356 PolarHBondContact O-N 3.11Å; G356-R358 PolarHBondContact O-N 3.5Å
357G26.8Very low32.8Very low65 Ų65149 Ų14967%0.6777%0.766SS**  trans-59.5116.4177.100000111.3P355 R359P355-G357 VanDerWaalsContact C-N 3.3Å; P355-G357 PolarHBondContact O-N 2.72Å; G357-R359 PolarHBondContact O-N 3.42Å
358R31.1Very low31.4Very low254 Ų254149.4 Ų149.496%0.95879%0.786SS**  trans-59.199.5-179.3-68.4176.9175.2172-2.7111.2G356G356-R358 PolarHBondContact O-N 3.5Å
359R29.3Very low29.9Very low244 Ų244156.1 Ų156.192%0.92181%0.805SS**  trans-94.1127.1161.6-76.7-170.6170.3-168.7-3.5109.4G357 G361G357-R359 PolarHBondContact O-N 3.42Å; R359-G361 PolarHBondContact O-N 2.73Å; R359-G361 VanDerWaalsContact O-N 3.14Å
360R28.9Very low29.2Very low260 Ų260154.3 Ų154.398%0.98181%0.809SS**  trans-68104.9177.6-73174.2168.2164.8-5.7109.7
361G26.6Very low28.5Very low75 Ų75154.7 Ų154.777%0.77382%0.815SS**  trans-86.2133.1163.500000110.1R359R359-G361 PolarHBondContact O-N 2.73Å; R359-G361 VanDerWaalsContact O-N 3.14Å
362R26.5Very low28.2Very low246 Ų246154.9 Ų154.993%0.92881%0.814SS**  trans-94.9125.5-179.8-166.1-173.6-161-174.46.7109.1
363L29.5Very low28.4Very low165 Ų165155.1 Ų155.186%0.86482%0.815SS**  trans-120.2147168.3-75.8171.1000109.5
364P30.2Very low28.2Very low120 Ų120151.1 Ų151.178%0.77981%0.809SS**  trans-84.5165-179.234.2-34.9000113.6
365N25.3Very low28.1Very low150 Ų150147.2 Ų147.280%0.80280%0.804SS**  trans-57163.7169.3-791.6000111.8
366N27.2Very low27.9Very low135 Ų135147.7 Ų147.772%0.72280%0.799SS**  cis-166.5158.342.4-152.815000114.6
367S26.6Very low27.8Very low101 Ų101150.1 Ų150.171%0.70680%0.798SS**  trans59.1145.9157.355.40000119.1
368S27.9Very low28Very low117 Ų117153.4 Ų153.482%0.81880%0.799SS**  cis-142.2167.517.7-65.10000113.7
369R26.5Very low27.9Very low233 Ų233149.8 Ų149.888%0.87979%0.793SS**  trans-108.1-175.2172.4-121.6-170.3-178.9-178.40.8110.4
370P34.4Very low27.9Very low112 Ų112142.9 Ų142.973%0.72778%0.782SS**  cis-117.2-150.921.344.4-28.8000112.3
371S25.9Very low27.9Very low89 Ų89138.6 Ų138.662%0.62277%0.771SS**  cis-153.3139.1-0.5-122.40000108
372T26.2Very low28Very low117 Ų117140.1 Ų140.172%0.71876%0.761SS**  60.114482.4720000116.6
373P32.8Very low28.2Very low127 Ų127134.8 Ų134.883%0.82576%0.756SS**  cis-126.5-17518.941.3-25.3000117.3
374T26.4Very low28.2Very low124 Ų124133.5 Ų133.576%0.76175%0.75SS**  trans-137164.6-168.444.70000112.3
375I25.8Very low28.4Very low152 Ų152132.4 Ų132.478%0.77975%0.745SS**  trans-164.3117.7153.5-104.3150.1000106.5
376N25.6Very low28.7Very low136 Ų136130.8 Ų130.873%0.72774%0.736SS**  69.5143.183.7-56.81.3000112.1
377V25.4Very low29Very low130 Ų130133.2 Ų133.279%0.78874%0.736SS**  cis-146.8139.522.71770000106.8
378L29.9Very low29.2Very low135 Ų135136.6 Ų136.671%0.70774%0.74SS**  83.812057.9-106.2170.7000117
379E28.7Very low29.3Very low178 Ų178136.1 Ų136.183%0.83274%0.743SS**  trans65.5159152.5-91.2162.2-155.500121.8
380S30Very low29.4Very low98 Ų98128.5 Ų128.569%0.68574%0.738SS**  cis-160.1168.7346.70000114.3
381K28.6Very low29.2Very low171 Ų171129.6 Ų129.674%0.74374%0.742SS**  trans25.6157.1139.4-68.4-179.3153.7-87.90122.3
382D27.9Very low29.4Very low106 Ų106134.3 Ų134.357%0.56775%0.754SS**  cis-170.7178.9-6.1-99.6-14.5000109.6
383T31Very low29.6Very low134 Ų134134.8 Ų134.882%0.82276%0.757SS**  trans67.5150.916047.70000119.3
384D30Very low29.4Very low139 Ų139132.8 Ų132.874%0.74376%0.76SS**  cis-169179.7-24.3-136.7-112000107.1
385S35.4Very low29.6Very low97 Ų97130.6 Ų130.668%0.67876%0.762SS**  cis-141.7-148.42.3-62.50000107.6
386D30.8Very low29.8Very low115 Ų115131.5 Ų131.562%0.61576%0.763SS**  cis-161.5170.5-3.8-160.911.3000110.7
387R32.4Very low30.1Very low187 Ų187131 Ų13171%0.70676%0.761SS**  trans44.9147.7145.2-87.4-173171.381.42.3124.2
388E32Very low30.3Very low172 Ų172131.6 Ų131.680%0.80476%0.759SS**  cis-135.1-173.4-1.1-67.6-139.7126.300111.7
389A30.2Very low30.6Very low106 Ų106130.7 Ų130.788%0.87676%0.755SS**  trans-127.2169.6-178.500000113.2
390G28.7Very low30.8Very low74 Ų74129.5 Ų129.576%0.76375%0.747SS**  trans172134.9170.300000113.9
391T30.1Very low30.8Very low135 Ų135133.3 Ų133.383%0.82875%0.754SS**  trans-140.8127.9-171.1-50.10000111.8
392E28.7Very low30.7Very low187 Ų187134.8 Ų134.887%0.87476%0.764SS**  trans-156.3173159.1-72.9-158.8178.700110.2
393T31.3Very low30.9Very low127 Ų127138.3 Ų138.378%0.77978%0.777SS**  -160.2149.2-90.921.10000111.4
394G28.2Very low30.9Very low86 Ų86138.5 Ų138.589%0.88777%0.768SS**  trans86.7154.116900000116.8
395G30.1Very low31Very low78 Ų78139.6 Ų139.680%0.80477%0.767SS**  cis-164.6165.5-1.900000113
396E31.8Very low30.5Very low170 Ų170144.8 Ų144.879%0.79478%0.777SS**  trans-89.3166.3-162.2-41.7126.6142.800115.4
397N30.5Very low30.3Very low127 Ų127146.5 Ų146.568%0.67979%0.786SS**  169.5155.5104-94.8-65.2000118
398N30.6Very low30Very low141 Ų141145.8 Ų145.875%0.75479%0.791SS**  trans111.992.1155.3-62.3-22.1000119.6
399D34.8Very low29.8Very low117 Ų117143 Ų14363%0.62679%0.786SS**  31.1147.5107.3-67.414.2000120.9
400K33.7Very low29.5Very low152 Ų152143.4 Ų143.466%0.66178%0.782SS**  cis-161.3140.8-5-106.2164.3180136.60107.6
401E30.8Very low29.3Very low178 Ų178145.4 Ų145.483%0.83278%0.784SS**  54.7123.286.7-65.3-168.7152.900118
402E26.5Very low29.2Very low202 Ų202144 Ų14494%0.94478%0.78SS**  trans-161.2157.9140.3-127.7173.2-152.100110.9
403E30.4Very low29.2Very low181 Ų181139.8 Ų139.885%0.84677%0.771SS**  trans-131.8-179.6-169.3-87.7-153.5124.400114.2
404E32.1Very low29Very low137 Ų137142.4 Ų142.464%0.6477%0.774SS**  trans103.7104.7154.4-63.4-103.2104.300120.9
405K31.1Very low28.9Very low163 Ų163143.3 Ų143.371%0.70977%0.774SS**  42.7130.7126.5-62.3173.9-174.2142.90121.9
406K26.3Very low28.8Very low205 Ų205146.1 Ų146.189%0.89177%0.77SS**  -167.3155.2100.3-108.3175.8-178.2177.70114.7
407D26.2Very low28.8Very low151 Ų151143.3 Ų143.381%0.80777%0.77SS**  trans-80.3160.9171.9-51.2-89.1000113.2
408E26.5Very low28.8Very low173 Ų173147.8 Ų147.881%0.80878%0.777SS**  trans-159.9172.5142.4-107.7-59.9169.300109.4
409T26.6Very low28.7Very low114 Ų114146.8 Ų146.870%0.69978%0.78SS**  trans-116.4164.8-149.353.80000117.7
410S25.4Very low28.3Very low113 Ų113149.9 Ų149.979%0.7979%0.79SS**  trans100.6109.8145.778.10000121.9
411S24.1Very low28.1Very low117 Ų117148.2 Ų148.282%0.81879%0.793SS**  trans31.4125.5132.9-164.50000122.6
412S26.8Very low28.2Very low106 Ų106145.7 Ų145.774%0.74179%0.792SS**  -167.1126.7114.153.30000115.4
413S28.6Very low28.2Very low98 Ų98142.6 Ų142.669%0.68578%0.781SS**  trans47.311514662.20000123.1
414E27.3Very low28.4Very low181 Ų181143.6 Ų143.685%0.84678%0.782SS**  52.696.7121.6-62.7-7310400119.8
415A26.6Very low28.4Very low105 Ų105144.4 Ų144.487%0.86879%0.788SS**  trans-127.1113.3154.700000109.8S417A415-S417 PolarHBondContact O-N 2.99Å
416N27.8Very low28.8Very low137 Ų137145.5 Ų145.573%0.73379%0.793SS**  trans-76.4118.3-160.2-161.3-30.2000113.2R418N416-R418 PolarHBondContact O-N 2.82Å
417S32.2Very low29.7Very low112 Ų112137.5 Ų137.578%0.78376%0.761SS**  trans-77.8113.5175.5-175.90000111A415A415-S417 PolarHBondContact O-N 2.99Å
418R30.2Very low30.6Very low220 Ų220133.5 Ų133.583%0.8374%0.74SS**  trans-136.9109.4175.9-130.7174.7-171.81724.1112.3N416 Q420N416-R418 PolarHBondContact O-N 2.82Å; R418-Q420 PolarHBondContact O-N 2.66Å
419C28.2Very low31.8Very low121 Ų121132.7 Ų132.782%0.81874%0.74SS**PPolyproline II helixtrans-55.7127.2171.4-55.70000110.2T421C419-T421 PolarHBondContact O-N 2.78Å
420Q28Very low33.1Very low181 Ų181131.9 Ų131.985%0.84673%0.728SS**PPolyproline II helixtrans-70.7123.5170-69.7-173-2.400109.5R418R418-Q420 PolarHBondContact O-N 2.66Å
421T28.6Very low34.7Very low118 Ų118131.7 Ų131.772%0.72472%0.724SS**PPolyproline II helixtrans-68.3154.2167420000110.1C419 I423C419-T421 PolarHBondContact O-N 2.78Å; T421-I423 PolarHBondContact O-N 3.23Å
422P32.3Very low36.4Very low124 Ų124129.4 Ų129.481%0.80571%0.707SS**PPolyproline II helixtrans-61.2122.4176.725.6-34000110.1K424P422-K424 PolarHBondContact O-N 3.05Å; P422-K424 VanDerWaalsContact O-N 3.15Å
423I28Very low38.1Very low137 Ų137129.2 Ų129.270%0.70369%0.694SS**  trans-66.1113.9-178.8-60.5174.6000108.8T421 M425T421-I423 PolarHBondContact O-N 3.23Å; I423-M425 VanDerWaalsContact C-N 3.26Å; I423-M425 HydrophobicContact CG2-CG 3.9Å; I423-M425 PolarHBondContact O-N 3.39Å
424K33.2Very low40Very low202 Ų202132 Ų13288%0.87870%0.701SS**  trans-69.683.4165.8-81.6-172.3173.2-178.90109.6P422P422-K424 PolarHBondContact O-N 3.05Å; P422-K424 VanDerWaalsContact O-N 3.15Å
425M31.9Very low42.7Very low154 Ų154125 Ų12576%0.75967%0.67SS**  trans-64.9133.4165.3-60.8-169.278.400108.9I423 P427I423-M425 VanDerWaalsContact C-N 3.26Å; I423-M425 HydrophobicContact CG2-CG 3.9Å; I423-M425 PolarHBondContact O-N 3.39Å; M425-P427 VanDerWaalsContact C-CD 3.45Å; M425-P427 VanDerWaalsContact O-CD 3.27Å; M425-P427 WeakPolarHBondContact O-CD 3.47Å
426K39.5Very low45.6Very low187 Ų187128.3 Ų128.381%0.81367%0.668SS**  trans-111.681174.2-81.1-173.4168.6-172.30110.1N428K426-N428 PolarHBondContact O-N 3.28Å
427P45.2Very low48.6Very low36 Ų36124 Ų12423%0.23464%0.641CS.*  trans-81.560.1177.135.6-36.8000111.6F339 M425F339-P427 HydrophobicContact CB-CB 4.27Å; F339-P427 HydrophobicContact CB-CG 3.73Å; F339-P427 HydrophobicContact CD2-CG 3.35Å; F339-P427 HydrophobicContact CE2-CG 4.07Å; F339-P427 HydrophobicContact CG-CG 3.64Å; M425-P427 VanDerWaalsContact C-CD 3.45Å; M425-P427 VanDerWaalsContact O-CD 3.27Å; M425-P427 WeakPolarHBondContact O-CD 3.47Å
428N46.6Very low51.5Low67 Ų67121.2 Ų121.236%0.35862%0.622SS.*  trans-160.191.5161-149.156000109K426 E430K426-N428 PolarHBondContact O-N 3.28Å; N428-E430 PolarHBondContact ND2-O 2.75Å
429I50Low54.4Low157 Ų157111.5 Ų111.581%0.80559%0.591SS**  trans-86.5-32.5-179.6-67175.8000111.1
430E54.5Low57.5Low96 Ų96106.9 Ų106.945%0.44956%0.561SS.*SBendtrans-77.5139170.1-64.9-169.4136.100111L333 N428 R469L333-E430 WeakPolarHBondContact CD2-OE2 3.06Å; N428-E430 PolarHBondContact ND2-O 2.75Å; E430-R469 IonicContact OE2-CZ 2.73Å; E430-R469 IonicContact OE2-NH1 2.77Å; E430-R469 PolarHBondContact OE2-NH1 2.72Å; E430-R469 IonicContact OE2-NH2 3.75Å; E430-R469 PolarHBondContact OE2-NH2 3.18Å
431P58.6Low60.7Low109 Ų10999.7 Ų99.771%0.70853%0.527SS*.PPolyproline II helixtrans-65.7142.9167.829.6-33.6000109.9
432P60.7Low63.7Low70 Ų7094.2 Ų94.246%0.45550%0.495SS..PPolyproline II helixtrans-64.9146.2175.828.7-34.7000110.9E473P432-E473 WeakPolarHBondContact CA-OE2 3.48Å; P432-E473 HydrophobicContact CB-CB 4.24Å; P432-E473 HydrophobicContact CB-CG 4.25Å
433E61.8Low66.6Low101 Ų10188.5 Ų88.547%0.47246%0.457SS..PPolyproline II helixtrans-65.3134.9-180-162.7177.1-129.900109.5V435 Q470 E473E433-V435 HydrophobicContact CB-CG2 3.92Å; E433-V435 HydrophobicContact CG-CG2 3.72Å; E433-V435 PolarHBondContact O-N 3.26Å; E433-V435 WeakPolarHBondContact OE2-CG2 3.31Å; E433-Q470 PolarHBondContact OE2-NE2 2.94Å; E433-E473 PolarHBondContact N-OE2 3.16Å
434N68.6Low69.8Low158 Ų15885.2 Ų85.285%0.84544%0.44SS*.  trans-79.467-175.5-166.829.3000111.8
435V83.9Confident72.7Confident32 Ų3275.6 Ų75.619%0.19440%0.398CS..  trans-96.1125.8-176.5179.70000110E433 K466 Q470E433-V435 HydrophobicContact CB-CG2 3.92Å; E433-V435 HydrophobicContact CG-CG2 3.72Å; E433-V435 PolarHBondContact O-N 3.26Å; E433-V435 WeakPolarHBondContact OE2-CG2 3.31Å; V435-K466 HydrophobicContact CG1-CD 4.05Å; V435-Q470 HydrophobicContact CG2-CG 4.12Å
436E87.1Confident75.5Confident175 Ų17569.7 Ų69.782%0.81837%0.367SS*.  trans-72.9146.5171.5-62.6-170.8160.100111.6K466E436-K466 VanDerWaalsContact O-CE 3.29Å; E436-K466 WeakPolarHBondContact O-CE 3.27Å; E436-K466 PolarHBondContact O-NZ 3.48Å
437W91.8Very high78Confident46 Ų4661.8 Ų61.817%0.17434%0.335CS..  trans-124.7121.8179.3-79.470.9000109.3E441 F445 I463 K466 V471 F474W437-E441 WeakPolarHBondContact CA-OE2 3.38Å; W437-E441 HydrophobicContact CE3-CB 3.67Å; W437-E441 HydrophobicContact CZ3-CB 4.12Å; W437-F445 HydrophobicContact CH2-CD2 4.39Å; W437-F445 HydrophobicContact CZ3-CB 3.91Å; W437-F445 HydrophobicContact CZ3-CG 4.4Å; W437-I463 HydrophobicContact CH2-CD1 4.31Å; W437-I463 HydrophobicContact CZ3-CD1 4.19Å; W437-K466 HydrophobicContact CH2-CB 4.16Å; W437-K466 HydrophobicContact CH2-CD 4.49Å; W437-K466 HydrophobicContact CH2-CG 3.81Å; W437-K466 HydrophobicContact CZ2-CB 4.27Å; W437-K466 HydrophobicContact CZ2-CD 4.07Å; W437-K466 HydrophobicContact CZ2-CG 3.86Å; W437-K466 HydrophobicContact CZ3-CG 4.15Å; W437-V471 HydrophobicContact CH2-CG2 4.14Å; W437-F474 HydrophobicContact CB-CE2 4Å; W437-F474 HydrophobicContact CB-CZ 4.49Å; W437-F474 AromaticContact CD1-CD2 3.64Å; W437-F474 AromaticContact CD1-CE2 3.96Å; W437-F474 HydrophobicContact CD2-CB 4.41Å; W437-F474 HydrophobicContact CD2-CD1 4.18Å; W437-F474 AromaticContact CD2-CD2 3.57Å; W437-F474 HydrophobicContact CD2-CD2 3.57Å; W437-F474 HydrophobicContact CD2-CE1 4.35Å; W437-F474 AromaticContact CD2-CE2 3.78Å; W437-F474 HydrophobicContact CD2-CE2 3.78Å; W437-F474 AromaticContact CD2-CG 3.79Å; W437-F474 HydrophobicContact CD2-CG 3.79Å; W437-F474 HydrophobicContact CD2-CZ 4.17Å; W437-F474 AromaticContact CE2-CD2 3.53Å; W437-F474 AromaticContact CE2-CG 3.53Å; W437-F474 HydrophobicContact CE3-CD1 4.05Å; W437-F474 HydrophobicContact CE3-CD2 4.24Å; W437-F474 HydrophobicContact CE3-CE1 4.08Å; W437-F474 HydrophobicContact CE3-CE2 4.27Å; W437-F474 HydrophobicContact CE3-CG 4.13Å; W437-F474 HydrophobicContact CE3-CZ 4.19Å; W437-F474 AromaticContact CG-CD2 3.67Å; W437-F474 HydrophobicContact CG-CD2 3.67Å; W437-F474 AromaticContact CG-CE2 3.63Å; W437-F474 HydrophobicContact CG-CE2 3.63Å; W437-F474 HydrophobicContact CG-CG 4.38Å; W437-F474 HydrophobicContact CG-CZ 4.31Å; W437-F474 HydrophobicContact CH2-CB 3.97Å; W437-F474 HydrophobicContact CH2-CD1 4.06Å; W437-F474 HydrophobicContact CH2-CG 4.02Å; W437-F474 HydrophobicContact CZ2-CB 3.39Å; W437-F474 HydrophobicContact CZ2-CD1 4.19Å; W437-F474 HydrophobicContact CZ2-CD2 4.16Å; W437-F474 AromaticContact CZ2-CG 3.67Å; W437-F474 HydrophobicContact CZ2-CG 3.67Å; W437-F474 AromaticContact CZ3-CD1 4Å; W437-F474 HydrophobicContact CZ3-CD1 4Å; W437-F474 HydrophobicContact CZ3-CE1 4.33Å; W437-F474 HydrophobicContact CZ3-CG 4.25Å; W437-F474 AromaticContact NE1-CD2 3.54Å; W437-F474 AromaticContact NE1-CG 3.95Å
438S93.4Very high80.2Confident55 Ų5560.8 Ų60.839%0.38533%0.327SS..  trans-69.6162.3176.781.10000111.5A440 E441 A442S438-A440 PolarHBondContact O-N 3.33Å; S438-A440 PolarHBondContact OG-N 3.44Å; S438-E441 PolarHBondContact N-OE2 3.14Å; S438-E441 PolarHBondContact O-N 2.86Å; S438-E441 WeakPolarHBondContact OG-CG 3.36Å; S438-E441 PolarHBondContact OG-N 3.05Å; S438-E441 VanDerWaalsContact OG-N 3.09Å; S438-A442 WeakPolarHBondContact O-CB 3.48Å; S438-A442 PolarHBondContact O-N 3.13Å
439G91.5Very high82.1Confident16 Ų1658.8 Ų58.817%0.16532%0.316CS..Hα-helixtrans-57.8-32.9173.800000112.8S443G439-S443 VanDerWaalsContact O-CB 3.32Å; G439-S443 WeakPolarHBondContact O-CB 3.48Å; G439-S443 PolarHBondContact O-N 2.87Å; G439-S443 PolarHBondContact O-OG 3.35Å
440A93.2Very high83.7Confident24 Ų2452.7 Ų52.720%0.19829%0.292CS..Hα-helixtrans-69.5-49.9174.700000112.3I264 A269 S438 A442 S443 M444I264-A440 HydrophobicContact CG1-CB 3.83Å; I264-A440 VanDerWaalsContact O-CB 3.23Å; I264-A440 WeakPolarHBondContact O-CB 3.48Å; A269-A440 HydrophobicContact CB-CB 4.05Å; S438-A440 PolarHBondContact O-N 3.33Å; S438-A440 PolarHBondContact OG-N 3.44Å; A440-A442 PolarHBondContact O-N 3.41Å; A440-S443 PolarHBondContact O-N 3.36Å; A440-M444 VanDerWaalsContact O-CB 3.29Å; A440-M444 WeakPolarHBondContact O-CB 3.34Å; A440-M444 PolarHBondContact O-N 3.37Å
441E94.5Very high85.2Confident29 Ų2951.5 Ų51.514%0.13629%0.292CS..Hα-helixtrans-62.2-42.9-179.1-67.9173.113000112W437 S438 F445 T465 K466W437-E441 WeakPolarHBondContact CA-OE2 3.38Å; W437-E441 HydrophobicContact CE3-CB 3.67Å; W437-E441 HydrophobicContact CZ3-CB 4.12Å; S438-E441 PolarHBondContact N-OE2 3.14Å; S438-E441 PolarHBondContact O-N 2.86Å; S438-E441 WeakPolarHBondContact OG-CG 3.36Å; S438-E441 PolarHBondContact OG-N 3.05Å; S438-E441 VanDerWaalsContact OG-N 3.09Å; E441-F445 VanDerWaalsContact O-CB 3.32Å; E441-F445 WeakPolarHBondContact O-CB 3.31Å; E441-F445 PolarHBondContact O-N 3.46Å; E441-T465 VanDerWaalsContact OE1-CB 3.32Å; E441-T465 WeakPolarHBondContact OE1-CB 3.23Å; E441-T465 PolarHBondContact OE1-OG1 2.74Å; E441-K466 WeakPolarHBondContact OE1-CE 3.26Å; E441-K466 IonicContact OE1-NZ 2.72Å; E441-K466 PolarHBondContact OE1-NZ 3.46Å; E441-K466 WeakPolarHBondContact OE2-CE 3.4Å; E441-K466 IonicContact OE2-NZ 3.58Å; E441-K466 PolarHBondContact OE2-NZ 2.84Å
442A92.3Very high86.5Confident4 Ų450.8 Ų50.83%0.03328%0.275CS..Hα-helixtrans-66.3-41178.600000112.3S271 S438 A440 F445 R446 F474S271-A442 WeakPolarHBondContact OG-CB 3.48Å; S438-A442 WeakPolarHBondContact O-CB 3.48Å; S438-A442 PolarHBondContact O-N 3.13Å; A440-A442 PolarHBondContact O-N 3.41Å; A442-F445 PolarHBondContact O-N 2.91Å; A442-R446 WeakPolarHBondContact O-CG 3.42Å; A442-R446 PolarHBondContact O-N 3.03Å; A442-R446 VanDerWaalsContact O-N 3.07Å; A442-F474 HydrophobicContact CB-CE1 4.38Å; A442-F474 HydrophobicContact CB-CZ 3.94Å
443S93Very high87.5Confident3 Ų351.2 Ų51.22%0.02127%0.269CS..Hα-helixtrans-67.8-44.4176.5-56.80000111.3K270 V272 G439 A440 F445 R446 V447K270-S443 PolarHBondContact O-OG 2.89Å; V272-S443 VanDerWaalsContact CG2-OG 3.32Å; V272-S443 WeakPolarHBondContact CG2-OG 3.37Å; V272-S443 PolarHBondContact N-OG 2.92Å; G439-S443 VanDerWaalsContact O-CB 3.32Å; G439-S443 WeakPolarHBondContact O-CB 3.48Å; G439-S443 PolarHBondContact O-N 2.87Å; G439-S443 PolarHBondContact O-OG 3.35Å; A440-S443 PolarHBondContact O-N 3.36Å; S443-F445 VanDerWaalsContact C-N 3.35Å; S443-F445 PolarHBondContact O-N 3.2Å; S443-R446 PolarHBondContact O-N 2.95Å; S443-V447 WeakPolarHBondContact O-CG2 3.38Å; S443-V447 PolarHBondContact O-N 3.11Å
444M94.3Very high88.5Confident68 Ų6847.5 Ų47.534%0.33525%0.252SS..Hα-helixtrans-61-42.1175.1-175.856.97400111.5I264 A440 V447 L448 I463I264-M444 HydrophobicContact CD1-CB 4.17Å; I264-M444 HydrophobicContact CD1-CE 4.09Å; A440-M444 VanDerWaalsContact O-CB 3.29Å; A440-M444 WeakPolarHBondContact O-CB 3.34Å; A440-M444 PolarHBondContact O-N 3.37Å; M444-V447 PolarHBondContact O-N 3.32Å; M444-L448 HydrophobicContact CG-CD1 3.74Å; M444-L448 HydrophobicContact CG-CG 4.24Å; M444-L448 WeakPolarHBondContact O-CB 3.49Å; M444-L448 VanDerWaalsContact O-CG 3.23Å; M444-L448 WeakPolarHBondContact O-CG 3.33Å; M444-L448 PolarHBondContact O-N 2.74Å; M444-L448 HydrophobicContact SD-CD1 3.99Å; M444-L448 HydrophobicContact SD-CD2 4.44Å; M444-L448 HydrophobicContact SD-CG 3.95Å; M444-I463 HydrophobicContact CG-CG1 4.16Å
445F93.9Very high89.4Confident0 Ų042.1 Ų42.10%022%0.223CC..Hα-helixtrans-57.5-50.1173169.6-91.4000112.1W437 E441 A442 S443 V447 L448 I449 I459 I463 V471 F474 R475 E478W437-F445 HydrophobicContact CH2-CD2 4.39Å; W437-F445 HydrophobicContact CZ3-CB 3.91Å; W437-F445 HydrophobicContact CZ3-CG 4.4Å; E441-F445 VanDerWaalsContact O-CB 3.32Å; E441-F445 WeakPolarHBondContact O-CB 3.31Å; E441-F445 PolarHBondContact O-N 3.46Å; A442-F445 PolarHBondContact O-N 2.91Å; S443-F445 VanDerWaalsContact C-N 3.35Å; S443-F445 PolarHBondContact O-N 3.2Å; F445-V447 VanDerWaalsContact C-N 3.3Å; F445-V447 PolarHBondContact O-N 3.11Å; F445-L448 PolarHBondContact O-N 3.36Å; F445-L448 VanDerWaalsContact O-N 3.11Å; F445-I449 HydrophobicContact CD1-CD1 4.44Å; F445-I449 HydrophobicContact CD1-CG2 4.47Å; F445-I449 HydrophobicContact CD2-CG2 4.19Å; F445-I449 HydrophobicContact CE1-CD1 3.87Å; F445-I449 HydrophobicContact CE1-CG2 4Å; F445-I449 HydrophobicContact CE2-CG2 3.68Å; F445-I449 HydrophobicContact CZ-CD1 4.33Å; F445-I449 HydrophobicContact CZ-CG2 3.57Å; F445-I449 WeakPolarHBondContact O-CG1 3.43Å; F445-I449 PolarHBondContact O-N 2.81Å; F445-I459 HydrophobicContact CD2-CG2 4.22Å; F445-I463 HydrophobicContact CB-CD1 4.11Å; F445-V471 HydrophobicContact CD2-CG1 4.14Å; F445-V471 HydrophobicContact CE2-CG1 3.96Å; F445-F474 HydrophobicContact CB-CD1 4.37Å; F445-F474 HydrophobicContact CB-CE1 4.31Å; F445-F474 AromaticContact CD1-CD1 3.48Å; F445-F474 HydrophobicContact CD1-CD1 3.48Å; F445-F474 VanDerWaalsContact CD1-CD1 3.48Å; F445-F474 AromaticContact CD1-CE1 3.49Å; F445-F474 HydrophobicContact CD1-CE1 3.49Å; F445-F474 VanDerWaalsContact CD1-CE1 3.49Å; F445-F474 HydrophobicContact CD2-CD1 4.03Å; F445-F474 AromaticContact CE1-CD1 3.64Å; F445-F474 HydrophobicContact CE1-CD1 3.64Å; F445-F474 AromaticContact CE1-CE1 3.94Å; F445-F474 HydrophobicContact CE1-CE1 3.94Å; F445-F474 HydrophobicContact CE2-CD1 4.17Å; F445-F474 AromaticContact CG-CD1 3.69Å; F445-F474 HydrophobicContact CG-CD1 3.69Å; F445-F474 AromaticContact CG-CE1 3.93Å; F445-F474 HydrophobicContact CG-CE1 3.93Å; F445-F474 AromaticContact CZ-CD1 3.99Å; F445-F474 HydrophobicContact CZ-CD1 3.99Å; F445-R475 HydrophobicContact CE2-CB 4.27Å; F445-R475 HydrophobicContact CZ-CB 3.79Å; F445-E478 HydrophobicContact CE1-CG 4.1Å
446R91.6Very high89.6Confident31 Ų3140.7 Ų40.712%0.11721%0.214CC..Hα-helixtrans-61.5-37178.4-72.1174-170.8138.16.5112.3S271 V272 A442 S443 I449 E478S271-R446 PolarHBondContact OG-NH1 3.28Å; S271-R446 PolarHBondContact OG-NH2 2.68Å; V272-R446 VanDerWaalsContact O-CD 3.26Å; V272-R446 WeakPolarHBondContact O-CD 3.37Å; V272-R446 PolarHBondContact O-NH1 2.94Å; A442-R446 WeakPolarHBondContact O-CG 3.42Å; A442-R446 PolarHBondContact O-N 3.03Å; A442-R446 VanDerWaalsContact O-N 3.07Å; S443-R446 PolarHBondContact O-N 2.95Å; R446-I449 WeakPolarHBondContact O-CG1 3.4Å; R446-E478 WeakPolarHBondContact CG-OE2 3.4Å; R446-E478 IonicContact CZ-OE1 2.69Å; R446-E478 IonicContact CZ-OE2 3.87Å; R446-E478 IonicContact NE-OE1 2.68Å; R446-E478 PolarHBondContact NE-OE1 3.36Å; R446-E478 IonicContact NE-OE2 2.76Å; R446-E478 PolarHBondContact NE-OE2 3.46Å; R446-E478 IonicContact NH2-OE1 2.59Å; R446-E478 PolarHBondContact NH2-OE1 3.3Å; R446-E478 IonicContact NH2-OE2 2.87Å
447V91.4Very high89.6Confident21 Ų2133.5 Ų33.513%0.12718%0.183CC..Hα-helixtrans-61.7-53.6170.4168.80000110.3R274 L278 S443 M444 F445 G450R274-V447 HydrophobicContact CB-CG2 4.48Å; R274-V447 HydrophobicContact CG-CG2 4.29Å; R274-V447 PolarHBondContact NH1-O 3.4Å; L278-V447 HydrophobicContact CD1-CG1 4.32Å; L278-V447 HydrophobicContact CD2-CG1 4.19Å; L278-V447 HydrophobicContact CD2-CG2 4.41Å; L278-V447 HydrophobicContact CG-CG1 4.46Å; L278-V447 HydrophobicContact CG-CG2 4.19Å; S443-V447 WeakPolarHBondContact O-CG2 3.38Å; S443-V447 PolarHBondContact O-N 3.11Å; M444-V447 PolarHBondContact O-N 3.32Å; F445-V447 VanDerWaalsContact C-N 3.3Å; F445-V447 PolarHBondContact O-N 3.11Å; V447-G450 PolarHBondContact O-N 2.99Å; V447-G450 VanDerWaalsContact O-N 3.14Å
448L91Very high89.4Confident15 Ų1532.4 Ų32.48%0.07918%0.184CC..Hα-helixtrans-66.6-39.6-172.5-70.2171.4000113.5M444 F445 G450 T451 Y452 I459 L462 I463M444-L448 HydrophobicContact CG-CD1 3.74Å; M444-L448 HydrophobicContact CG-CG 4.24Å; M444-L448 WeakPolarHBondContact O-CB 3.49Å; M444-L448 VanDerWaalsContact O-CG 3.23Å; M444-L448 WeakPolarHBondContact O-CG 3.33Å; M444-L448 PolarHBondContact O-N 2.74Å; M444-L448 HydrophobicContact SD-CD1 3.99Å; M444-L448 HydrophobicContact SD-CD2 4.44Å; M444-L448 HydrophobicContact SD-CG 3.95Å; F445-L448 PolarHBondContact O-N 3.36Å; F445-L448 VanDerWaalsContact O-N 3.11Å; L448-G450 PolarHBondContact O-N 3.2Å; L448-T451 PolarHBondContact O-N 2.72Å; L448-Y452 HydrophobicContact CB-CD2 4.39Å; L448-Y452 HydrophobicContact CD2-CD2 3.8Å; L448-Y452 HydrophobicContact CD2-CE2 3.67Å; L448-Y452 PolarHBondContact O-N 3.49Å; L448-I459 HydrophobicContact CB-CG1 4.1Å; L448-I459 HydrophobicContact CB-CG2 4.03Å; L448-I459 HydrophobicContact CD1-CG2 4.05Å; L448-L462 HydrophobicContact CD1-CB 3.9Å; L448-L462 HydrophobicContact CD2-CB 4.3Å; L448-L462 HydrophobicContact CD2-CD1 3.87Å; L448-I463 HydrophobicContact CD1-CD1 4.32Å; L448-I463 HydrophobicContact CD1-CG1 3.73Å
449I88Confident89.3Confident24 Ų2429.8 Ų29.812%0.12317%0.165CC..Hα-helixtrans-61.7-24.9174.562.2175.2000112.8F445 R446 T451 Y453 I459F445-I449 HydrophobicContact CD1-CD1 4.44Å; F445-I449 HydrophobicContact CD1-CG2 4.47Å; F445-I449 HydrophobicContact CD2-CG2 4.19Å; F445-I449 HydrophobicContact CE1-CD1 3.87Å; F445-I449 HydrophobicContact CE1-CG2 4Å; F445-I449 HydrophobicContact CE2-CG2 3.68Å; F445-I449 HydrophobicContact CZ-CD1 4.33Å; F445-I449 HydrophobicContact CZ-CG2 3.57Å; F445-I449 WeakPolarHBondContact O-CG1 3.43Å; F445-I449 PolarHBondContact O-N 2.81Å; R446-I449 WeakPolarHBondContact O-CG1 3.4Å; I449-T451 VanDerWaalsContact C-N 3.25Å; I449-T451 PolarHBondContact O-N 2.86Å; I449-Y453 VanDerWaalsContact O-CA 3.24Å; I449-Y453 WeakPolarHBondContact O-CA 3.38Å; I449-Y453 PolarHBondContact O-N 3.22Å; I449-Y453 VanDerWaalsContact O-N 3.12Å; I449-I459 HydrophobicContact CG2-CD1 3.77Å
450G83.1Confident89.3Confident30 Ų3029.4 Ų29.431%0.30916%0.161SC..Hα-helixtrans-78.5-3.5174.400000114.8R274 V447 L448R274-G450 PolarHBondContact NH1-O 3.42Å; V447-G450 PolarHBondContact O-N 2.99Å; V447-G450 VanDerWaalsContact O-N 3.14Å; L448-G450 PolarHBondContact O-N 3.2Å
451T85.7Confident89.3Confident70 Ų7038.9 Ų38.943%0.42919%0.192SC..Hα-helixtrans-123.8-37179.8-58.40000112.2R274 L448 I449 Y453R274-T451 PolarHBondContact NH1-OG1 3.49Å; L448-T451 PolarHBondContact O-N 2.72Å; I449-T451 VanDerWaalsContact C-N 3.25Å; I449-T451 PolarHBondContact O-N 2.86Å; T451-Y453 WeakPolarHBondContact O-CE2 3.49Å
452Y84.9Confident89.2Confident94 Ų9441.9 Ų41.937%0.36921%0.208SC..Hα-helixtrans-107.6-2.4-177-66.6-82.6000113.4L448 D454 N455 A458 L462L448-Y452 HydrophobicContact CB-CD2 4.39Å; L448-Y452 HydrophobicContact CD2-CD2 3.8Å; L448-Y452 HydrophobicContact CD2-CE2 3.67Å; L448-Y452 PolarHBondContact O-N 3.49Å; Y452-D454 PolarHBondContact O-N 3.05Å; Y452-N455 WeakPolarHBondContact O-CB 3.41Å; Y452-N455 PolarHBondContact O-N 3.38Å; Y452-N455 VanDerWaalsContact O-N 3.09Å; Y452-A458 HydrophobicContact CD1-CB 4.01Å; Y452-A458 HydrophobicContact CE1-CB 4.43Å; Y452-L462 HydrophobicContact CD2-CD1 4.09Å; Y452-L462 HydrophobicContact CE1-CD1 4.17Å; Y452-L462 HydrophobicContact CE2-CD1 3.41Å; Y452-L462 VanDerWaalsContact CE2-CD1 3.41Å; Y452-L462 VanDerWaalsContact CZ-CD1 3.45Å
453Y83.3Confident89.3Confident80 Ų8042.7 Ų42.731%0.31421%0.212SC..THydrogen-bonded Turntrans52.7-126.2179.2-50.7-93000110.3N315 I449 T451 N455 I459N315-Y453 WeakPolarHBondContact CA-OH 3.49Å; N315-Y453 HydrophobicContact CB-CE1 4.48Å; N315-Y453 WeakPolarHBondContact OD1-CE1 3.41Å; N315-Y453 PolarHBondContact OD1-OH 3.3Å; I449-Y453 VanDerWaalsContact O-CA 3.24Å; I449-Y453 WeakPolarHBondContact O-CA 3.38Å; I449-Y453 PolarHBondContact O-N 3.22Å; I449-Y453 VanDerWaalsContact O-N 3.12Å; T451-Y453 WeakPolarHBondContact O-CE2 3.49Å; Y453-N455 VanDerWaalsContact C-N 3.33Å; Y453-N455 PolarHBondContact O-N 3.24Å; Y453-I459 WeakPolarHBondContact O-CD1 3.3Å
454D82.7Confident89.3Confident22 Ų2245.6 Ų45.612%0.11824%0.242CC..THydrogen-bonded Turntrans-92.819.3-177.9-51-71.1000113.6T344 Y452 F456 R475T344-D454 WeakPolarHBondContact CB-OD2 3.49Å; T344-D454 VanDerWaalsContact OG1-CG 3.25Å; T344-D454 PolarHBondContact OG1-OD1 3.34Å; T344-D454 PolarHBondContact OG1-OD2 3.29Å; Y452-D454 PolarHBondContact O-N 3.05Å; D454-F456 HydrophobicContact CB-CE1 4.12Å; D454-F456 HydrophobicContact CB-CE2 3.88Å; D454-F456 HydrophobicContact CB-CZ 3.49Å; D454-F456 VanDerWaalsContact CB-CZ 3.49Å; D454-F456 VanDerWaalsContact O-CD2 3.27Å; D454-F456 WeakPolarHBondContact O-CD2 3.2Å; D454-F456 WeakPolarHBondContact O-CE2 3.21Å; D454-F456 PolarHBondContact O-N 3.22Å; D454-R475 IonicContact OD1-CZ 3.45Å; D454-R475 IonicContact OD1-NE 3.22Å; D454-R475 PolarHBondContact OD1-NE 2.87Å; D454-R475 IonicContact OD1-NH2 2.74Å; D454-R475 PolarHBondContact OD1-NH2 2.83Å
455N86Confident89.2Confident46 Ų4646.9 Ų46.925%0.24625%0.254CS..  trans-77.668.5171.4-168.4-21000111L320 Y452 Y453 C457 A458 I459L320-N455 HydrophobicContact CD2-CB 3.83Å; Y452-N455 WeakPolarHBondContact O-CB 3.41Å; Y452-N455 PolarHBondContact O-N 3.38Å; Y452-N455 VanDerWaalsContact O-N 3.09Å; Y453-N455 VanDerWaalsContact C-N 3.33Å; Y453-N455 PolarHBondContact O-N 3.24Å; N455-C457 PolarHBondContact O-N 3.03Å; N455-C457 VanDerWaalsContact O-N 3.09Å; N455-A458 HydrophobicContact CB-CB 4.31Å; N455-A458 PolarHBondContact O-N 3.11Å; N455-A458 WeakPolarHBondContact OD1-CB 3.43Å; N455-A458 PolarHBondContact OD1-N 3.2Å; N455-I459 WeakPolarHBondContact O-CG1 3.2Å; N455-I459 PolarHBondContact O-N 3.03Å
456F88.4Confident89.1Confident1 Ų148 Ų480%0.00426%0.258CS..Hα-helixtrans-60.1-20.7-179.6-48.3-54.4000113.3Y330 A340 D454 I459 A460 C468 V471 Y472 R475Y330-F456 HydrophobicContact CD1-CB 4.35Å; Y330-F456 HydrophobicContact CD1-CD2 4.29Å; Y330-F456 AromaticContact CD2-CD2 3.92Å; Y330-F456 HydrophobicContact CD2-CD2 3.92Å; Y330-F456 HydrophobicContact CD2-CE2 4.42Å; Y330-F456 HydrophobicContact CE1-CB 4.45Å; Y330-F456 HydrophobicContact CE1-CD2 4.14Å; Y330-F456 AromaticContact CE2-CD2 3.76Å; Y330-F456 HydrophobicContact CE2-CD2 3.76Å; Y330-F456 HydrophobicContact CE2-CE2 4.11Å; Y330-F456 HydrophobicContact CG-CD2 4.18Å; Y330-F456 AromaticContact CZ-CD2 3.88Å; A340-F456 HydrophobicContact CB-CE2 3.85Å; A340-F456 HydrophobicContact CB-CZ 4.47Å; D454-F456 HydrophobicContact CB-CE1 4.12Å; D454-F456 HydrophobicContact CB-CE2 3.88Å; D454-F456 HydrophobicContact CB-CZ 3.49Å; D454-F456 VanDerWaalsContact CB-CZ 3.49Å; D454-F456 VanDerWaalsContact O-CD2 3.27Å; D454-F456 WeakPolarHBondContact O-CD2 3.2Å; D454-F456 WeakPolarHBondContact O-CE2 3.21Å; D454-F456 PolarHBondContact O-N 3.22Å; F456-I459 HydrophobicContact CD1-CD1 4.25Å; F456-A460 VanDerWaalsContact O-CB 3.28Å; F456-A460 WeakPolarHBondContact O-CB 3.44Å; F456-A460 PolarHBondContact O-N 3.07Å; F456-C468 VanDerWaalsContact C-SG 3.6Å; F456-V471 HydrophobicContact CB-CG1 3.88Å; F456-V471 HydrophobicContact CD1-CG1 3.93Å; F456-V471 HydrophobicContact CG-CG1 4.3Å; F456-Y472 AromaticContact CD2-CD2 3.95Å; F456-Y472 HydrophobicContact CD2-CD2 3.95Å; F456-Y472 AromaticContact CE2-CD2 3.74Å; F456-Y472 HydrophobicContact CE2-CD2 3.74Å; F456-Y472 HydrophobicContact CZ-CD2 4.48Å; F456-R475 HydrophobicContact CE1-CB 3.88Å; F456-R475 HydrophobicContact CE1-CG 3.68Å; F456-R475 HydrophobicContact CZ-CB 4.22Å; F456-R475 HydrophobicContact CZ-CG 3.75Å
457C87.8Confident89.1Confident25 Ų2548.1 Ų48.117%0.16926%0.263CS..Hα-helixtrans-67.1-47.4173.2-62.40000111.5C325 N455 R461C325-C457 HydrophobicContact CB-CB 3.91Å; C325-C457 VanDerWaalsContact SG-SG 3.65Å; N455-C457 PolarHBondContact O-N 3.03Å; N455-C457 VanDerWaalsContact O-N 3.09Å; C457-R461 WeakPolarHBondContact O-CB 3.26Å; C457-R461 PolarHBondContact O-N 2.96Å
458A88.4Confident89.1Confident22 Ų2247.4 Ų47.418%0.18226%0.259CS..Hα-helixtrans-68.3-40.3175.100000111.8Y452 N455 R461 L462Y452-A458 HydrophobicContact CD1-CB 4.01Å; Y452-A458 HydrophobicContact CE1-CB 4.43Å; N455-A458 HydrophobicContact CB-CB 4.31Å; N455-A458 PolarHBondContact O-N 3.11Å; N455-A458 WeakPolarHBondContact OD1-CB 3.43Å; N455-A458 PolarHBondContact OD1-N 3.2Å; A458-R461 PolarHBondContact O-N 3.11Å; A458-L462 VanDerWaalsContact O-CG 3.31Å; A458-L462 WeakPolarHBondContact O-CG 3.47Å; A458-L462 PolarHBondContact O-N 3.34Å
459I90.9Very high88.9Confident0 Ų049.5 Ų49.50%027%0.266CS..Hα-helixtrans-63.6-47.7-179.6-62.5170.6000110.9F445 L448 I449 Y453 N455 F456 R461 L462 I463 V471F445-I459 HydrophobicContact CD2-CG2 4.22Å; L448-I459 HydrophobicContact CB-CG1 4.1Å; L448-I459 HydrophobicContact CB-CG2 4.03Å; L448-I459 HydrophobicContact CD1-CG2 4.05Å; I449-I459 HydrophobicContact CG2-CD1 3.77Å; Y453-I459 WeakPolarHBondContact O-CD1 3.3Å; N455-I459 WeakPolarHBondContact O-CG1 3.2Å; N455-I459 PolarHBondContact O-N 3.03Å; F456-I459 HydrophobicContact CD1-CD1 4.25Å; I459-R461 VanDerWaalsContact C-N 3.34Å; I459-R461 PolarHBondContact O-N 3.05Å; I459-L462 PolarHBondContact O-N 2.81Å; I459-L462 VanDerWaalsContact O-N 3.11Å; I459-I463 HydrophobicContact CG2-CD1 3.75Å; I459-I463 HydrophobicContact CG2-CG1 4.4Å; I459-I463 WeakPolarHBondContact O-CG1 3.49Å; I459-I463 PolarHBondContact O-N 3.21Å; I459-V471 HydrophobicContact CB-CG1 3.97Å; I459-V471 HydrophobicContact CG2-CG1 3.62Å; I459-V471 HydrophobicContact CG2-CG2 4.45Å
460A91.8Very high89Confident9 Ų949.7 Ų49.77%0.07427%0.266CS..Hα-helixtrans-59.9-42.2175.400000112.5F456 L462 I463 G464 C468 V471F456-A460 VanDerWaalsContact O-CB 3.28Å; F456-A460 WeakPolarHBondContact O-CB 3.44Å; F456-A460 PolarHBondContact O-N 3.07Å; A460-L462 PolarHBondContact O-N 3.42Å; A460-I463 PolarHBondContact O-N 3.36Å; A460-G464 PolarHBondContact O-N 3.04Å; A460-C468 HydrophobicContact CB-CB 4.08Å; A460-V471 HydrophobicContact CB-CB 4.45Å; A460-V471 HydrophobicContact CB-CG2 3.84Å
461R91.9Very high89.4Confident222 Ų22248.3 Ų48.384%0.83825%0.251SS*.Hα-helixtrans-61.5-29.4175.7-177.7176.9176.583.84.6113.2C457 A458 I459C457-R461 WeakPolarHBondContact O-CB 3.26Å; C457-R461 PolarHBondContact O-N 2.96Å; A458-R461 PolarHBondContact O-N 3.11Å; I459-R461 VanDerWaalsContact C-N 3.34Å; I459-R461 PolarHBondContact O-N 3.05Å
462L93.4Very high89.5Confident92 Ų9245 Ų4548%0.48223%0.231SC..Hα-helixtrans-89.6-28.6-179.5-70.8167.6000113.4L448 Y452 A458 I459 A460L448-L462 HydrophobicContact CD1-CB 3.9Å; L448-L462 HydrophobicContact CD2-CB 4.3Å; L448-L462 HydrophobicContact CD2-CD1 3.87Å; Y452-L462 HydrophobicContact CD2-CD1 4.09Å; Y452-L462 HydrophobicContact CE1-CD1 4.17Å; Y452-L462 HydrophobicContact CE2-CD1 3.41Å; Y452-L462 VanDerWaalsContact CE2-CD1 3.41Å; Y452-L462 VanDerWaalsContact CZ-CD1 3.45Å; A458-L462 VanDerWaalsContact O-CG 3.31Å; A458-L462 WeakPolarHBondContact O-CG 3.47Å; A458-L462 PolarHBondContact O-N 3.34Å; I459-L462 PolarHBondContact O-N 2.81Å; I459-L462 VanDerWaalsContact O-N 3.11Å; A460-L462 PolarHBondContact O-N 3.42Å
463I93.7Very high89.6Confident22 Ų2241.2 Ų41.211%0.11322%0.217CC..Hα-helixtrans-74.9-38.6170.9-66.8173.2000110.5W437 M444 F445 L448 I459 A460 T465 K466 V471W437-I463 HydrophobicContact CH2-CD1 4.31Å; W437-I463 HydrophobicContact CZ3-CD1 4.19Å; M444-I463 HydrophobicContact CG-CG1 4.16Å; F445-I463 HydrophobicContact CB-CD1 4.11Å; L448-I463 HydrophobicContact CD1-CD1 4.32Å; L448-I463 HydrophobicContact CD1-CG1 3.73Å; I459-I463 HydrophobicContact CG2-CD1 3.75Å; I459-I463 HydrophobicContact CG2-CG1 4.4Å; I459-I463 WeakPolarHBondContact O-CG1 3.49Å; I459-I463 PolarHBondContact O-N 3.21Å; A460-I463 PolarHBondContact O-N 3.36Å; I463-T465 WeakPolarHBondContact CG2-OG1 3.18Å; I463-T465 PolarHBondContact O-N 2.75Å; I463-K466 HydrophobicContact CG2-CB 4.02Å; I463-K466 HydrophobicContact CG2-CG 3.96Å; I463-V471 HydrophobicContact CD1-CG2 4.22Å
464G92.4Very high89.9Confident63 Ų6338.3 Ų38.365%0.64921%0.206SC*.  trans75.4-41.3176.200000114.8A460A460-G464 PolarHBondContact O-N 3.04Å
465T92.9Very high90.2Very high95 Ų9538.4 Ų38.458%0.58320%0.204SC*.SBendtrans-81.7-11.6-179.156.80000114.7E441 I463E441-T465 VanDerWaalsContact OE1-CB 3.32Å; E441-T465 WeakPolarHBondContact OE1-CB 3.23Å; E441-T465 PolarHBondContact OE1-OG1 2.74Å; I463-T465 WeakPolarHBondContact CG2-OG1 3.18Å; I463-T465 PolarHBondContact O-N 2.75Å
466K92.1Very high90.1Very high23 Ų2337.9 Ų37.910%0.120%0.203CC..SBendtrans-125.1139.9-175-63.3-63.8-162.1-108.70111.6V435 E436 W437 E441 I463 V471V435-K466 HydrophobicContact CG1-CD 4.05Å; E436-K466 VanDerWaalsContact O-CE 3.29Å; E436-K466 WeakPolarHBondContact O-CE 3.27Å; E436-K466 PolarHBondContact O-NZ 3.48Å; W437-K466 HydrophobicContact CH2-CB 4.16Å; W437-K466 HydrophobicContact CH2-CD 4.49Å; W437-K466 HydrophobicContact CH2-CG 3.81Å; W437-K466 HydrophobicContact CZ2-CB 4.27Å; W437-K466 HydrophobicContact CZ2-CD 4.07Å; W437-K466 HydrophobicContact CZ2-CG 3.86Å; W437-K466 HydrophobicContact CZ3-CG 4.15Å; E441-K466 WeakPolarHBondContact OE1-CE 3.26Å; E441-K466 IonicContact OE1-NZ 2.72Å; E441-K466 PolarHBondContact OE1-NZ 3.46Å; E441-K466 WeakPolarHBondContact OE2-CE 3.4Å; E441-K466 IonicContact OE2-NZ 3.58Å; E441-K466 PolarHBondContact OE2-NZ 2.84Å; I463-K466 HydrophobicContact CG2-CB 4.02Å; I463-K466 HydrophobicContact CG2-CG 3.96Å; K466-V471 HydrophobicContact CB-CG2 4.13Å
467T91.5Very high89.9Confident35 Ų3542.1 Ų42.122%0.21522%0.221CC..  trans-76.7163.7179.575.10000112.1R469 Q470 V471T467-R469 VanDerWaalsContact C-N 3.31Å; T467-R469 PolarHBondContact O-N 2.86Å; T467-Q470 PolarHBondContact O-N 2.86Å; T467-Q470 VanDerWaalsContact OG1-CG 3.27Å; T467-Q470 WeakPolarHBondContact OG1-CG 3.42Å; T467-Q470 PolarHBondContact OG1-N 3.46Å; T467-Q470 PolarHBondContact OG1-OE1 3.49Å; T467-V471 WeakPolarHBondContact O-CG2 3.48Å; T467-V471 PolarHBondContact O-N 2.87Å
468C90.6Very high89.6Confident6 Ų641.8 Ų41.84%0.04122%0.217CC..Hα-helixtrans-63.7-35.9179.5-173.40000112.9C325 F456 A460 Y472C325-C468 WeakPolarHBondContact SG-CB 3.19Å; F456-C468 VanDerWaalsContact C-SG 3.6Å; A460-C468 HydrophobicContact CB-CB 4.08Å; C468-Y472 PolarHBondContact O-N 2.72Å
469R88.1Confident88.9Confident59 Ų5942.7 Ų42.722%0.22322%0.222CC..Hα-helixtrans-60.4-51.2169.1176.2173.9174.6138.514.9111.8Q328 L333 E430 T467 V471 Y472 E473Q328-R469 PolarHBondContact O-N 3.35Å; Q328-R469 VanDerWaalsContact O-N 3.14Å; L333-R469 HydrophobicContact CD1-CG 4.35Å; E430-R469 IonicContact OE2-CZ 2.73Å; E430-R469 IonicContact OE2-NH1 2.77Å; E430-R469 PolarHBondContact OE2-NH1 2.72Å; E430-R469 IonicContact OE2-NH2 3.75Å; E430-R469 PolarHBondContact OE2-NH2 3.18Å; T467-R469 VanDerWaalsContact C-N 3.31Å; T467-R469 PolarHBondContact O-N 2.86Å; R469-V471 VanDerWaalsContact C-N 3.33Å; R469-V471 PolarHBondContact O-N 2.85Å; R469-Y472 WeakPolarHBondContact O-CB 3.44Å; R469-Y472 PolarHBondContact O-N 3.43Å; R469-Y472 VanDerWaalsContact O-N 3.1Å; R469-E473 VanDerWaalsContact CG-OE1 3.31Å; R469-E473 WeakPolarHBondContact CG-OE1 3.37Å; R469-E473 IonicContact CZ-OE1 3.56Å; R469-E473 IonicContact NE-OE1 2.71Å; R469-E473 PolarHBondContact NE-OE1 3.1Å; R469-E473 IonicContact NH2-OE1 3.17Å; R469-E473 PolarHBondContact NH2-OE1 2.81Å; R469-E473 VanDerWaalsContact NH2-OE1 3.15Å; R469-E473 PolarHBondContact O-N 2.79Å
470Q89.6Confident87.6Confident28 Ų2847.4 Ų47.413%0.13126%0.255CS..Hα-helixtrans-62.1-37.3-178.8-70163.9-7.900112.9E433 V435 T467 E473 F474E433-Q470 PolarHBondContact OE2-NE2 2.94Å; V435-Q470 HydrophobicContact CG2-CG 4.12Å; T467-Q470 PolarHBondContact O-N 2.86Å; T467-Q470 VanDerWaalsContact OG1-CG 3.27Å; T467-Q470 WeakPolarHBondContact OG1-CG 3.42Å; T467-Q470 PolarHBondContact OG1-N 3.46Å; T467-Q470 PolarHBondContact OG1-OE1 3.49Å; Q470-E473 PolarHBondContact O-N 2.91Å; Q470-F474 WeakPolarHBondContact O-CB 3.31Å; Q470-F474 PolarHBondContact O-N 3.21Å
471V90.9Very high86.5Confident0 Ų052.7 Ų52.70%028%0.281CS..Hα-helixtrans-63.9-39174.21690000111.9W437 F445 F456 I459 A460 I463 K466 T467 R469 R475W437-V471 HydrophobicContact CH2-CG2 4.14Å; F445-V471 HydrophobicContact CD2-CG1 4.14Å; F445-V471 HydrophobicContact CE2-CG1 3.96Å; F456-V471 HydrophobicContact CB-CG1 3.88Å; F456-V471 HydrophobicContact CD1-CG1 3.93Å; F456-V471 HydrophobicContact CG-CG1 4.3Å; I459-V471 HydrophobicContact CB-CG1 3.97Å; I459-V471 HydrophobicContact CG2-CG1 3.62Å; I459-V471 HydrophobicContact CG2-CG2 4.45Å; A460-V471 HydrophobicContact CB-CB 4.45Å; A460-V471 HydrophobicContact CB-CG2 3.84Å; I463-V471 HydrophobicContact CD1-CG2 4.22Å; K466-V471 HydrophobicContact CB-CG2 4.13Å; T467-V471 WeakPolarHBondContact O-CG2 3.48Å; T467-V471 PolarHBondContact O-N 2.87Å; R469-V471 VanDerWaalsContact C-N 3.33Å; R469-V471 PolarHBondContact O-N 2.85Å; V471-R475 PolarHBondContact O-N 3.46Å
472Y88.3Confident84.5Confident2 Ų245.4 Ų45.41%0.00826%0.258CS..Hα-helixtrans-66.8-47173.4169-97.6000111.4Y330 L333 A336 F339 A340 F456 C468 R469 F474 R475 V476Y330-Y472 AromaticContact CD2-CD2 3.65Å; Y330-Y472 HydrophobicContact CD2-CD2 3.65Å; Y330-Y472 HydrophobicContact CD2-CE2 4.14Å; Y330-Y472 HydrophobicContact CD2-CG 4.01Å; Y330-Y472 HydrophobicContact CE2-CD2 4.4Å; Y330-Y472 HydrophobicContact CG-CD2 4.31Å; Y330-Y472 HydrophobicContact CG-CG 4.25Å; L333-Y472 HydrophobicContact CD1-CD1 4.14Å; L333-Y472 HydrophobicContact CD1-CE1 4.18Å; A336-Y472 WeakPolarHBondContact CA-OH 3.17Å; A336-Y472 HydrophobicContact CB-CE1 3.98Å; A336-Y472 HydrophobicContact CB-CE2 4.13Å; F339-Y472 WeakPolarHBondContact CD1-OH 3.47Å; A340-Y472 HydrophobicContact CB-CE2 4.34Å; F456-Y472 AromaticContact CD2-CD2 3.95Å; F456-Y472 HydrophobicContact CD2-CD2 3.95Å; F456-Y472 AromaticContact CE2-CD2 3.74Å; F456-Y472 HydrophobicContact CE2-CD2 3.74Å; F456-Y472 HydrophobicContact CZ-CD2 4.48Å; C468-Y472 PolarHBondContact O-N 2.72Å; R469-Y472 WeakPolarHBondContact O-CB 3.44Å; R469-Y472 PolarHBondContact O-N 3.43Å; R469-Y472 VanDerWaalsContact O-N 3.1Å; Y472-F474 VanDerWaalsContact C-N 3.28Å; Y472-F474 PolarHBondContact O-N 3.27Å; Y472-R475 WeakPolarHBondContact O-CA 3.38Å; Y472-R475 VanDerWaalsContact O-CB 3.31Å; Y472-R475 WeakPolarHBondContact O-CB 3.26Å; Y472-R475 PolarHBondContact O-N 3.1Å; Y472-V476 HydrophobicContact CE1-CG2 4.09Å; Y472-V476 HydrophobicContact CE2-CG2 4.3Å; Y472-V476 WeakPolarHBondContact O-CG2 3.45Å; Y472-V476 PolarHBondContact O-N 3.36Å
473E87.8Confident82.2Confident14 Ų1445 Ų457%0.06527%0.268CS..Hα-helixtrans-60.8-36.9178-69.5176.6-167.300112.3P432 E433 R469 Q470 V476 K477P432-E473 WeakPolarHBondContact CA-OE2 3.48Å; P432-E473 HydrophobicContact CB-CB 4.24Å; P432-E473 HydrophobicContact CB-CG 4.25Å; E433-E473 PolarHBondContact N-OE2 3.16Å; R469-E473 VanDerWaalsContact CG-OE1 3.31Å; R469-E473 WeakPolarHBondContact CG-OE1 3.37Å; R469-E473 IonicContact CZ-OE1 3.56Å; R469-E473 IonicContact NE-OE1 2.71Å; R469-E473 PolarHBondContact NE-OE1 3.1Å; R469-E473 IonicContact NH2-OE1 3.17Å; R469-E473 PolarHBondContact NH2-OE1 2.81Å; R469-E473 VanDerWaalsContact NH2-OE1 3.15Å; R469-E473 PolarHBondContact O-N 2.79Å; Q470-E473 PolarHBondContact O-N 2.91Å; E473-V476 PolarHBondContact O-N 3.45Å; E473-K477 PolarHBondContact O-N 3.06Å
474F89.4Confident79.7Confident19 Ų1949 Ų498%0.08330%0.295CS..Hα-helixtrans-69.3-35.6173-166.3-103.3000112.8W437 A442 F445 Q470 Y472 V476 K477 E478W437-F474 HydrophobicContact CB-CE2 4Å; W437-F474 HydrophobicContact CB-CZ 4.49Å; W437-F474 AromaticContact CD1-CD2 3.64Å; W437-F474 AromaticContact CD1-CE2 3.96Å; W437-F474 HydrophobicContact CD2-CB 4.41Å; W437-F474 HydrophobicContact CD2-CD1 4.18Å; W437-F474 AromaticContact CD2-CD2 3.57Å; W437-F474 HydrophobicContact CD2-CD2 3.57Å; W437-F474 HydrophobicContact CD2-CE1 4.35Å; W437-F474 AromaticContact CD2-CE2 3.78Å; W437-F474 HydrophobicContact CD2-CE2 3.78Å; W437-F474 AromaticContact CD2-CG 3.79Å; W437-F474 HydrophobicContact CD2-CG 3.79Å; W437-F474 HydrophobicContact CD2-CZ 4.17Å; W437-F474 AromaticContact CE2-CD2 3.53Å; W437-F474 AromaticContact CE2-CG 3.53Å; W437-F474 HydrophobicContact CE3-CD1 4.05Å; W437-F474 HydrophobicContact CE3-CD2 4.24Å; W437-F474 HydrophobicContact CE3-CE1 4.08Å; W437-F474 HydrophobicContact CE3-CE2 4.27Å; W437-F474 HydrophobicContact CE3-CG 4.13Å; W437-F474 HydrophobicContact CE3-CZ 4.19Å; W437-F474 AromaticContact CG-CD2 3.67Å; W437-F474 HydrophobicContact CG-CD2 3.67Å; W437-F474 AromaticContact CG-CE2 3.63Å; W437-F474 HydrophobicContact CG-CE2 3.63Å; W437-F474 HydrophobicContact CG-CG 4.38Å; W437-F474 HydrophobicContact CG-CZ 4.31Å; W437-F474 HydrophobicContact CH2-CB 3.97Å; W437-F474 HydrophobicContact CH2-CD1 4.06Å; W437-F474 HydrophobicContact CH2-CG 4.02Å; W437-F474 HydrophobicContact CZ2-CB 3.39Å; W437-F474 HydrophobicContact CZ2-CD1 4.19Å; W437-F474 HydrophobicContact CZ2-CD2 4.16Å; W437-F474 AromaticContact CZ2-CG 3.67Å; W437-F474 HydrophobicContact CZ2-CG 3.67Å; W437-F474 AromaticContact CZ3-CD1 4Å; W437-F474 HydrophobicContact CZ3-CD1 4Å; W437-F474 HydrophobicContact CZ3-CE1 4.33Å; W437-F474 HydrophobicContact CZ3-CG 4.25Å; W437-F474 AromaticContact NE1-CD2 3.54Å; W437-F474 AromaticContact NE1-CG 3.95Å; A442-F474 HydrophobicContact CB-CE1 4.38Å; A442-F474 HydrophobicContact CB-CZ 3.94Å; F445-F474 HydrophobicContact CB-CD1 4.37Å; F445-F474 HydrophobicContact CB-CE1 4.31Å; F445-F474 AromaticContact CD1-CD1 3.48Å; F445-F474 HydrophobicContact CD1-CD1 3.48Å; F445-F474 VanDerWaalsContact CD1-CD1 3.48Å; F445-F474 AromaticContact CD1-CE1 3.49Å; F445-F474 HydrophobicContact CD1-CE1 3.49Å; F445-F474 VanDerWaalsContact CD1-CE1 3.49Å; F445-F474 HydrophobicContact CD2-CD1 4.03Å; F445-F474 AromaticContact CE1-CD1 3.64Å; F445-F474 HydrophobicContact CE1-CD1 3.64Å; F445-F474 AromaticContact CE1-CE1 3.94Å; F445-F474 HydrophobicContact CE1-CE1 3.94Å; F445-F474 HydrophobicContact CE2-CD1 4.17Å; F445-F474 AromaticContact CG-CD1 3.69Å; F445-F474 HydrophobicContact CG-CD1 3.69Å; F445-F474 AromaticContact CG-CE1 3.93Å; F445-F474 HydrophobicContact CG-CE1 3.93Å; F445-F474 AromaticContact CZ-CD1 3.99Å; F445-F474 HydrophobicContact CZ-CD1 3.99Å; Q470-F474 WeakPolarHBondContact O-CB 3.31Å; Q470-F474 PolarHBondContact O-N 3.21Å; Y472-F474 VanDerWaalsContact C-N 3.28Å; Y472-F474 PolarHBondContact O-N 3.27Å; F474-V476 VanDerWaalsContact C-N 3.34Å; F474-V476 PolarHBondContact O-N 3.04Å; F474-K477 PolarHBondContact O-N 3.46Å; F474-E478 HydrophobicContact CD1-CG 3.98Å; F474-E478 HydrophobicContact CE1-CG 3.6Å; F474-E478 HydrophobicContact CZ-CG 3.96Å; F474-E478 WeakPolarHBondContact O-CB 3.44Å; F474-E478 PolarHBondContact O-N 3.09Å
475R87.4Confident77.1Confident23 Ų2348.8 Ų48.89%0.08729%0.288CS..Hα-helixtrans-59.9-42.3170.2177.970.9170.31067.8111.9T344 F445 D454 F456 V471 Y472 S479T344-R475 PolarHBondContact OG1-NH2 3.1Å; F445-R475 HydrophobicContact CE2-CB 4.27Å; F445-R475 HydrophobicContact CZ-CB 3.79Å; D454-R475 IonicContact OD1-CZ 3.45Å; D454-R475 IonicContact OD1-NE 3.22Å; D454-R475 PolarHBondContact OD1-NE 2.87Å; D454-R475 IonicContact OD1-NH2 2.74Å; D454-R475 PolarHBondContact OD1-NH2 2.83Å; F456-R475 HydrophobicContact CE1-CB 3.88Å; F456-R475 HydrophobicContact CE1-CG 3.68Å; F456-R475 HydrophobicContact CZ-CB 4.22Å; F456-R475 HydrophobicContact CZ-CG 3.75Å; V471-R475 PolarHBondContact O-N 3.46Å; Y472-R475 WeakPolarHBondContact O-CA 3.38Å; Y472-R475 VanDerWaalsContact O-CB 3.31Å; Y472-R475 WeakPolarHBondContact O-CB 3.26Å; Y472-R475 PolarHBondContact O-N 3.1Å; R475-S479 VanDerWaalsContact O-CB 3.31Å; R475-S479 WeakPolarHBondContact O-CB 3.39Å; R475-S479 PolarHBondContact O-N 3.38Å; R475-S479 PolarHBondContact O-OG 3.22Å
476V84.9Confident74.4Confident35 Ų3549.6 Ų49.621%0.21229%0.294CS..Hα-helixtrans-62.9-48.8175.2179.80000110F339 Y472 E473 F474 E478 S479 S480F339-V476 HydrophobicContact CD1-CG2 4.19Å; F339-V476 HydrophobicContact CE1-CG1 4.05Å; F339-V476 HydrophobicContact CE1-CG2 3.86Å; Y472-V476 HydrophobicContact CE1-CG2 4.09Å; Y472-V476 HydrophobicContact CE2-CG2 4.3Å; Y472-V476 WeakPolarHBondContact O-CG2 3.45Å; Y472-V476 PolarHBondContact O-N 3.36Å; E473-V476 PolarHBondContact O-N 3.45Å; F474-V476 VanDerWaalsContact C-N 3.34Å; F474-V476 PolarHBondContact O-N 3.04Å; V476-E478 PolarHBondContact O-N 3.33Å; V476-S479 PolarHBondContact O-N 3.09Å; V476-S479 PolarHBondContact O-OG 3.26Å; V476-S480 PolarHBondContact O-N 2.9Å
477K84.1Confident71.9Confident90 Ų9050.6 Ų50.639%0.39131%0.307SS..Hα-helixtrans-56.2-52.9177.5-170177.4-70.2-179.30112.2E473 F474 S479 S480 I481E473-K477 PolarHBondContact O-N 3.06Å; F474-K477 PolarHBondContact O-N 3.46Å; K477-S479 VanDerWaalsContact C-N 3.31Å; K477-S479 PolarHBondContact O-N 2.9Å; K477-S480 PolarHBondContact O-N 2.78Å; K477-S480 PolarHBondContact O-OG 3.39Å; K477-I481 HydrophobicContact CG-CD1 4.12Å; K477-I481 WeakPolarHBondContact O-CG1 3.38Å
478E81.3Confident69.3Low18 Ų1855.5 Ų55.58%0.08433%0.327CS..Hα-helixtrans-60.8-36.2176.9-74.2-98.8109.400112.6F445 R446 F474 V476 S480 I481 I482F445-E478 HydrophobicContact CE1-CG 4.1Å; R446-E478 WeakPolarHBondContact CG-OE2 3.4Å; R446-E478 IonicContact CZ-OE1 2.69Å; R446-E478 IonicContact CZ-OE2 3.87Å; R446-E478 IonicContact NE-OE1 2.68Å; R446-E478 PolarHBondContact NE-OE1 3.36Å; R446-E478 IonicContact NE-OE2 2.76Å; R446-E478 PolarHBondContact NE-OE2 3.46Å; R446-E478 IonicContact NH2-OE1 2.59Å; R446-E478 PolarHBondContact NH2-OE1 3.3Å; R446-E478 IonicContact NH2-OE2 2.87Å; F474-E478 HydrophobicContact CD1-CG 3.98Å; F474-E478 HydrophobicContact CE1-CG 3.6Å; F474-E478 HydrophobicContact CZ-CG 3.96Å; F474-E478 WeakPolarHBondContact O-CB 3.44Å; F474-E478 PolarHBondContact O-N 3.09Å; V476-E478 PolarHBondContact O-N 3.33Å; E478-S480 PolarHBondContact O-N 2.77Å; E478-I481 PolarHBondContact O-N 3.43Å; E478-I482 PolarHBondContact O-N 2.81Å; E478-I482 WeakPolarHBondContact OE2-CD1 3.48Å
479S73.5Confident66.7Low42 Ų4260.5 Ų60.529%0.29435%0.354SS..Hα-helixtrans-66.7-22.2178.973.70000114.3R475 V476 K477R475-S479 VanDerWaalsContact O-CB 3.31Å; R475-S479 WeakPolarHBondContact O-CB 3.39Å; R475-S479 PolarHBondContact O-N 3.38Å; R475-S479 PolarHBondContact O-OG 3.22Å; V476-S479 PolarHBondContact O-N 3.09Å; V476-S479 PolarHBondContact O-OG 3.26Å; K477-S479 VanDerWaalsContact C-N 3.31Å; K477-S479 PolarHBondContact O-N 2.9Å
480S64.4Low64.3Low99 Ų9961.2 Ų61.269%0.69236%0.364SS*.THydrogen-bonded Turntrans-86.7-8.2172.967.60000114.2V476 K477 E478V476-S480 PolarHBondContact O-N 2.9Å; K477-S480 PolarHBondContact O-N 2.78Å; K477-S480 PolarHBondContact O-OG 3.39Å; E478-S480 PolarHBondContact O-N 2.77Å
481I68.3Low61.5Low120 Ų12066.2 Ų66.262%0.61539%0.392SS*.THydrogen-bonded Turntrans-112.3-34.8-173.3-64.9169.8000111.8K477 E478K477-I481 HydrophobicContact CG-CD1 4.12Å; K477-I481 WeakPolarHBondContact O-CG1 3.38Å; E478-I481 PolarHBondContact O-N 3.43Å
482I50.1Low58.9Low69 Ų6968.7 Ų68.735%0.35441%0.407SS..SBendtrans-104.3122.8-171.5-59.9-179.7000111.3E478E478-I482 PolarHBondContact O-N 2.81Å; E478-I482 WeakPolarHBondContact OE2-CD1 3.48Å
483A44.9Very low56.2Low82 Ų8273.2 Ų73.268%0.67844%0.437SS*.  trans-61.2141.6174.300000111.9A485A483-A485 PolarHBondContact O-N 3.14Å
484P40.3Very low53.6Low106 Ų10677.6 Ų77.669%0.68847%0.467SS*.  trans-68.8105-174.526.8-34.4000111.9
485A37.8Very low51Low60 Ų6086.2 Ų86.250%0.49650%0.498SS..  trans-5813416900000110.3A483 A487A483-A485 PolarHBondContact O-N 3.14Å; A485-A487 PolarHBondContact O-N 3.39Å
486P36.4Very low48.4Very low112 Ų11293.5 Ų93.573%0.72753%0.531SS*.  trans-65.3125.4-170.125.3-34.4000111.9E488P486-E488 PolarHBondContact O-N 3.24Å; P486-E488 VanDerWaalsContact O-N 3.11Å
487A40Very low46.6Very low43 Ų43101.7 Ų101.736%0.35556%0.564SS.*  trans-73.896.2167.400000109.3A485 D489A485-A487 PolarHBondContact O-N 3.39Å; A487-D489 PolarHBondContact O-N 2.92Å
488E37.3Very low44.6Very low138 Ų138106.9 Ų106.965%0.64559%0.586SS**  trans-69.997.5165.7-78.3-128.7138.700109.5P486 V490P486-E488 PolarHBondContact O-N 3.24Å; P486-E488 VanDerWaalsContact O-N 3.11Å; E488-V490 PolarHBondContact O-N 3.19Å
489D35.9Very low42.8Very low112 Ų112116.9 Ų116.960%0.59962%0.623SS**  trans-72.7112.2-179.7-152.3-12.4000110.2A487 R532A487-D489 PolarHBondContact O-N 2.92Å; D489-R532 VanDerWaalsContact O-CZ 3.27Å; D489-R532 PolarHBondContact O-NH1 3.3Å; D489-R532 PolarHBondContact O-NH2 2.85Å
490V37.2Very low41.4Very low73 Ų73123.3 Ų123.344%0.44265%0.646SS.*  trans-106.669.9-179.3-172.10000109K314 E488 T492K314-V490 PolarHBondContact NZ-O 3.39Å; E488-V490 PolarHBondContact O-N 3.19Å; V490-T492 PolarHBondContact O-N 2.97Å
491D31.9Very low40.6Very low133 Ų133122.4 Ų122.471%0.71163%0.63SS**  trans-57.6132.1177.2-170.25.8000110.9
492T36.5Very low39.6Very low53 Ų53128.2 Ų128.233%0.32565%0.645SS.*  trans-167.6123.8162.4-3.30000107.3K314 V490K314-T492 PolarHBondContact NZ-O 3.11Å; K314-T492 PolarHBondContact NZ-OG1 2.84Å; V490-T492 PolarHBondContact O-N 2.97Å
493P30.9Very low39.7Very low96 Ų96130.8 Ų130.862%0.62366%0.658SS**  trans-65.1161-16723.1-34.4000114.4
494P33.8Very low40.1Very low107 Ų107128.6 Ų128.670%0.69563%0.633SS**  trans-65.3147.7-176.825.5-35.2000113.6K496P494-K496 PolarHBondContact O-N 2.84Å
495R34Very low40.7Very low199 Ų199125.5 Ų125.575%0.75162%0.616SS**  trans-54.590.8-179.9-83.2177.8156.6178.1-5.7113.5K497R495-K497 PolarHBondContact O-N 3.43Å
496K33Very low41.4Very low177 Ų177125.3 Ų125.377%0.7761%0.614SS**  trans-84.399.1171.8-73.7-179.4179.8175.20111.1P494 K498P494-K496 PolarHBondContact O-N 2.84Å; K496-K498 PolarHBondContact O-N 2.74Å
497K46.6Very low42.5Very low207 Ų207123.5 Ų123.590%0.960%0.596SS**  trans-59.394.1176.8-70.2178.4176.71750112.7R495R495-K497 PolarHBondContact O-N 3.43Å
498K41.7Very low43.3Very low198 Ų198121.8 Ų121.886%0.86158%0.581SS**  trans-148.1103.8169.8-117.3170.6-173.31760117.4K496K496-K498 PolarHBondContact O-N 2.74Å
499R44.8Very low44.2Very low229 Ų229121.9 Ų121.986%0.86458%0.576SS**  trans48.487.1132.4-167.5-174.5-179.4-175.30.7119.5
500K42.9Very low45.1Very low176 Ų176123.8 Ų123.877%0.76558%0.579SS**  trans-151.829.8152.2-116.6168.5-173.7179.70116.4R502 L503K500-R502 PolarHBondContact O-N 3.14Å; K500-L503 HydrophobicContact CG-CD1 4.48Å
501H48.1Very low45.8Very low81 Ų81122.9 Ų122.938%0.37557%0.571SS.*Hα-helixtrans-61.6-28.1-168.6-166.1-99.5000117.1L503 W504H501-L503 VanDerWaalsContact C-N 3.31Å; H501-L503 PolarHBondContact O-N 3.45Å; H501-W504 PolarHBondContact O-N 3.47Å
502R47.6Very low46.8Very low242 Ų242119.3 Ų119.391%0.91355%0.55SS*.Hα-helixtrans-63.5-32.9-177.1-90-171.6176.8176.9-0.9113.4K500K500-R502 PolarHBondContact O-N 3.14Å
503L51.6Low47.3Very low122 Ų122122.9 Ų122.964%0.63957%0.566SS**Hα-helixtrans-71.2-32.6177.4-69.3168.2000112.1K500 H501 A505 A506 H507K500-L503 HydrophobicContact CG-CD1 4.48Å; H501-L503 VanDerWaalsContact C-N 3.31Å; H501-L503 PolarHBondContact O-N 3.45Å; L503-A505 PolarHBondContact O-N 3.19Å; L503-A506 WeakPolarHBondContact O-CB 3.49Å; L503-A506 PolarHBondContact O-N 3.18Å; L503-H507 PolarHBondContact O-N 2.75Å
504W53.5Low48.1Very low37 Ų37126 Ų12614%0.1457%0.57CS.*Hα-helixtrans-67.2-35.1-174.8-167.9-97.8000113.2H501 A506 H507 C508 F547 Q559 P563H501-W504 PolarHBondContact O-N 3.47Å; W504-A506 PolarHBondContact O-N 3.31Å; W504-H507 HydrophobicContact CD2-CB 4.44Å; W504-H507 HydrophobicContact CE3-CB 4.16Å; W504-H507 AromaticContact CE3-ND1 3.48Å; W504-H507 AromaticContact CH2-CE1 3.87Å; W504-H507 AromaticContact CH2-ND1 3.34Å; W504-H507 VanDerWaalsContact CH2-ND1 3.34Å; W504-H507 WeakPolarHBondContact CH2-ND1 3.28Å; W504-H507 AromaticContact CZ3-CE1 3.67Å; W504-H507 AromaticContact CZ3-ND1 3.04Å; W504-H507 WeakPolarHBondContact CZ3-ND1 3.48Å; W504-H507 WeakPolarHBondContact O-CB 3.21Å; W504-H507 PolarHBondContact O-N 3.45Å; W504-H507 VanDerWaalsContact O-N 3.07Å; W504-C508 PolarHBondContact NE1-SG 3.24Å; W504-C508 PolarHBondContact O-N 2.98Å; W504-F547 HydrophobicContact CZ2-CD1 4.49Å; W504-F547 HydrophobicContact CZ2-CE1 4.05Å; W504-Q559 VanDerWaalsContact CH2-O 3.23Å; W504-Q559 WeakPolarHBondContact CH2-O 3.47Å; W504-Q559 WeakPolarHBondContact CZ3-O 3.37Å; W504-P563 HydrophobicContact CD2-CG 4.18Å; W504-P563 HydrophobicContact CG-CG 4.06Å; W504-P563 HydrophobicContact CZ2-CG 4.45Å; W504-P563 VanDerWaalsContact NE1-CG 3.3Å
505A53.4Low48.8Very low41 Ų41124 Ų12434%0.33955%0.55SS.*Hα-helixtrans-68.1-16.3173.700000113.4L503 R509L503-A505 PolarHBondContact O-N 3.19Å; A505-R509 PolarHBondContact O-NE 2.97Å; A505-R509 PolarHBondContact O-NH2 2.87Å
506A52.3Low49.4Very low55 Ų55120.2 Ų120.246%0.45555%0.545SS..Hα-helixtrans-88.2-37.2166.500000111L503 W504 R509 K510L503-A506 WeakPolarHBondContact O-CB 3.49Å; L503-A506 PolarHBondContact O-N 3.18Å; W504-A506 PolarHBondContact O-N 3.31Å; A506-R509 PolarHBondContact O-N 2.92Å; A506-K510 WeakPolarHBondContact O-CB 3.32Å; A506-K510 PolarHBondContact O-N 3.38Å
507H59.2Low49.5Very low74 Ų74115.2 Ų115.234%0.34354%0.544SS..Hα-helixtrans-61.6-48.7177.2-168.2-126.9000113.1L503 W504 R509 K510 I511L503-H507 PolarHBondContact O-N 2.75Å; W504-H507 HydrophobicContact CD2-CB 4.44Å; W504-H507 HydrophobicContact CE3-CB 4.16Å; W504-H507 AromaticContact CE3-ND1 3.48Å; W504-H507 AromaticContact CH2-CE1 3.87Å; W504-H507 AromaticContact CH2-ND1 3.34Å; W504-H507 VanDerWaalsContact CH2-ND1 3.34Å; W504-H507 WeakPolarHBondContact CH2-ND1 3.28Å; W504-H507 AromaticContact CZ3-CE1 3.67Å; W504-H507 AromaticContact CZ3-ND1 3.04Å; W504-H507 WeakPolarHBondContact CZ3-ND1 3.48Å; W504-H507 WeakPolarHBondContact O-CB 3.21Å; W504-H507 PolarHBondContact O-N 3.45Å; W504-H507 VanDerWaalsContact O-N 3.07Å; H507-R509 VanDerWaalsContact C-N 3.29Å; H507-R509 PolarHBondContact O-N 3.49Å; H507-K510 PolarHBondContact O-N 2.86Å; H507-I511 PolarHBondContact O-N 3.23Å
508C56.8Low49.2Very low8 Ų8107.7 Ų107.75%0.05452%0.517CS..Hα-helixtrans-55.8-44.3173.3-76.90000111.8W504 K510 I511 Q512W504-C508 PolarHBondContact NE1-SG 3.24Å; W504-C508 PolarHBondContact O-N 2.98Å; C508-K510 PolarHBondContact O-N 3.2Å; C508-I511 PolarHBondContact O-N 3.2Å; C508-Q512 VanDerWaalsContact O-CB 3.27Å; C508-Q512 WeakPolarHBondContact O-CB 3.44Å; C508-Q512 PolarHBondContact O-N 2.87Å
509R57.7Low49.5Very low140 Ų140102 Ų10253%0.52850%0.503SS..Hα-helixtrans-65.5-35.8175.9-81.5179.9-75.2-173.6-1.6112.4A505 A506 H507 Q512 L513 L580A505-R509 PolarHBondContact O-NE 2.97Å; A505-R509 PolarHBondContact O-NH2 2.87Å; A506-R509 PolarHBondContact O-N 2.92Å; H507-R509 VanDerWaalsContact C-N 3.29Å; H507-R509 PolarHBondContact O-N 3.49Å; R509-Q512 PolarHBondContact O-N 2.73Å; R509-L513 VanDerWaalsContact O-CB 3.23Å; R509-L513 WeakPolarHBondContact O-CB 3.31Å; R509-L513 WeakPolarHBondContact O-CD1 3.3Å; R509-L513 WeakPolarHBondContact O-CG 3.27Å; R509-L513 PolarHBondContact O-N 3.02Å; R509-L580 HydrophobicContact CG-CD2 4.07Å
510K53.1Low50.1Low151 Ų15198.5 Ų98.566%0.65750%0.501SS*.Hα-helixtrans-71.5-30.3176.1-166.4172.4-175.8177.10113.2A506 H507 C508 K514A506-K510 WeakPolarHBondContact O-CB 3.32Å; A506-K510 PolarHBondContact O-N 3.38Å; H507-K510 PolarHBondContact O-N 2.86Å; C508-K510 PolarHBondContact O-N 3.2Å; K510-K514 PolarHBondContact O-N 3.01Å
511I53.6Low51.6Low54 Ų5494.6 Ų94.628%0.27749%0.485SS..Hα-helixtrans-72.2-45.5170.2-70.9172.5000110.2H507 C508 K514 K515 F547H507-I511 PolarHBondContact O-N 3.23Å; C508-I511 PolarHBondContact O-N 3.2Å; I511-K514 WeakPolarHBondContact O-CB 3.48Å; I511-K514 PolarHBondContact O-N 3.38Å; I511-K514 VanDerWaalsContact O-N 3.11Å; I511-K515 PolarHBondContact O-N 3.02Å; I511-F547 HydrophobicContact CD1-CE1 3.84Å; I511-F547 HydrophobicContact CD1-CZ 4.2Å; I511-F547 HydrophobicContact CG2-CZ 4.28Å
512Q52.7Low53.4Low59 Ų5992.8 Ų92.828%0.27648%0.48SS..Hα-helixtrans-64.3-45.9-179.6-162.8161.214.500111.6C508 R509 K514 K515 D516 L580C508-Q512 VanDerWaalsContact O-CB 3.27Å; C508-Q512 WeakPolarHBondContact O-CB 3.44Å; C508-Q512 PolarHBondContact O-N 2.87Å; R509-Q512 PolarHBondContact O-N 2.73Å; Q512-K514 PolarHBondContact O-N 2.86Å; Q512-K515 WeakPolarHBondContact O-CA 3.29Å; Q512-K515 WeakPolarHBondContact O-CB 3.2Å; Q512-K515 PolarHBondContact O-N 2.87Å; Q512-D516 VanDerWaalsContact O-CG 3.23Å; Q512-D516 PolarHBondContact O-N 2.81Å; Q512-L580 PolarHBondContact NE2-O 3.15Å
513L46.2Very low55.4Low128 Ų12886.1 Ų86.167%0.6746%0.456SS*.Hα-helixtrans-65.2-19.3172.7-70.6167.1000114R509R509-L513 VanDerWaalsContact O-CB 3.23Å; R509-L513 WeakPolarHBondContact O-CB 3.31Å; R509-L513 WeakPolarHBondContact O-CD1 3.3Å; R509-L513 WeakPolarHBondContact O-CG 3.27Å; R509-L513 PolarHBondContact O-N 3.02Å
514K48.5Very low57.3Low160 Ų16081.8 Ų81.870%0.69643%0.433SS*.Hα-helixtrans-77.7-39166.8-91.1-165.8168.1-157.90111.4K510 I511 Q512 D516 G517K510-K514 PolarHBondContact O-N 3.01Å; I511-K514 WeakPolarHBondContact O-CB 3.48Å; I511-K514 PolarHBondContact O-N 3.38Å; I511-K514 VanDerWaalsContact O-N 3.11Å; Q512-K514 PolarHBondContact O-N 2.86Å; K514-D516 VanDerWaalsContact C-N 3.34Å; K514-G517 PolarHBondContact O-N 3.13Å
515K48.8Very low59.1Low66 Ų6680.1 Ų80.129%0.28743%0.427SS..Hα-helixtrans-65.2-38177.7-171.3166.3-174161.60111.9I511 Q512 G517 S518I511-K515 PolarHBondContact O-N 3.02Å; Q512-K515 WeakPolarHBondContact O-CA 3.29Å; Q512-K515 WeakPolarHBondContact O-CB 3.2Å; Q512-K515 PolarHBondContact O-N 2.87Å; K515-G517 PolarHBondContact O-N 2.81Å; K515-G517 VanDerWaalsContact O-N 3.07Å; K515-S518 PolarHBondContact O-N 2.81Å
516D45.1Very low60.9Low119 Ų11981.8 Ų81.864%0.63643%0.427SS*.THydrogen-bonded Turntrans-62.4-12.6175.3-57.6-31.9000113.4Q512 K514Q512-D516 VanDerWaalsContact O-CG 3.23Å; Q512-D516 PolarHBondContact O-N 2.81Å; K514-D516 VanDerWaalsContact C-N 3.34Å
517G36.3Very low62.8Low72 Ų7280.1 Ų80.174%0.74241%0.412SS*.THydrogen-bonded Turntrans-1065179.300000115.6K514 K515K514-G517 PolarHBondContact O-N 3.13Å; K515-G517 PolarHBondContact O-N 2.81Å; K515-G517 VanDerWaalsContact O-N 3.07Å
518S40.1Very low64.3Low50 Ų5076.8 Ų76.835%0.3540%0.397SS..SBendtrans-131.9155.3173.560.60000110.1K515K515-S518 PolarHBondContact O-N 2.81Å
519S47.3Very low65.9Low79 Ų7978.5 Ų78.555%0.55241%0.406SS*.  trans-50.2144.2-174.445.40000113.5H521S519-H521 WeakPolarHBondContact CB-ND1 3.43Å; S519-H521 PolarHBondContact O-N 2.87Å; S519-H521 PolarHBondContact OG-CE1 3.44Å; S519-H521 PolarHBondContact OG-ND1 2.99Å
520N57.6Low67.4Low155 Ų15573.5 Ų73.583%0.82939%0.388SS*.  trans-61.412.3-166.1-80.4-53000117.2V522N520-V522 PolarHBondContact O-N 3.09Å
521H74.3Confident69Low93 Ų9369.6 Ų69.643%0.43138%0.378SS..  trans-53.9127.9179.7-67.6114.5000112.7S519 Y523 N676S519-H521 WeakPolarHBondContact CB-ND1 3.43Å; S519-H521 PolarHBondContact O-N 2.87Å; S519-H521 PolarHBondContact OG-CE1 3.44Å; S519-H521 PolarHBondContact OG-ND1 2.99Å; H521-Y523 HydrophobicContact CB-CE2 4.1Å; H521-N676 WeakPolarHBondContact CA-OD1 3.38Å; H521-N676 VanDerWaalsContact CB-ND2 3.31Å; H521-N676 WeakPolarHBondContact CB-ND2 3.07Å; H521-N676 PolarHBondContact CD2-ND2 3.22Å
522V85.1Confident70.5Confident44 Ų4474.9 Ų74.927%0.26740%0.395SS..  trans-126.8117173.8-173.60000107.2N520 N675 N676 H711N520-V522 PolarHBondContact O-N 3.09Å; V522-N675 HydrophobicContact CB-CB 4.48Å; V522-N675 HydrophobicContact CG1-CB 4.46Å; V522-N675 WeakPolarHBondContact O-CB 3.35Å; V522-N676 PolarHBondContact N-OD1 3.23Å; V522-N676 WeakPolarHBondContact O-CB 3.47Å; V522-N676 PolarHBondContact O-N 2.86Å; V522-N676 PolarHBondContact O-OD1 3.34Å; V522-H711 WeakPolarHBondContact CG1-NE2 3.49Å
523Y89.6Confident72.2Confident102 Ų10278 Ų7840%0.441%0.409SS..PPolyproline II helixtrans-95.4151.5176.8-62.5-81.5000110.5H521 N546 N676 D677 H711H521-Y523 HydrophobicContact CB-CE2 4.1Å; Y523-N546 PolarHBondContact O-ND2 3.4Å; Y523-N676 HydrophobicContact CD1-CB 4.07Å; Y523-N676 HydrophobicContact CE1-CB 4.15Å; Y523-N676 WeakPolarHBondContact CE1-ND2 3.4Å; Y523-D677 WeakPolarHBondContact CD1-OD1 3.29Å; Y523-H711 PolarHBondContact O-CE1 3.33Å
524N91.6Very high74.5Confident31 Ų3175.5 Ų75.517%0.16640%0.401CS..PPolyproline II helixtrans-69.5148.5-179.2-163.521.6000112.1Q526 D677 F678 H711N524-Q526 PolarHBondContact O-N 3.38Å; N524-D677 HydrophobicContact CB-CB 4.39Å; N524-D677 WeakPolarHBondContact CB-OD2 3.49Å; N524-D677 PolarHBondContact N-OD2 3.21Å; N524-F678 HydrophobicContact CB-CD2 3.95Å; N524-F678 HydrophobicContact CB-CE2 3.96Å; N524-F678 VanDerWaalsContact ND2-CE2 3.3Å; N524-F678 WeakPolarHBondContact ND2-CE2 3.36Å; N524-H711 PolarHBondContact OD1-ND1 3.43Å
525Y92.4Very high76.6Confident1 Ų169.1 Ų69.10%0.00438%0.376CS..PPolyproline II helixtrans-80.7118.9-177.8165.9-96.2000112.1R288 P527 E549 F551 C552 G709R288-Y525 PolarHBondContact NH1-O 2.79Å; Y525-P527 HydrophobicContact CE1-CG 3.95Å; Y525-P527 VanDerWaalsContact OH-CA 3.31Å; Y525-P527 WeakPolarHBondContact OH-CA 3.29Å; Y525-P527 WeakPolarHBondContact OH-CB 3.32Å; Y525-E549 HydrophobicContact CD1-CG 4.13Å; Y525-E549 HydrophobicContact CD2-CG 3.92Å; Y525-E549 HydrophobicContact CE1-CB 4.01Å; Y525-E549 HydrophobicContact CE1-CG 3.82Å; Y525-E549 HydrophobicContact CE2-CB 4Å; Y525-E549 HydrophobicContact CE2-CG 3.59Å; Y525-E549 HydrophobicContact CG-CG 4.19Å; Y525-E549 WeakPolarHBondContact OH-CB 3.46Å; Y525-F551 AromaticContact CE1-CD2 3.99Å; Y525-F551 HydrophobicContact CE1-CD2 3.99Å; Y525-C552 PolarHBondContact OH-SG 3.16Å; Y525-G709 WeakPolarHBondContact CD1-O 3.23Å
526Q90.6Very high78.6Confident76 Ų7669.1 Ų69.136%0.35538%0.379SS..  trans-115133.1168.5-60.9-176.135.600109.6F304 N524 C528F304-Q526 HydrophobicContact CE2-CB 4.23Å; F304-Q526 HydrophobicContact CE2-CG 4.33Å; N524-Q526 PolarHBondContact O-N 3.38Å; Q526-C528 PolarHBondContact O-N 3.37Å
527P91.8Very high80.9Confident21 Ų2168.3 Ų68.314%0.13638%0.383CS..  trans-62.5132.6175.6-20.530.6000112.7Y525 F551Y525-P527 HydrophobicContact CE1-CG 3.95Å; Y525-P527 VanDerWaalsContact OH-CA 3.31Å; Y525-P527 WeakPolarHBondContact OH-CA 3.29Å; Y525-P527 WeakPolarHBondContact OH-CB 3.32Å; P527-F551 HydrophobicContact CB-CB 4.19Å; P527-F551 HydrophobicContact CG-CB 3.88Å
528C90.8Very high83.6Confident3 Ų368.5 Ų68.52%0.0237%0.373CS..  trans-85.3140.6172.665.30000112.4Q526 C539 C541 C552 Q553Q526-C528 PolarHBondContact O-N 3.37Å; C528-C539 VanDerWaalsContact SG-SG 3.63Å; C528-C541 VanDerWaalsContact SG-SG 3.63Å; C528-C552 PolarHBondContact N-SG 3.46Å; C528-C552 CarbonylContact O-C 3.55Å; C528-C552 WeakPolarHBondContact O-CA 3.39Å; C528-C552 VanDerWaalsContact SG-SG 3.6Å; C528-Q553 PolarHBondContact O-N 3.3Å
529D90Very high86.1Confident45 Ų4566.1 Ų66.124%0.24136%0.356CS..  trans-137.6112.8170.8-167.7-13000107.5T307 N309 Q553T307-D529 WeakPolarHBondContact CB-OD2 3.36Å; T307-D529 HydrophobicContact CG2-CB 4.09Å; T307-D529 PolarHBondContact OG1-OD2 3.21Å; N309-D529 WeakPolarHBondContact CB-OD2 3.43Å; N309-D529 PolarHBondContact ND2-OD1 3.24Å; N309-D529 PolarHBondContact ND2-OD2 3.25Å; N309-D529 VanDerWaalsContact ND2-OD2 3.09Å; D529-Q553 HydrophobicContact CB-CB 4.16Å; D529-Q553 HydrophobicContact CB-CG 4.26Å
530H88.8Confident88.3Confident34 Ų3466 Ų6616%0.15735%0.353CS..  trans-147.283.6-179.546.172.7000108.3R532 Q533 P534 C535 C539H530-R532 PolarHBondContact O-N 3.23Å; H530-Q533 HydrophobicContact CB-CB 4.43Å; H530-Q533 PolarHBondContact CE1-O 3.48Å; H530-Q533 PolarHBondContact ND1-O 2.9Å; H530-Q533 PolarHBondContact O-N 3.08Å; H530-P534 PolarHBondContact CE1-O 3.25Å; H530-C535 PolarHBondContact CE1-SG 2.97Å; H530-C535 PolarHBondContact NE2-SG 3.13Å; H530-C535 VanDerWaalsContact NE2-SG 3.38Å; H530-C539 PolarHBondContact NE2-SG 3.05Å
531P87.6Confident89.9Confident70 Ų7058.7 Ų58.746%0.45532%0.315SS..THydrogen-bonded Turntrans-54.2139.2-170.3-30.838.1000113.5N309 Q533N309-P531 WeakPolarHBondContact ND2-CG 3.29Å; P531-Q533 PolarHBondContact O-N 2.99Å
532R84.7Confident90.7Very high164 Ų16456.6 Ų56.662%0.61931%0.308SS*.THydrogen-bonded Turntrans62.7-5.2-179.3-49.1179.4-170.3-83.7-8.3115.8D489 H530D489-R532 VanDerWaalsContact O-CZ 3.27Å; D489-R532 PolarHBondContact O-NH1 3.3Å; D489-R532 PolarHBondContact O-NH2 2.85Å; H530-R532 PolarHBondContact O-N 3.23Å
533Q89.5Confident91Very high124 Ų12459.9 Ų59.958%0.57932%0.323SS*.  trans-99.4147.2178.5-62.2-64.10.800113.3H530 P531H530-Q533 HydrophobicContact CB-CB 4.43Å; H530-Q533 PolarHBondContact CE1-O 3.48Å; H530-Q533 PolarHBondContact ND1-O 2.9Å; H530-Q533 PolarHBondContact O-N 3.08Å; P531-Q533 PolarHBondContact O-N 2.99Å
534P93Very high90.9Very high76 Ų7656.1 Ų56.149%0.49431%0.313SS..  trans-74.4166.8174.234-36.1000112H530 D536H530-P534 PolarHBondContact CE1-O 3.25Å; P534-D536 VanDerWaalsContact C-N 3.35Å; P534-D536 PolarHBondContact O-N 2.81Å; P534-D536 VanDerWaalsContact O-N 3.16Å
535C93.3Very high90.9Very high26 Ų2659.7 Ų59.718%0.17633%0.329CS..SBendtrans-84.381.2167.3-62.30000110.1H530 C539 V542 C548 C554 C558 N560H530-C535 PolarHBondContact CE1-SG 2.97Å; H530-C535 PolarHBondContact NE2-SG 3.13Å; H530-C535 VanDerWaalsContact NE2-SG 3.38Å; C535-C539 HydrophobicContact CB-CB 3.98Å; C535-V542 HydrophobicContact CB-CG2 4.37Å; C535-C548 VanDerWaalsContact SG-SG 3.7Å; C535-C554 WeakPolarHBondContact SG-CB 3.44Å; C535-C554 PolarHBondContact SG-SG 3.33Å; C535-C558 VanDerWaalsContact CB-SG 3.53Å; C535-C558 PolarHBondContact SG-SG 3.31Å; C535-N560 HydrophobicContact CB-CB 4.42Å
536D91.9Very high90.8Very high66 Ų6660.7 Ų60.735%0.35333%0.334SS..SBendtrans-97.5-159.8171.762.534.7000111.4P534 S538 C539 V542P534-D536 VanDerWaalsContact C-N 3.35Å; P534-D536 PolarHBondContact O-N 2.81Å; P534-D536 VanDerWaalsContact O-N 3.16Å; D536-S538 PolarHBondContact O-N 3.47Å; D536-S538 VanDerWaalsContact OD1-CB 3.31Å; D536-S538 WeakPolarHBondContact OD1-CB 3.42Å; D536-S538 PolarHBondContact OD1-N 2.65Å; D536-S538 PolarHBondContact OD1-OG 2.72Å; D536-C539 WeakPolarHBondContact O-CB 3.4Å; D536-C539 PolarHBondContact O-N 3.01Å; D536-V542 WeakPolarHBondContact O-CB 3.22Å; D536-V542 WeakPolarHBondContact O-CG2 3.18Å
537S92.4Very high91Very high102 Ų10258.4 Ų58.471%0.71332%0.323SS*.THydrogen-bonded Turntrans-63.6-13.6178.646.30000115.2I543S537-I543 VanDerWaalsContact O-CG1 3.26Å; S537-I543 WeakPolarHBondContact O-CG1 3.31Å
538S93.6Very high91.1Very high77 Ų7757.5 Ų57.554%0.53832%0.317SS..THydrogen-bonded Turntrans-83.5-13.2171.669.40000113.4D536D536-S538 PolarHBondContact O-N 3.47Å; D536-S538 VanDerWaalsContact OD1-CB 3.31Å; D536-S538 WeakPolarHBondContact OD1-CB 3.42Å; D536-S538 PolarHBondContact OD1-N 2.65Å; D536-S538 PolarHBondContact OD1-OG 2.72Å
539C93.1Very high91.3Very high0 Ų057.5 Ų57.50%032%0.317CS..SBendtrans-72.9126.8-175.1-177.70000111.5C528 H530 C535 D536 C541 V542 I543C528-C539 VanDerWaalsContact SG-SG 3.63Å; H530-C539 PolarHBondContact NE2-SG 3.05Å; C535-C539 HydrophobicContact CB-CB 3.98Å; D536-C539 WeakPolarHBondContact O-CB 3.4Å; D536-C539 PolarHBondContact O-N 3.01Å; C539-C541 PolarHBondContact O-N 3.47Å; C539-C541 VanDerWaalsContact O-N 3.11Å; C539-V542 HydrophobicContact CB-CB 4.09Å; C539-V542 HydrophobicContact CB-CG2 3.84Å; C539-V542 WeakPolarHBondContact O-CA 3.23Å; C539-V542 PolarHBondContact O-N 3.07Å; C539-I543 WeakPolarHBondContact O-CG1 3.4Å; C539-I543 PolarHBondContact O-N 3.45Å
540P91.9Very high91.3Very high75 Ų7557.8 Ų57.849%0.48732%0.316SS..Hα-helixtrans-53-36.9179.6-30.336.3000114.4A544P540-A544 VanDerWaalsContact O-CB 3.22Å; P540-A544 WeakPolarHBondContact O-CB 3.32Å; P540-A544 PolarHBondContact O-N 3.3Å
541C91.4Very high91.5Very high3 Ų356.7 Ų56.72%0.0231%0.311CS..Hα-helixtrans-65-41.9175.3-55.80000111.9C528 C539 A544 Q545 N546C528-C541 VanDerWaalsContact SG-SG 3.63Å; C539-C541 PolarHBondContact O-N 3.47Å; C539-C541 VanDerWaalsContact O-N 3.11Å; C541-A544 CarbonylContact O-C 3.42Å; C541-A544 PolarHBondContact O-N 2.82Å; C541-Q545 PolarHBondContact O-N 3.06Å; C541-N546 CarbonylContact C-O 3.54Å; C541-N546 WeakPolarHBondContact O-CA 3.35Å; C541-N546 PolarHBondContact O-N 3.14Å
542V91.7Very high91.7Very high49 Ų4953.5 Ų53.530%0.29729%0.29SS..Hα-helixtrans-70.3-41.2-179.4178.40000110.9C535 D536 C539 Q545 N560C535-V542 HydrophobicContact CB-CG2 4.37Å; D536-V542 WeakPolarHBondContact O-CB 3.22Å; D536-V542 WeakPolarHBondContact O-CG2 3.18Å; C539-V542 HydrophobicContact CB-CB 4.09Å; C539-V542 HydrophobicContact CB-CG2 3.84Å; C539-V542 WeakPolarHBondContact O-CA 3.23Å; C539-V542 PolarHBondContact O-N 3.07Å; V542-Q545 PolarHBondContact O-N 3.03Å; V542-Q545 VanDerWaalsContact O-N 3.07Å; V542-N560 HydrophobicContact CG2-CB 4.28Å
543I91.3Very high92Very high113 Ų11349.2 Ų49.258%0.57928%0.277SS*.Hα-helixtrans-58.5-47.6173.9-64.6167.6000110.2S537 C539 Q545S537-I543 VanDerWaalsContact O-CG1 3.26Å; S537-I543 WeakPolarHBondContact O-CG1 3.31Å; C539-I543 WeakPolarHBondContact O-CG1 3.4Å; C539-I543 PolarHBondContact O-N 3.45Å; I543-Q545 PolarHBondContact O-N 3.03Å; I543-Q545 VanDerWaalsContact O-N 3.1Å
544A88.6Confident92Very high22 Ų2243.9 Ų43.918%0.18225%0.253CS..THydrogen-bonded Turntrans-72.56.7176.300000114.7P540 C541 N546P540-A544 VanDerWaalsContact O-CB 3.22Å; P540-A544 WeakPolarHBondContact O-CB 3.32Å; P540-A544 PolarHBondContact O-N 3.3Å; C541-A544 CarbonylContact O-C 3.42Å; C541-A544 PolarHBondContact O-N 2.82Å; A544-N546 HydrophobicContact CB-CB 4.47Å; A544-N546 PolarHBondContact O-N 3.02Å; A544-N546 VanDerWaalsContact O-N 3.1Å
545Q89.9Confident91.8Very high106 Ų10642.8 Ų42.850%0.49525%0.247SC..THydrogen-bonded Turntrans51.926.5-173.5-53.6-167.714.700114.9C541 V542 I543C541-Q545 PolarHBondContact O-N 3.06Å; V542-Q545 PolarHBondContact O-N 3.03Å; V542-Q545 VanDerWaalsContact O-N 3.07Å; I543-Q545 PolarHBondContact O-N 3.03Å; I543-Q545 VanDerWaalsContact O-N 3.1Å
546N92.1Very high91.5Very high22 Ų2243.7 Ų43.712%0.11825%0.254CS..  trans-101.4147.5-178.4-87.1-46.3000111.9Y523 C541 A544 N560Y523-N546 PolarHBondContact O-ND2 3.4Å; C541-N546 CarbonylContact C-O 3.54Å; C541-N546 WeakPolarHBondContact O-CA 3.35Å; C541-N546 PolarHBondContact O-N 3.14Å; A544-N546 HydrophobicContact CB-CB 4.47Å; A544-N546 PolarHBondContact O-N 3.02Å; A544-N546 VanDerWaalsContact O-N 3.1Å; N546-N560 PolarHBondContact O-ND2 3.46Å
547F94.4Very high91.4Very high29 Ų2946.1 Ų46.113%0.12726%0.263CS..  trans-71.3151.1170.5-67.6-73.6000111.1W504 I511 E549 N560 F562W504-F547 HydrophobicContact CZ2-CD1 4.49Å; W504-F547 HydrophobicContact CZ2-CE1 4.05Å; I511-F547 HydrophobicContact CD1-CE1 3.84Å; I511-F547 HydrophobicContact CD1-CZ 4.2Å; I511-F547 HydrophobicContact CG2-CZ 4.28Å; F547-E549 PolarHBondContact O-N 2.64Å; F547-N560 WeakPolarHBondContact CA-O 3.25Å; F547-F562 HydrophobicContact CB-CB 3.97Å; F547-F562 HydrophobicContact CD1-CD2 4.5Å; F547-F562 AromaticContact CD2-CD2 3.99Å; F547-F562 HydrophobicContact CD2-CD2 3.99Å; F547-F562 HydrophobicContact CE2-CD2 4.17Å; F547-F562 HydrophobicContact CG-CB 4.21Å; F547-F562 HydrophobicContact CG-CD2 4.17Å
548C94.1Very high91.3Very high1 Ų142.1 Ų42.11%0.00724%0.235CC..BIsolated β-bridgetrans-78.3114.8171.8-65.90000110.3C535 C552 N560 R561 F562C535-C548 VanDerWaalsContact SG-SG 3.7Å; C548-C552 HydrophobicContact CB-CB 4.29Å; C548-N560 PolarHBondContact N-O 3.43Å; C548-N560 PolarHBondContact SG-ND2 3.45Å; C548-R561 HydrophobicContact CB-CG 3.77Å; C548-R561 VanDerWaalsContact O-CA 3.26Å; C548-R561 WeakPolarHBondContact O-CA 3.34Å; C548-F562 PolarHBondContact O-N 2.87Å
549E93.5Very high91.1Very high4 Ų445.4 Ų45.42%0.01924%0.242CC..  trans-83.9173179.7-53.9-57.3154.500112.8Y525 F547 F551 C552 R561 R583Y525-E549 HydrophobicContact CD1-CG 4.13Å; Y525-E549 HydrophobicContact CD2-CG 3.92Å; Y525-E549 HydrophobicContact CE1-CB 4.01Å; Y525-E549 HydrophobicContact CE1-CG 3.82Å; Y525-E549 HydrophobicContact CE2-CB 4Å; Y525-E549 HydrophobicContact CE2-CG 3.59Å; Y525-E549 HydrophobicContact CG-CG 4.19Å; Y525-E549 WeakPolarHBondContact OH-CB 3.46Å; F547-E549 PolarHBondContact O-N 2.64Å; E549-F551 HydrophobicContact CB-CD2 3.86Å; E549-F551 HydrophobicContact CB-CE2 4.37Å; E549-F551 PolarHBondContact O-N 3.13Å; E549-C552 PolarHBondContact O-N 3.05Å; E549-R561 PolarHBondContact O-NH1 3.38Å; E549-R583 IonicContact OE1-CZ 3.82Å; E549-R583 IonicContact OE1-NH1 2.71Å; E549-R583 PolarHBondContact OE1-NH1 2.94Å; E549-R583 IonicContact OE1-NH2 3.18Å; E549-R583 PolarHBondContact OE1-NH2 3.1Å; E549-R583 IonicContact OE2-CZ 2.66Å; E549-R583 IonicContact OE2-NH1 2.74Å; E549-R583 IonicContact OE2-NH2 2.83Å; E549-R583 PolarHBondContact OE2-NH2 3.4Å
550K91.2Very high91.1Very high50 Ų5046.8 Ų46.822%0.21725%0.249CC..THydrogen-bonded Turntrans-53-10.8173.862-174.1169.6-168.60115.9D586 D588 N708K550-D586 VanDerWaalsContact CD-OD2 3.31Å; K550-D586 WeakPolarHBondContact CD-OD2 3.19Å; K550-D586 WeakPolarHBondContact CE-OD2 3.23Å; K550-D586 IonicContact NZ-OD1 2.74Å; K550-D586 PolarHBondContact NZ-OD1 2.82Å; K550-D586 IonicContact NZ-OD2 3.11Å; K550-D586 PolarHBondContact NZ-OD2 2.93Å; K550-D588 HydrophobicContact CD-CB 3.98Å; K550-D588 VanDerWaalsContact CD-OD2 3.26Å; K550-D588 WeakPolarHBondContact CD-OD2 3.44Å; K550-D588 WeakPolarHBondContact CE-OD2 3.47Å; K550-D588 IonicContact NZ-OD2 3.52Å; K550-D588 PolarHBondContact NZ-OD2 3.27Å; K550-N708 PolarHBondContact NZ-OD1 3.47Å
551F92.4Very high91.2Very high11 Ų1145.3 Ų45.35%0.04823%0.234CC..THydrogen-bonded Turntrans-95.6-17.1177.9-42.5-77000114.2R288 Y525 P527 E549 Q553 N708R288-F551 HydrophobicContact CB-CE1 4.26Å; R288-F551 HydrophobicContact CB-CZ 4.45Å; R288-F551 HydrophobicContact CG-CD1 4.05Å; R288-F551 HydrophobicContact CG-CD2 4.42Å; R288-F551 HydrophobicContact CG-CE1 4.19Å; R288-F551 HydrophobicContact CG-CG 4.15Å; R288-F551 HydrophobicContact CG-CZ 4.42Å; Y525-F551 AromaticContact CE1-CD2 3.99Å; Y525-F551 HydrophobicContact CE1-CD2 3.99Å; P527-F551 HydrophobicContact CB-CB 4.19Å; P527-F551 HydrophobicContact CG-CB 3.88Å; E549-F551 HydrophobicContact CB-CD2 3.86Å; E549-F551 HydrophobicContact CB-CE2 4.37Å; E549-F551 PolarHBondContact O-N 3.13Å; F551-Q553 PolarHBondContact O-NE2 3.47Å; F551-N708 WeakPolarHBondContact CE2-O 3.25Å
552C91.3Very high91.3Very high3 Ų345.5 Ų45.52%0.0224%0.235CC..  trans-66.8146.2174.6-60.30000111Y525 C528 C548 E549 R561Y525-C552 PolarHBondContact OH-SG 3.16Å; C528-C552 PolarHBondContact N-SG 3.46Å; C528-C552 CarbonylContact O-C 3.55Å; C528-C552 WeakPolarHBondContact O-CA 3.39Å; C528-C552 VanDerWaalsContact SG-SG 3.6Å; C548-C552 HydrophobicContact CB-CB 4.29Å; E549-C552 PolarHBondContact O-N 3.05Å; C552-R561 PolarHBondContact O-NH2 3.07Å
553Q91.1Very high91.2Very high74 Ų7446 Ų4635%0.34624%0.239SC..  trans-91.63.8179.1-57.6-50.6-32.400114.5N309 T310 C528 D529 F551N309-Q553 HydrophobicContact CB-CG 4.38Å; T310-Q553 PolarHBondContact OG1-NE2 2.97Å; C528-Q553 PolarHBondContact O-N 3.3Å; D529-Q553 HydrophobicContact CB-CB 4.16Å; D529-Q553 HydrophobicContact CB-CG 4.26Å; F551-Q553 PolarHBondContact O-NE2 3.47Å
554C89.4Confident91.2Very high12 Ų1240.7 Ų40.78%0.08121%0.212CC..SBendtrans-66.5164.8173.263.20000113.1C535 R561C535-C554 WeakPolarHBondContact SG-CB 3.44Å; C535-C554 PolarHBondContact SG-SG 3.33Å; C554-R561 PolarHBondContact O-NH2 2.89Å; C554-R561 PolarHBondContact SG-NH2 2.7Å
555S89.9Confident91.5Very high53 Ų5339.7 Ų39.737%0.37120%0.204SC..  trans-45.1144.2-177.4177.70000114.5E557 C558 R561S555-E557 PolarHBondContact O-N 3.49Å; S555-E557 PolarHBondContact OG-N 2.97Å; S555-C558 WeakPolarHBondContact O-CB 3.28Å; S555-C558 PolarHBondContact O-N 3.38Å; S555-R561 WeakPolarHBondContact O-CD 3.27Å; S555-R561 PolarHBondContact O-NE 2.98Å
556S87.4Confident91.7Very high46 Ų4643.5 Ų43.532%0.32221%0.214SC..THydrogen-bonded Turntrans-61.9-26.7177.363.20000113.5
557E88.6Confident91.8Very high116 Ų11643.7 Ų43.754%0.54222%0.217SC..THydrogen-bonded Turntrans-99.217.8177-51-53.4130.500112.2S555 Q559S555-E557 PolarHBondContact O-N 3.49Å; S555-E557 PolarHBondContact OG-N 2.97Å; E557-Q559 PolarHBondContact O-N 2.77Å; E557-Q559 PolarHBondContact O-NE2 3.46Å
558C90Very high91.7Very high19 Ų1951.8 Ų51.813%0.12825%0.252CS..  trans-58.1126.2177.8165.70000111.5C535 S555 N560 R561C535-C558 VanDerWaalsContact CB-SG 3.53Å; C535-C558 PolarHBondContact SG-SG 3.31Å; S555-C558 WeakPolarHBondContact O-CB 3.28Å; S555-C558 PolarHBondContact O-N 3.38Å; C558-N560 PolarHBondContact O-N 2.98Å; C558-R561 HydrophobicContact CB-CG 3.85Å; C558-R561 WeakPolarHBondContact O-CB 3.38Å; C558-R561 PolarHBondContact O-N 2.79Å
559Q89.9Confident91.6Very high146 Ų14653.7 Ų53.768%0.68227%0.268SS*.THydrogen-bonded Turntrans-71.9-11.3-172.9-59.9-59.6-74.200114.3W504 E557W504-Q559 VanDerWaalsContact CH2-O 3.23Å; W504-Q559 WeakPolarHBondContact CH2-O 3.47Å; W504-Q559 WeakPolarHBondContact CZ3-O 3.37Å; E557-Q559 PolarHBondContact O-N 2.77Å; E557-Q559 PolarHBondContact O-NE2 3.46Å
560N92.3Very high91.6Very high28 Ų2857.8 Ų57.815%0.1529%0.287CS..THydrogen-bonded Turntrans-91.61.4170.6-165.944000113.1C535 V542 N546 F547 C548 C558C535-N560 HydrophobicContact CB-CB 4.42Å; V542-N560 HydrophobicContact CG2-CB 4.28Å; N546-N560 PolarHBondContact O-ND2 3.46Å; F547-N560 WeakPolarHBondContact CA-O 3.25Å; C548-N560 PolarHBondContact N-O 3.43Å; C548-N560 PolarHBondContact SG-ND2 3.45Å; C558-N560 PolarHBondContact O-N 2.98Å
561R93.9Very high91.8Very high44 Ų4455.6 Ų55.617%0.16628%0.278CS..BIsolated β-bridgetrans-74.5135.8179-72.7-178.6170.3-74.67.4112.1C548 E549 C552 C554 S555 C558 P563C548-R561 HydrophobicContact CB-CG 3.77Å; C548-R561 VanDerWaalsContact O-CA 3.26Å; C548-R561 WeakPolarHBondContact O-CA 3.34Å; E549-R561 PolarHBondContact O-NH1 3.38Å; C552-R561 PolarHBondContact O-NH2 3.07Å; C554-R561 PolarHBondContact O-NH2 2.89Å; C554-R561 PolarHBondContact SG-NH2 2.7Å; S555-R561 WeakPolarHBondContact O-CD 3.27Å; S555-R561 PolarHBondContact O-NE 2.98Å; C558-R561 HydrophobicContact CB-CG 3.85Å; C558-R561 WeakPolarHBondContact O-CB 3.38Å; C558-R561 PolarHBondContact O-N 2.79Å; R561-P563 WeakPolarHBondContact O-CD 3.34Å
562F93.9Very high91.9Very high7 Ų758.6 Ų58.63%0.03129%0.294CS..  trans-73.6123.7170.8-166.2-95.4000109.9F547 C548 A581 L589F547-F562 HydrophobicContact CB-CB 3.97Å; F547-F562 HydrophobicContact CD1-CD2 4.5Å; F547-F562 AromaticContact CD2-CD2 3.99Å; F547-F562 HydrophobicContact CD2-CD2 3.99Å; F547-F562 HydrophobicContact CE2-CD2 4.17Å; F547-F562 HydrophobicContact CG-CB 4.21Å; F547-F562 HydrophobicContact CG-CD2 4.17Å; C548-F562 PolarHBondContact O-N 2.87Å; F562-A581 HydrophobicContact CE2-CB 4.17Å; F562-L589 WeakPolarHBondContact O-CD1 3.04Å
563P89.7Confident92Very high60 Ų6061.5 Ų61.539%0.3931%0.312SS..  trans-92.55.5-169.636.6-37.5000114.8W504 R561W504-P563 HydrophobicContact CD2-CG 4.18Å; W504-P563 HydrophobicContact CG-CG 4.06Å; W504-P563 HydrophobicContact CZ2-CG 4.45Å; W504-P563 VanDerWaalsContact NE1-CG 3.3Å; R561-P563 WeakPolarHBondContact O-CD 3.34Å
564G92.7Very high92Very high1 Ų166 Ų661%0.0133%0.331CS..  trans75.3-159.3-171.600000113.4
565C92.9Very high92.1Very high2 Ų274 Ų741%0.01437%0.367CS..  trans-124.9163.7175.874.90000112.4P577 C590C565-P577 HydrophobicContact CB-CG 3.74Å; C565-C590 PolarHBondContact N-SG 2.8Å; C565-C590 VanDerWaalsContact N-SG 3.42Å
566R94.8Very high92.4Very high185 Ų18571.5 Ų71.570%0.69835%0.349SS*.  trans-122.932.1175-63.2-177.5176.1-128.4-4.3112T592R566-T592 WeakPolarHBondContact CA-OG1 3.41Å
567C94.8Very high92.7Very high27 Ų2770.3 Ų70.318%0.18234%0.34CS..  trans-72.4155.7177.2-61.70000110.1C571 T592 C593C567-C571 WeakPolarHBondContact CB-SG 3.36Å; C567-T592 CarbonylContact O-C 3.46Å; C567-T592 PolarHBondContact O-OG1 3.23Å; C567-C593 HydrophobicContact CB-CB 4.14Å; C567-C593 WeakPolarHBondContact O-CA 3.23Å; C567-C593 WeakPolarHBondContact O-CB 3.38Å; C567-C593 PolarHBondContact O-N 2.99Å
568K92.8Very high93Very high199 Ų19964.8 Ų64.887%0.86531%0.314SS*.SBendtrans-83.2-34.1176-65.3-172.4177.7-174.40113.3
569A92.1Very high93.2Very high41 Ų4166.7 Ų66.734%0.33932%0.319SS..SBendtrans-165.8178.6-177.300000110.4C571A569-C571 PolarHBondContact O-N 2.94Å
570Q92.4Very high93.3Very high89 Ų8961.7 Ų61.742%0.41630%0.297SS..BIsolated β-bridgetrans62.9-57.8171.2-55.8-65.7-16.900115.3N572 S605 K607Q570-N572 WeakPolarHBondContact CB-OD1 3.06Å; Q570-N572 PolarHBondContact O-N 3.11Å; Q570-S605 WeakPolarHBondContact CA-O 3.5Å; Q570-S605 PolarHBondContact N-O 2.97Å; Q570-K607 WeakPolarHBondContact O-CA 3.49Å; Q570-K607 WeakPolarHBondContact O-CB 3.46Å; Q570-K607 PolarHBondContact O-N 3.18Å
571C95.4Very high93.2Very high5 Ų561.6 Ų61.63%0.03430%0.3CS..  trans56.117.5178.6-720000115.6C567 A569 C576 Y579 C593 N608C567-C571 WeakPolarHBondContact CB-SG 3.36Å; A569-C571 PolarHBondContact O-N 2.94Å; C571-C576 HydrophobicContact CB-CB 4.29Å; C571-Y579 VanDerWaalsContact O-CB 3.22Å; C571-Y579 WeakPolarHBondContact O-CB 3.47Å; C571-C593 WeakPolarHBondContact SG-CB 3.32Å; C571-N608 HydrophobicContact CB-CB 3.68Å; C571-N608 WeakPolarHBondContact O-CB 3.45Å
572N94.3Very high93.2Very high73 Ų7361.9 Ų61.939%0.3931%0.307SS..  trans-101.517.8-172.560.8-7.8000114.4Q570Q570-N572 WeakPolarHBondContact CB-OD1 3.06Å; Q570-N572 PolarHBondContact O-N 3.11Å
573T93.3Very high93.4Very high64 Ų6462 Ų6239%0.39331%0.307SS..SBendtrans-130.6163.5-179.274.40000111.7Q575 C576 Y579T573-Q575 PolarHBondContact O-N 3.16Å; T573-Q575 PolarHBondContact OG1-N 3.35Å; T573-C576 WeakPolarHBondContact O-CB 3.22Å; T573-C576 PolarHBondContact O-N 2.55Å; T573-Y579 VanDerWaalsContact C-CD1 3.49Å
574K92.1Very high93.7Very high170 Ų17059.5 Ų59.574%0.73929%0.29SS*.THydrogen-bonded Turntrans-59.6-6.7175.9-65.4-173.5179.7-176.90114.6C576 L580K574-C576 VanDerWaalsContact C-N 3.34Å; K574-L580 HydrophobicContact CB-CD1 4.22Å; K574-L580 HydrophobicContact CD-CD1 4.44Å; K574-L580 HydrophobicContact CG-CD1 4.16Å
575Q91.9Very high93.9Very high179 Ų17959.5 Ų59.584%0.83629%0.29SS*.THydrogen-bonded Turntrans-74.4-24.8170.4-59.4-177.33.400112.6T573T573-Q575 PolarHBondContact O-N 3.16Å; T573-Q575 PolarHBondContact OG1-N 3.35Å
576C94.9Very high94.1Very high1 Ų159.5 Ų59.51%0.00729%0.29CS..SBendtrans-85123.2176.9-178.70000110.3C571 T573 K574 C578 Y579 L580C571-C576 HydrophobicContact CB-CB 4.29Å; T573-C576 WeakPolarHBondContact O-CB 3.22Å; T573-C576 PolarHBondContact O-N 2.55Å; K574-C576 VanDerWaalsContact C-N 3.34Å; C576-C578 VanDerWaalsContact C-N 3.27Å; C576-C578 PolarHBondContact O-N 3.28Å; C576-Y579 PolarHBondContact O-N 3.26Å; C576-L580 WeakPolarHBondContact O-CB 3.31Å; C576-L580 PolarHBondContact O-N 3.12Å
577P93.3Very high94.2Very high20 Ų2051.6 Ų51.613%0.1326%0.262CS..Hα-helixtrans-65.3-28.5-179.526.4-34.6000112.8C565 A581C565-P577 HydrophobicContact CB-CG 3.74Å; P577-A581 WeakPolarHBondContact O-CB 3.38Å; P577-A581 PolarHBondContact O-N 2.73Å; P577-A581 VanDerWaalsContact O-N 3.12Å
578C94.7Very high94.2Very high0 Ų054.6 Ų54.60%028%0.277CS..Hα-helixtrans-64-55.2173.8-56.70000110.7C576 L580 A581 V582 R583C576-C578 VanDerWaalsContact C-N 3.27Å; C576-C578 PolarHBondContact O-N 3.28Å; C578-L580 PolarHBondContact O-N 2.72Å; C578-A581 CarbonylContact O-C 3.2Å; C578-A581 PolarHBondContact O-N 3.27Å; C578-V582 PolarHBondContact O-N 2.6Å; C578-V582 VanDerWaalsContact O-N 3.16Å; C578-R583 CarbonylContact C-O 3.6Å; C578-R583 VanDerWaalsContact C-O 3.27Å; C578-R583 HydrophobicContact CB-CB 4.42Å; C578-R583 WeakPolarHBondContact O-CB 3.43Å; C578-R583 PolarHBondContact O-N 3.09Å
579Y94.9Very high94.2Very high60 Ų6047.3 Ų47.324%0.23525%0.247CC..Hα-helixtrans-63.6-40.8-177.7-174.4-89.7000112.9C571 T573 C576 A581 V582C571-Y579 VanDerWaalsContact O-CB 3.22Å; C571-Y579 WeakPolarHBondContact O-CB 3.47Å; T573-Y579 VanDerWaalsContact C-CD1 3.49Å; C576-Y579 PolarHBondContact O-N 3.26Å; Y579-A581 VanDerWaalsContact C-N 3.32Å; Y579-A581 PolarHBondContact O-N 2.95Å; Y579-V582 PolarHBondContact O-N 2.82Å; Y579-V582 VanDerWaalsContact O-N 3.1Å
580L92.3Very high94.4Very high40 Ų4045.4 Ų45.421%0.20923%0.231CC..Hα-helixtrans-61.2-40174.8-179.562.2000111.9R509 Q512 K574 C576 C578 V582R509-L580 HydrophobicContact CG-CD2 4.07Å; Q512-L580 PolarHBondContact NE2-O 3.15Å; K574-L580 HydrophobicContact CB-CD1 4.22Å; K574-L580 HydrophobicContact CD-CD1 4.44Å; K574-L580 HydrophobicContact CG-CD1 4.16Å; C576-L580 WeakPolarHBondContact O-CB 3.31Å; C576-L580 PolarHBondContact O-N 3.12Å; C578-L580 PolarHBondContact O-N 2.72Å; L580-V582 PolarHBondContact O-N 2.71Å
581A90.1Very high94.5Very high26 Ų2646.3 Ų46.322%0.21524%0.238CC..THydrogen-bonded Turntrans-81.17.2175.600000114.1F562 P577 C578 Y579 R583F562-A581 HydrophobicContact CE2-CB 4.17Å; P577-A581 WeakPolarHBondContact O-CB 3.38Å; P577-A581 PolarHBondContact O-N 2.73Å; P577-A581 VanDerWaalsContact O-N 3.12Å; C578-A581 CarbonylContact O-C 3.2Å; C578-A581 PolarHBondContact O-N 3.27Å; Y579-A581 VanDerWaalsContact C-N 3.32Å; Y579-A581 PolarHBondContact O-N 2.95Å; A581-R583 HydrophobicContact CB-CG 4.06Å; A581-R583 WeakPolarHBondContact O-CG 3.38Å
582V94.8Very high94.4Very high51 Ų5149.8 Ų49.831%0.30926%0.259SS..THydrogen-bonded Turntrans60.744.8-178.6-175.80000112.7C578 Y579 L580 K703 V704 M705 M706C578-V582 PolarHBondContact O-N 2.6Å; C578-V582 VanDerWaalsContact O-N 3.16Å; Y579-V582 PolarHBondContact O-N 2.82Å; Y579-V582 VanDerWaalsContact O-N 3.1Å; L580-V582 PolarHBondContact O-N 2.71Å; V582-K703 HydrophobicContact CG1-CG 4.45Å; V582-V704 WeakPolarHBondContact CG1-O 3.44Å; V582-M705 HydrophobicContact CG1-CB 4.42Å; V582-M705 HydrophobicContact CG1-CG 4.05Å; V582-M705 WeakPolarHBondContact O-CA 3.33Å; V582-M706 PolarHBondContact O-N 3.35Å
583R96.6Very high94.4Very high10 Ų1046.3 Ų46.34%0.03824%0.24CC..BIsolated β-bridgetrans-125.8147.3-179.9-53175.357.1100.1-2.5112.1E549 C578 A581 N608 M706E549-R583 IonicContact OE1-CZ 3.82Å; E549-R583 IonicContact OE1-NH1 2.71Å; E549-R583 PolarHBondContact OE1-NH1 2.94Å; E549-R583 IonicContact OE1-NH2 3.18Å; E549-R583 PolarHBondContact OE1-NH2 3.1Å; E549-R583 IonicContact OE2-CZ 2.66Å; E549-R583 IonicContact OE2-NH1 2.74Å; E549-R583 IonicContact OE2-NH2 2.83Å; E549-R583 PolarHBondContact OE2-NH2 3.4Å; C578-R583 CarbonylContact C-O 3.6Å; C578-R583 VanDerWaalsContact C-O 3.27Å; C578-R583 HydrophobicContact CB-CB 4.42Å; C578-R583 WeakPolarHBondContact O-CB 3.43Å; C578-R583 PolarHBondContact O-N 3.09Å; A581-R583 HydrophobicContact CB-CG 4.06Å; A581-R583 WeakPolarHBondContact O-CG 3.38Å; R583-N608 PolarHBondContact O-ND2 2.89Å; R583-M706 VanDerWaalsContact CA-O 3.26Å; R583-M706 WeakPolarHBondContact CA-O 3.26Å; R583-M706 HydrophobicContact CG-CB 4.17Å; R583-M706 HydrophobicContact CG-CG 4.43Å
584E97.1Very high94.4Very high7 Ų743.3 Ų43.33%0.03322%0.223CC..  trans-70.8162.5160.7-72.7-150.2142.100111.7D586 N608 C609 S610 I611 Q612 M705 M706 V707E584-D586 PolarHBondContact O-N 3.05Å; E584-N608 CarbonylContact C-O 3.43Å; E584-N608 WeakPolarHBondContact CA-O 3.37Å; E584-N608 WeakPolarHBondContact CB-O 3.42Å; E584-C609 VanDerWaalsContact CD-CA 3.44Å; E584-C609 WeakPolarHBondContact OE1-CA 3.34Å; E584-C609 PolarHBondContact OE1-N 3.46Å; E584-C609 WeakPolarHBondContact OE2-CA 3.3Å; E584-S610 PolarHBondContact OE1-N 2.9Å; E584-I611 PolarHBondContact OE1-N 2.72Å; E584-I611 PolarHBondContact OE2-N 3.11Å; E584-Q612 PolarHBondContact OE2-N 3.14Å; E584-M705 HydrophobicContact CG-CE 3.53Å; E584-M706 PolarHBondContact N-O 2.98Å; E584-M706 VanDerWaalsContact N-O 3.11Å; E584-V707 HydrophobicContact CB-CG1 4.28Å; E584-V707 HydrophobicContact CB-CG2 4.26Å; E584-V707 HydrophobicContact CG-CG1 4.47Å; E584-V707 HydrophobicContact CG-CG2 3.97Å
585C97.4Very high94.5Very high0 Ų035.2 Ų35.20%019%0.187CC..  trans-79.498.8177.3-73.80000110.3C590 A595 N608 Q612C585-C590 HydrophobicContact CB-CB 3.87Å; C585-A595 HydrophobicContact CB-CB 3.75Å; C585-A595 WeakPolarHBondContact O-CB 3.41Å; C585-N608 PolarHBondContact N-ND2 2.89Å; C585-N608 PolarHBondContact N-O 3.18Å; C585-N608 PolarHBondContact SG-ND2 3.32Å; C585-N608 VanDerWaalsContact SG-ND2 3.36Å; C585-Q612 PolarHBondContact O-NE2 3.05Å
586D97Very high94.6Very high3 Ų327.7 Ų27.72%0.01616%0.155CC..  trans-50.1123.1172.6-174.9-46.2000111K550 E584 D588 L589 C590K550-D586 VanDerWaalsContact CD-OD2 3.31Å; K550-D586 WeakPolarHBondContact CD-OD2 3.19Å; K550-D586 WeakPolarHBondContact CE-OD2 3.23Å; K550-D586 IonicContact NZ-OD1 2.74Å; K550-D586 PolarHBondContact NZ-OD1 2.82Å; K550-D586 IonicContact NZ-OD2 3.11Å; K550-D586 PolarHBondContact NZ-OD2 2.93Å; E584-D586 PolarHBondContact O-N 3.05Å; D586-D588 VanDerWaalsContact C-N 3.35Å; D586-D588 PolarHBondContact O-N 2.9Å; D586-D588 WeakPolarHBondContact OD1-CB 3.38Å; D586-D588 PolarHBondContact OD1-N 3.36Å; D586-L589 HydrophobicContact CB-CB 4.28Å; D586-L589 HydrophobicContact CB-CD1 4.1Å; D586-L589 HydrophobicContact CB-CG 4.31Å; D586-L589 PolarHBondContact O-N 3.35Å; D586-C590 WeakPolarHBondContact O-CB 3.37Å; D586-C590 PolarHBondContact O-N 3.46Å; D586-C590 PolarHBondContact O-SG 2.87Å
587P95.7Very high94.3Very high18 Ų1830.9 Ų30.912%0.11717%0.172CC..THydrogen-bonded Turntrans-72.7-22-174.130.4-34.4000113.9L589 L591 A596 W599 N708P587-L589 PolarHBondContact O-N 3.07Å; P587-L591 VanDerWaalsContact O-CD2 3.24Å; P587-L591 WeakPolarHBondContact O-CD2 3.27Å; P587-A596 HydrophobicContact CB-CB 4.44Å; P587-A596 VanDerWaalsContact O-CB 3.3Å; P587-A596 WeakPolarHBondContact O-CB 3.45Å; P587-W599 HydrophobicContact CB-CH2 3.6Å; P587-W599 HydrophobicContact CB-CZ2 4.23Å; P587-W599 HydrophobicContact CG-CH2 4.03Å; P587-N708 VanDerWaalsContact CD-OD1 3.22Å; P587-N708 WeakPolarHBondContact CD-OD1 3.27Å
588D94.1Very high93.9Very high91 Ų9136.8 Ų36.849%0.48720%0.198SC..THydrogen-bonded Turntrans-78.6-12.4176.6-66.2-65.8000112.2K550 D586K550-D588 HydrophobicContact CD-CB 3.98Å; K550-D588 VanDerWaalsContact CD-OD2 3.26Å; K550-D588 WeakPolarHBondContact CD-OD2 3.44Å; K550-D588 WeakPolarHBondContact CE-OD2 3.47Å; K550-D588 IonicContact NZ-OD2 3.52Å; K550-D588 PolarHBondContact NZ-OD2 3.27Å; D586-D588 VanDerWaalsContact C-N 3.35Å; D586-D588 PolarHBondContact O-N 2.9Å; D586-D588 WeakPolarHBondContact OD1-CB 3.38Å; D586-D588 PolarHBondContact OD1-N 3.36Å
589L93.5Very high93.5Very high46 Ų4644.2 Ų44.224%0.24123%0.226CC..THydrogen-bonded Turntrans-119.6-38.3-173.8-56.3176.9000113.2F562 D586 P587 L591F562-L589 WeakPolarHBondContact O-CD1 3.04Å; D586-L589 HydrophobicContact CB-CB 4.28Å; D586-L589 HydrophobicContact CB-CD1 4.1Å; D586-L589 HydrophobicContact CB-CG 4.31Å; D586-L589 PolarHBondContact O-N 3.35Å; P587-L589 PolarHBondContact O-N 3.07Å; L589-L591 PolarHBondContact O-N 2.86Å; L589-L591 VanDerWaalsContact O-N 3.07Å
590C95.4Very high93.2Very high0 Ų049.1 Ų49.10%026%0.257CS..  trans-88.845.4-172.1-56.60000112.9C565 C585 D586 T592 C593 A595C565-C590 PolarHBondContact N-SG 2.8Å; C565-C590 VanDerWaalsContact N-SG 3.42Å; C585-C590 HydrophobicContact CB-CB 3.87Å; D586-C590 WeakPolarHBondContact O-CB 3.37Å; D586-C590 PolarHBondContact O-N 3.46Å; D586-C590 PolarHBondContact O-SG 2.87Å; C590-T592 PolarHBondContact O-N 3Å; C590-C593 PolarHBondContact O-N 2.72Å; C590-C593 PolarHBondContact O-SG 2.95Å; C590-C593 VanDerWaalsContact O-SG 3.34Å; C590-A595 HydrophobicContact CB-CB 4.06Å
591L94.6Very high93Very high109 Ų10949.4 Ų49.457%0.57126%0.262SS*.THydrogen-bonded Turntrans-67.315.7-169.1-53.8175.8000116P587 L589 A596P587-L591 VanDerWaalsContact O-CD2 3.24Å; P587-L591 WeakPolarHBondContact O-CD2 3.27Å; L589-L591 PolarHBondContact O-N 2.86Å; L589-L591 VanDerWaalsContact O-N 3.07Å; L591-A596 HydrophobicContact CD2-CB 3.95Å
592T94.3Very high92.4Very high77 Ų7754.1 Ų54.147%0.47228%0.278SS..THydrogen-bonded Turntrans-131.8-6.8-17870.20000114.5R566 C567 C590R566-T592 WeakPolarHBondContact CA-OG1 3.41Å; C567-T592 CarbonylContact O-C 3.46Å; C567-T592 PolarHBondContact O-OG1 3.23Å; C590-T592 PolarHBondContact O-N 3Å
593C94.3Very high91.8Very high0 Ų057.6 Ų57.60%030%0.295CS..THydrogen-bonded Turntrans-109.6-0.1-169.470.40000115.3C567 C571 C590 S605 C606C567-C593 HydrophobicContact CB-CB 4.14Å; C567-C593 WeakPolarHBondContact O-CA 3.23Å; C567-C593 WeakPolarHBondContact O-CB 3.38Å; C567-C593 PolarHBondContact O-N 2.99Å; C571-C593 WeakPolarHBondContact SG-CB 3.32Å; C590-C593 PolarHBondContact O-N 2.72Å; C590-C593 PolarHBondContact O-SG 2.95Å; C590-C593 VanDerWaalsContact O-SG 3.34Å; C593-S605 CarbonylContact O-C 3.51Å; C593-S605 PolarHBondContact O-OG 3.13Å; C593-C606 WeakPolarHBondContact O-CA 3.32Å; C593-C606 VanDerWaalsContact O-CB 3.3Å; C593-C606 WeakPolarHBondContact O-CB 3.29Å; C593-C606 PolarHBondContact O-N 3.5Å; C593-C606 VanDerWaalsContact O-N 3.14Å
594G93.5Very high91.6Very high2 Ų257.7 Ų57.72%0.02130%0.296CS..THydrogen-bonded Turntrans97.6-2.6-172.500000115.4D597 V604 S605G594-D597 WeakPolarHBondContact CA-OD2 3.23Å; G594-D597 PolarHBondContact N-OD2 3.02Å; G594-V604 WeakPolarHBondContact O-CB 3.47Å; G594-V604 WeakPolarHBondContact O-CG2 3.29Å; G594-S605 VanDerWaalsContact CA-OG 3.25Å; G594-S605 WeakPolarHBondContact CA-OG 3.37Å
595A94.2Very high91.4Very high0 Ų060.2 Ų60.20%031%0.314CS..SBendtrans-71.8-33.7-175.400000113.2C585 C590 C606 R613C585-A595 HydrophobicContact CB-CB 3.75Å; C585-A595 WeakPolarHBondContact O-CB 3.41Å; C590-A595 HydrophobicContact CB-CB 4.06Å; A595-C606 HydrophobicContact CB-CB 4.4Å; A595-R613 PolarHBondContact O-NH2 2.95Å
596A93.4Very high91.3Very high20 Ų2060.3 Ų60.317%0.16532%0.315CS..SBendtrans-90.9-8.7-17700000114P587 L591 W599P587-A596 HydrophobicContact CB-CB 4.44Å; P587-A596 VanDerWaalsContact O-CB 3.3Å; P587-A596 WeakPolarHBondContact O-CB 3.45Å; L591-A596 HydrophobicContact CD2-CB 3.95Å; A596-W599 WeakPolarHBondContact O-CZ2 3.5Å; A596-W599 PolarHBondContact O-NE1 3.29Å
597D89.3Confident91.3Very high68 Ų6863.9 Ų63.936%0.36433%0.331SS..SBendtrans-102.7157-163.7-49.5-66.5000111.8G594 W599 R613G594-D597 WeakPolarHBondContact CA-OD2 3.23Å; G594-D597 PolarHBondContact N-OD2 3.02Å; D597-W599 PolarHBondContact O-N 3.25Å; D597-R613 PolarHBondContact O-NH1 2.67Å; D597-R613 PolarHBondContact O-NH2 2.93Å
598H83.8Confident91.3Very high145 Ų14563.3 Ų63.367%0.67133%0.326SS*.  trans43.170.9172.2-55.3-73.5000114.6D600 S601 V604 R613H598-D600 VanDerWaalsContact C-N 3.29Å; H598-D600 PolarHBondContact O-N 2.87Å; H598-S601 PolarHBondContact O-N 3.09Å; H598-S601 VanDerWaalsContact O-N 3.11Å; H598-V604 HydrophobicContact CB-CG1 4.26Å; H598-R613 PolarHBondContact O-NH1 3.11Å
599W87.6Confident91.4Very high155 Ų15559 Ų5959%0.58730%0.304SS*.THydrogen-bonded Turntrans-60.5-34.9-174.7-66.1104.9000114.2P587 A596 D597 S601P587-W599 HydrophobicContact CB-CH2 3.6Å; P587-W599 HydrophobicContact CB-CZ2 4.23Å; P587-W599 HydrophobicContact CG-CH2 4.03Å; A596-W599 WeakPolarHBondContact O-CZ2 3.5Å; A596-W599 PolarHBondContact O-NE1 3.29Å; D597-W599 PolarHBondContact O-N 3.25Å; W599-S601 VanDerWaalsContact C-N 3.27Å; W599-S601 PolarHBondContact O-N 3.37Å
600D87.4Confident91.6Very high164 Ų16457.8 Ų57.888%0.87730%0.299SS*.THydrogen-bonded Turntrans-70.5-24.2179.1-39.3-84.5000112.2H598H598-D600 VanDerWaalsContact C-N 3.29Å; H598-D600 PolarHBondContact O-N 2.87Å
601S89Confident91.6Very high45 Ų4557.8 Ų57.832%0.31530%0.299SS..  trans-87.6124.9175.2-175.50000111.4H598 W599 N603 R613H598-S601 PolarHBondContact O-N 3.09Å; H598-S601 VanDerWaalsContact O-N 3.11Å; W599-S601 VanDerWaalsContact C-N 3.27Å; W599-S601 PolarHBondContact O-N 3.37Å; S601-N603 VanDerWaalsContact C-N 3.33Å; S601-N603 PolarHBondContact OG-N 2.6Å; S601-N603 VanDerWaalsContact OG-N 3.11Å; S601-N603 PolarHBondContact OG-O 3.36Å; S601-R613 PolarHBondContact O-NH1 2.93Å
602K76.7Confident91.7Very high126 Ų12654.4 Ų54.455%0.54828%0.28SS..SBendtrans-79.9-16.8166.4-69.3-167.3170.4-167.10113.1R613 G614 S615K602-R613 WeakPolarHBondContact CE-O 3.2Å; K602-G614 PolarHBondContact NZ-O 3.24Å; K602-S615 PolarHBondContact O-OG 2.87Å
603N82.7Confident91.7Very high124 Ų12452.1 Ų52.166%0.66326%0.263SS*.  trans-103.375.7178-171.317.6000110.4S601 K607S601-N603 VanDerWaalsContact C-N 3.33Å; S601-N603 PolarHBondContact OG-N 2.6Å; S601-N603 VanDerWaalsContact OG-N 3.11Å; S601-N603 PolarHBondContact OG-O 3.36Å; N603-K607 PolarHBondContact OD1-NZ 2.84Å
604V91.6Very high91.8Very high11 Ų1153.2 Ų53.27%0.06727%0.274CS..  trans-92169.3173-67.70000111.8G594 H598 C606 K607G594-V604 WeakPolarHBondContact O-CB 3.47Å; G594-V604 WeakPolarHBondContact O-CG2 3.29Å; H598-V604 HydrophobicContact CB-CG1 4.26Å; V604-C606 VanDerWaalsContact C-N 3.26Å; V604-C606 HydrophobicContact CG2-CB 4.41Å; V604-C606 PolarHBondContact O-N 3.07Å; V604-K607 PolarHBondContact O-NZ 3.42Å
605S94.3Very high91.8Very high60 Ų6054.3 Ų54.342%0.4228%0.281SS..SBendtrans-67.3-23.9179.451.20000113.2Q570 C593 G594Q570-S605 WeakPolarHBondContact CA-O 3.5Å; Q570-S605 PolarHBondContact N-O 2.97Å; C593-S605 CarbonylContact O-C 3.51Å; C593-S605 PolarHBondContact O-OG 3.13Å; G594-S605 VanDerWaalsContact CA-OG 3.25Å; G594-S605 WeakPolarHBondContact CA-OG 3.37Å
606C95.8Very high91.9Very high3 Ų358.3 Ų58.32%0.0230%0.299CS..BIsolated β-bridgetrans-80.1133.9168.9-171.20000110.8C593 A595 V604 N608C593-C606 WeakPolarHBondContact O-CA 3.32Å; C593-C606 VanDerWaalsContact O-CB 3.3Å; C593-C606 WeakPolarHBondContact O-CB 3.29Å; C593-C606 PolarHBondContact O-N 3.5Å; C593-C606 VanDerWaalsContact O-N 3.14Å; A595-C606 HydrophobicContact CB-CB 4.4Å; V604-C606 VanDerWaalsContact C-N 3.26Å; V604-C606 HydrophobicContact CG2-CB 4.41Å; V604-C606 PolarHBondContact O-N 3.07Å; C606-N608 PolarHBondContact SG-N 3.09Å; C606-N608 VanDerWaalsContact SG-N 3.41Å
607K95.3Very high92.1Very high78 Ų7860 Ų6034%0.33930%0.303SS..SBendtrans-107.99172.7-55.4-55.3-179-159.70113.3Q570 N603 V604 S610Q570-K607 WeakPolarHBondContact O-CA 3.49Å; Q570-K607 WeakPolarHBondContact O-CB 3.46Å; Q570-K607 PolarHBondContact O-N 3.18Å; N603-K607 PolarHBondContact OD1-NZ 2.84Å; V604-K607 PolarHBondContact O-NZ 3.42Å; K607-S610 PolarHBondContact O-OG 2.94Å
608N96.7Very high92.6Very high5 Ų561.5 Ų61.53%0.02731%0.307CS..SBendtrans-116.240.7-178.5-168.261.1000110.4C571 R583 E584 C585 C606C571-N608 HydrophobicContact CB-CB 3.68Å; C571-N608 WeakPolarHBondContact O-CB 3.45Å; R583-N608 PolarHBondContact O-ND2 2.89Å; E584-N608 CarbonylContact C-O 3.43Å; E584-N608 WeakPolarHBondContact CA-O 3.37Å; E584-N608 WeakPolarHBondContact CB-O 3.42Å; C585-N608 PolarHBondContact N-ND2 2.89Å; C585-N608 PolarHBondContact N-O 3.18Å; C585-N608 PolarHBondContact SG-ND2 3.32Å; C585-N608 VanDerWaalsContact SG-ND2 3.36Å; C606-N608 PolarHBondContact SG-N 3.09Å; C606-N608 VanDerWaalsContact SG-N 3.41Å
609C96.3Very high93.3Very high2 Ų254.9 Ų54.91%0.01428%0.276CS..  trans-151.634.3178.361.90000110.7E584 Q612 R613E584-C609 VanDerWaalsContact CD-CA 3.44Å; E584-C609 WeakPolarHBondContact OE1-CA 3.34Å; E584-C609 PolarHBondContact OE1-N 3.46Å; E584-C609 WeakPolarHBondContact OE2-CA 3.3Å; C609-Q612 HydrophobicContact CB-CG 4Å; C609-R613 WeakPolarHBondContact O-CB 3.48Å; C609-R613 WeakPolarHBondContact O-CG 3.26Å
610S96.7Very high93.8Very high19 Ų1951 Ų5113%0.13327%0.267CS..THydrogen-bonded Turntrans-87.9-34.3-171.3-56.10000111.7E584 K607 G614 S615E584-S610 PolarHBondContact OE1-N 2.9Å; K607-S610 PolarHBondContact O-OG 2.94Å; S610-G614 PolarHBondContact O-N 3.06Å; S610-G614 VanDerWaalsContact O-N 3.16Å; S610-S615 PolarHBondContact O-N 3.5Å
611I96.8Very high94.3Very high1 Ų146.5 Ų46.51%0.00524%0.242CC..THydrogen-bonded Turntrans-69.5-50.7174.4-58.3175000109E584 R613 G614 F642 E645 M705 V707 R712E584-I611 PolarHBondContact OE1-N 2.72Å; E584-I611 PolarHBondContact OE2-N 3.11Å; I611-R613 PolarHBondContact O-N 3.11Å; I611-R613 VanDerWaalsContact O-N 3.17Å; I611-G614 PolarHBondContact O-N 2.96Å; I611-F642 HydrophobicContact CD1-CE2 4.39Å; I611-F642 HydrophobicContact CG1-CD2 4.3Å; I611-F642 HydrophobicContact CG1-CE2 3.58Å; I611-F642 HydrophobicContact CG1-CZ 3.87Å; I611-E645 HydrophobicContact CG2-CB 4.48Å; I611-E645 HydrophobicContact CG2-CG 4.22Å; I611-E645 WeakPolarHBondContact CG2-OE2 3.49Å; I611-M705 HydrophobicContact CD1-CE 3.92Å; I611-V707 HydrophobicContact CB-CG2 4.41Å; I611-V707 HydrophobicContact CD1-CG2 4.31Å; I611-V707 HydrophobicContact CG2-CG2 4.34Å; I611-R712 HydrophobicContact CG2-CB 3.93Å; I611-R712 HydrophobicContact CG2-CG 4.47Å
612Q95.7Very high94.7Very high37 Ų3746 Ų4617%0.17324%0.242CC..THydrogen-bonded Turntrans-62.4-26-178.974.2-175.230.700114.1E584 C585 C609 V707 N708E584-Q612 PolarHBondContact OE2-N 3.14Å; C585-Q612 PolarHBondContact O-NE2 3.05Å; C609-Q612 HydrophobicContact CB-CG 4Å; Q612-V707 HydrophobicContact CB-CG1 3.77Å; Q612-N708 PolarHBondContact OE1-ND2 2.98Å
613R95.3Very high95.7Very high29 Ų2943.5 Ų43.511%0.10924%0.238CC..THydrogen-bonded Turntrans-94.8-3.2175.8-68.6-174.4179.4-128.6-1.9114.2A595 D597 H598 S601 K602 C609 I611 S615A595-R613 PolarHBondContact O-NH2 2.95Å; D597-R613 PolarHBondContact O-NH1 2.67Å; D597-R613 PolarHBondContact O-NH2 2.93Å; H598-R613 PolarHBondContact O-NH1 3.11Å; S601-R613 PolarHBondContact O-NH1 2.93Å; K602-R613 WeakPolarHBondContact CE-O 3.2Å; C609-R613 WeakPolarHBondContact O-CB 3.48Å; C609-R613 WeakPolarHBondContact O-CG 3.26Å; I611-R613 PolarHBondContact O-N 3.11Å; I611-R613 VanDerWaalsContact O-N 3.17Å; R613-S615 VanDerWaalsContact C-N 3.26Å; R613-S615 PolarHBondContact O-N 2.67Å
614G94.8Very high96.3Very high23 Ų2338.4 Ų38.424%0.23721%0.212CC..THydrogen-bonded Turntrans56.141-173.500000112.5K602 S610 I611 K616K602-G614 PolarHBondContact NZ-O 3.24Å; S610-G614 PolarHBondContact O-N 3.06Å; S610-G614 VanDerWaalsContact O-N 3.16Å; I611-G614 PolarHBondContact O-N 2.96Å; G614-K616 PolarHBondContact O-N 3.26Å
615S95.1Very high96.2Very high25 Ų2544.9 Ų44.918%0.17525%0.246CC..  trans-81.943.9-177.9-62.90000112.4K602 S610 R613 F642K602-S615 PolarHBondContact O-OG 2.87Å; S610-S615 PolarHBondContact O-N 3.5Å; R613-S615 VanDerWaalsContact C-N 3.26Å; R613-S615 PolarHBondContact O-N 2.67Å; S615-F642 WeakPolarHBondContact O-CD1 3.34Å
616K96.6Very high96Very high84 Ų8445 Ų4537%0.36524%0.244SC..PPolyproline II helixtrans-71.9153.3178.464.4176.9-178.7-66.80112.3G614 F642 I643G614-K616 PolarHBondContact O-N 3.26Å; K616-F642 HydrophobicContact CB-CE1 4.28Å; K616-I643 CarbonylContact C-O 3.56Å; K616-I643 VanDerWaalsContact CA-O 3.28Å; K616-I643 WeakPolarHBondContact CA-O 3.17Å; K616-I643 WeakPolarHBondContact CB-O 3.31Å
617K97.8Very high95.5Very high57 Ų5747.5 Ų47.525%0.24827%0.265CS..PPolyproline II helixtrans-74.4168.4174.3-61.2-74.4178.9159.30111.3I633 V637 E641 I643K617-I633 HydrophobicContact CB-CD1 4.37Å; K617-V637 HydrophobicContact CD-CG1 3.71Å; K617-V637 VanDerWaalsContact CE-CG1 3.5Å; K617-V637 HydrophobicContact CG-CG1 3.9Å; K617-E641 VanDerWaalsContact CE-OE1 3.29Å; K617-E641 WeakPolarHBondContact CE-OE1 3.17Å; K617-E641 IonicContact NZ-OE1 2.66Å; K617-E641 PolarHBondContact NZ-OE1 3.2Å; K617-E641 IonicContact NZ-OE2 2.73Å; K617-E641 PolarHBondContact NZ-OE2 3.04Å; K617-I643 PolarHBondContact N-O 3.44Å
618H98.3Very high95.3Very high98 Ų9845.7 Ų45.745%0.45427%0.269SS..PPolyproline II helixtrans-85.7128.3175.2-161.7100000110.7K634H618-K634 HydrophobicContact CB-CB 4.08Å; H618-K634 HydrophobicContact CB-CD 4.18Å; H618-K634 PolarHBondContact O-N 2.81Å; H618-K634 VanDerWaalsContact O-N 3.12Å
619L98.6Very high95.3Very high6 Ų647.8 Ų47.83%0.03128%0.276CS..EExtended strand (participates in β ladder)trans-121.2137.2-174.8-63.1176.5000110.6I631 I633 I643 K688 I689 L727L619-I631 HydrophobicContact CB-CD1 4.33Å; L619-I631 HydrophobicContact CB-CG1 3.9Å; L619-I631 HydrophobicContact CD1-CG1 4.34Å; L619-I633 HydrophobicContact CD2-CB 4.47Å; L619-I633 HydrophobicContact CD2-CG1 4.2Å; L619-I643 HydrophobicContact CD2-CG2 4.02Å; L619-K688 HydrophobicContact CB-CB 4.2Å; L619-K688 HydrophobicContact CB-CD 4.03Å; L619-K688 HydrophobicContact CD1-CB 4.08Å; L619-K688 WeakPolarHBondContact O-CD 3.42Å; L619-K688 PolarHBondContact O-NZ 3.47Å; L619-I689 HydrophobicContact CD1-CB 4.19Å; L619-I689 HydrophobicContact CD1-CD1 3.71Å; L619-I689 HydrophobicContact CD2-CD1 4.43Å; L619-L727 HydrophobicContact CD2-CD1 3.62Å
620L98.5Very high95.3Very high75 Ų7547.7 Ų47.739%0.39328%0.276SS..EExtended strand (participates in β ladder)trans-110145.2-179.8-54.7176.8000109I631 F632 K634L620-I631 WeakPolarHBondContact O-CA 3.13Å; L620-I631 WeakPolarHBondContact O-CD1 3.48Å; L620-I631 WeakPolarHBondContact O-CG1 3.36Å; L620-F632 HydrophobicContact CB-CB 4.37Å; L620-F632 PolarHBondContact N-O 2.92Å; L620-F632 PolarHBondContact O-N 3.01Å; L620-K634 HydrophobicContact CD1-CB 4.18Å; L620-K634 HydrophobicContact CD1-CG 4.36Å; L620-K634 HydrophobicContact CG-CB 4.19Å
621L98.4Very high95.4Very high68 Ų6846.8 Ų46.836%0.35627%0.269SS..EExtended strand (participates in β ladder)trans-113128.7-17917868.7000108.4M110 W629 I631 F691M110-L621 HydrophobicContact CE-CD2 4.05Å; L621-W629 HydrophobicContact CD1-CB 4.19Å; L621-W629 HydrophobicContact CD1-CD2 4.42Å; L621-W629 HydrophobicContact CD1-CE3 3.9Å; L621-W629 HydrophobicContact CD2-CE3 4.36Å; L621-W629 HydrophobicContact CG-CE3 3.81Å; L621-W629 HydrophobicContact CG-CZ3 4.18Å; L621-I631 HydrophobicContact CB-CD1 4.08Å; L621-I631 HydrophobicContact CD1-CD1 4.12Å; L621-F691 HydrophobicContact CD1-CB 4.09Å; L621-F691 HydrophobicContact CD1-CD1 4.18Å; L621-F691 HydrophobicContact CD1-CD2 3.79Å; L621-F691 HydrophobicContact CD1-CE2 4.21Å; L621-F691 HydrophobicContact CD1-CG 3.77Å
622A97.7Very high95.5Very high36 Ų3648 Ų4830%0.29828%0.275SS..EExtended strand (participates in β ladder)trans-150.3169.1176.200000108.9W629 G630 F632A622-W629 VanDerWaalsContact C-CE3 3.45Å; A622-G630 PolarHBondContact N-O 3.47Å; A622-G630 PolarHBondContact O-N 2.82Å; A622-F632 HydrophobicContact CB-CD2 3.98Å; A622-F632 HydrophobicContact CB-CE2 3.72Å; A622-F632 HydrophobicContact CB-CZ 4.46Å
623P97.1Very high95.6Very high73 Ų7346.2 Ų46.247%0.47427%0.266SS..EExtended strand (participates in β ladder)trans-51.7143.1165.2-24.635.8000110.5P108 G628 F632P108-P623 HydrophobicContact CG-CB 4.11Å; P108-P623 HydrophobicContact CG-CG 4.27Å; P623-G628 WeakPolarHBondContact CA-O 3.5Å; P623-F632 WeakPolarHBondContact O-CE2 3.24Å; P623-F632 WeakPolarHBondContact O-CZ 3.21Å
624S94.6Very high95.8Very high17 Ų1749.5 Ų49.512%0.11928%0.282CS..  trans-75.3149.9174.7178.60000110.2V626 A627 G628 N693 E726S624-V626 PolarHBondContact O-N 3.25Å; S624-V626 PolarHBondContact OG-N 2.95Å; S624-A627 VanDerWaalsContact CB-O 3.23Å; S624-A627 WeakPolarHBondContact CB-O 3.38Å; S624-A627 PolarHBondContact OG-N 2.62Å; S624-G628 PolarHBondContact N-O 3.4Å; S624-N693 PolarHBondContact OG-ND2 2.94Å; S624-E726 WeakPolarHBondContact CA-OE2 3.41Å; S624-E726 WeakPolarHBondContact CB-OE1 3.43Å; S624-E726 VanDerWaalsContact OG-CD 3.25Å; S624-E726 PolarHBondContact OG-OE1 2.88Å; S624-E726 PolarHBondContact OG-OE2 3.18Å
625D90.9Very high95.9Very high147 Ų14751.7 Ų51.779%0.78629%0.288SS*.SBendtrans-72.9-10.3168.9-67.1-39.1000112.1E726D625-E726 PolarHBondContact N-OE2 2.64Å; D625-E726 VanDerWaalsContact N-OE2 3.13Å
626V88.4Confident96Very high62 Ų6254 Ų5438%0.37630%0.302SS..SBendtrans-104.1-64.7177.7-177.30000111.5S624 F728 I744S624-V626 PolarHBondContact O-N 3.25Å; S624-V626 PolarHBondContact OG-N 2.95Å; V626-F728 HydrophobicContact CG2-CE1 3.89Å; V626-F728 HydrophobicContact CG2-CZ 3.97Å; V626-I744 HydrophobicContact CG1-CB 4.3Å; V626-I744 HydrophobicContact CG1-CD1 4.2Å; V626-I744 HydrophobicContact CG1-CG2 4.4Å; V626-I744 WeakPolarHBondContact O-CD1 3.23Å
627A85.5Confident96.1Very high55 Ų5550.2 Ų50.246%0.45529%0.286SS..SBendtrans-160.3137.9-177.600000112.8S624 W629 I744S624-A627 VanDerWaalsContact CB-O 3.23Å; S624-A627 WeakPolarHBondContact CB-O 3.38Å; S624-A627 PolarHBondContact OG-N 2.62Å; A627-W629 PolarHBondContact O-N 3.24Å; A627-I744 HydrophobicContact CB-CD1 4.32Å
628G92.4Very high96.1Very high41 Ų4154.7 Ų54.742%0.42331%0.308SS..SBendtrans67-128.1171.900000113.6P108 P623 S624P108-G628 WeakPolarHBondContact CG-O 3.45Å; P623-G628 WeakPolarHBondContact CA-O 3.5Å; S624-G628 PolarHBondContact N-O 3.4Å
629W96.4Very high96Very high48 Ų4856.4 Ų56.418%0.18231%0.314CS..EExtended strand (participates in β ladder)trans-105.1134.2178.7-73.299.5000110.8V107 P108 I109 M110 L621 A622 A627 F691 N693V107-W629 HydrophobicContact CB-CH2 4.47Å; V107-W629 HydrophobicContact CB-CZ2 4.08Å; P108-W629 HydrophobicContact CB-CD2 4.48Å; P108-W629 HydrophobicContact CB-CG 4.37Å; P108-W629 HydrophobicContact CG-CD2 4.43Å; P108-W629 HydrophobicContact CG-CZ2 4.46Å; P108-W629 PolarHBondContact O-NE1 3.14Å; I109-W629 PolarHBondContact O-NE1 2.95Å; M110-W629 HydrophobicContact CE-CD2 3.73Å; M110-W629 VanDerWaalsContact CE-CE2 3.41Å; M110-W629 HydrophobicContact CE-CE3 4.37Å; M110-W629 HydrophobicContact CE-CG 4.02Å; M110-W629 HydrophobicContact CE-CH2 4.49Å; M110-W629 HydrophobicContact CE-CZ2 3.84Å; L621-W629 HydrophobicContact CD1-CB 4.19Å; L621-W629 HydrophobicContact CD1-CD2 4.42Å; L621-W629 HydrophobicContact CD1-CE3 3.9Å; L621-W629 HydrophobicContact CD2-CE3 4.36Å; L621-W629 HydrophobicContact CG-CE3 3.81Å; L621-W629 HydrophobicContact CG-CZ3 4.18Å; A622-W629 VanDerWaalsContact C-CE3 3.45Å; A627-W629 PolarHBondContact O-N 3.24Å; W629-F691 HydrophobicContact CB-CD1 3.76Å; W629-F691 HydrophobicContact CB-CE1 4.2Å; W629-N693 PolarHBondContact O-ND2 3.19Å
630G96.9Very high95.9Very high0 Ų060 Ų600%033%0.333CS..EExtended strand (participates in β ladder)trans-115.2160.8176.300000112.5A622 F691 E726A622-G630 PolarHBondContact N-O 3.47Å; A622-G630 PolarHBondContact O-N 2.82Å; G630-F691 CarbonylContact C-O 3.6Å; G630-F691 WeakPolarHBondContact CA-O 3.39Å; G630-E726 WeakPolarHBondContact CA-OE1 3.31Å
631I98.4Very high95.8Very high0 Ų059.7 Ų59.70%033%0.33CS..EExtended strand (participates in β ladder)trans-118.8127.3175.8-152.178000111.5L619 L620 L621 K688 I689 F691 A692 E726 L727L619-I631 HydrophobicContact CB-CD1 4.33Å; L619-I631 HydrophobicContact CB-CG1 3.9Å; L619-I631 HydrophobicContact CD1-CG1 4.34Å; L620-I631 WeakPolarHBondContact O-CA 3.13Å; L620-I631 WeakPolarHBondContact O-CD1 3.48Å; L620-I631 WeakPolarHBondContact O-CG1 3.36Å; L621-I631 HydrophobicContact CB-CD1 4.08Å; L621-I631 HydrophobicContact CD1-CD1 4.12Å; I631-K688 HydrophobicContact CD1-CB 4.12Å; I631-K688 VanDerWaalsContact CD1-O 3.3Å; I631-K688 WeakPolarHBondContact CD1-O 3.5Å; I631-K688 WeakPolarHBondContact CG1-O 3.5Å; I631-I689 HydrophobicContact CG2-CD1 3.99Å; I631-F691 HydrophobicContact CB-CB 4.01Å; I631-F691 HydrophobicContact CD1-CB 4.33Å; I631-F691 PolarHBondContact N-O 3.18Å; I631-A692 HydrophobicContact CG2-CB 3.66Å; I631-E726 CarbonylContact O-C 3.55Å; I631-E726 WeakPolarHBondContact O-CA 3.27Å; I631-L727 HydrophobicContact CG2-CB 3.99Å; I631-L727 HydrophobicContact CG2-CD1 4.34Å; I631-L727 HydrophobicContact CG2-CG 4.45Å; I631-L727 PolarHBondContact O-N 3.25Å
632F98.6Very high95.8Very high26 Ų2657 Ų5711%0.11432%0.315CS..EExtended strand (participates in β ladder)trans-116.1141-169.7-60.2-104.1000109.6L620 A622 P623 G724 E725 E726L620-F632 HydrophobicContact CB-CB 4.37Å; L620-F632 PolarHBondContact N-O 2.92Å; L620-F632 PolarHBondContact O-N 3.01Å; A622-F632 HydrophobicContact CB-CD2 3.98Å; A622-F632 HydrophobicContact CB-CE2 3.72Å; A622-F632 HydrophobicContact CB-CZ 4.46Å; P623-F632 WeakPolarHBondContact O-CE2 3.24Å; P623-F632 WeakPolarHBondContact O-CZ 3.21Å; F632-G724 WeakPolarHBondContact CD1-O 3.49Å; F632-E725 WeakPolarHBondContact CA-O 3.48Å; F632-E726 HydrophobicContact CD1-CB 3.82Å; F632-E726 HydrophobicContact CD1-CG 4.49Å; F632-E726 HydrophobicContact CE1-CB 3.56Å; F632-E726 HydrophobicContact CE1-CG 4.16Å; F632-E726 HydrophobicContact CE2-CG 4.28Å; F632-E726 HydrophobicContact CG-CB 4.45Å; F632-E726 HydrophobicContact CZ-CB 3.94Å; F632-E726 HydrophobicContact CZ-CG 4.02Å
633I98.4Very high95.8Very high0 Ų055.3 Ų55.30%030%0.301CS..EExtended strand (participates in β ladder)trans-88.1131.3-179.1-156.9170.5000111.6K617 L619 D635 V637 I643 I721 Q722 G724 E725 L727K617-I633 HydrophobicContact CB-CD1 4.37Å; L619-I633 HydrophobicContact CD2-CB 4.47Å; L619-I633 HydrophobicContact CD2-CG1 4.2Å; I633-D635 WeakPolarHBondContact CG1-O 3.44Å; I633-V637 HydrophobicContact CD1-CB 4.25Å; I633-V637 HydrophobicContact CD1-CG1 3.5Å; I633-V637 VanDerWaalsContact CD1-CG1 3.5Å; I633-V637 HydrophobicContact CD1-CG2 3.7Å; I633-I643 HydrophobicContact CD1-CG2 4.29Å; I633-I721 HydrophobicContact CG2-CG2 3.87Å; I633-Q722 WeakPolarHBondContact CG2-O 3.43Å; I633-G724 PolarHBondContact O-N 3.38Å; I633-E725 PolarHBondContact N-O 3.15Å; I633-E725 VanDerWaalsContact N-O 3.07Å; I633-L727 HydrophobicContact CB-CD1 4.22Å; I633-L727 HydrophobicContact CB-CD2 4.09Å; I633-L727 HydrophobicContact CB-CG 4.34Å; I633-L727 HydrophobicContact CG2-CD2 4.26Å
634K98.2Very high95.8Very high99 Ų9952 Ų5243%0.4328%0.279SS..SBendtrans-73.2-47-178.3-174.1-165165.3-167.70112.3H618 L620 T723H618-K634 HydrophobicContact CB-CB 4.08Å; H618-K634 HydrophobicContact CB-CD 4.18Å; H618-K634 PolarHBondContact O-N 2.81Å; H618-K634 VanDerWaalsContact O-N 3.12Å; L620-K634 HydrophobicContact CD1-CB 4.18Å; L620-K634 HydrophobicContact CD1-CG 4.36Å; L620-K634 HydrophobicContact CG-CB 4.19Å; K634-T723 WeakPolarHBondContact O-CB 3.41Å; K634-T723 WeakPolarHBondContact O-CG2 3.28Å; K634-T723 PolarHBondContact O-OG1 3.18Å
635D97.5Very high96Very high68 Ų6851.5 Ų51.536%0.36428%0.276SS..SBendtrans-120141.4-170.4-42.6-72.7000108.6I633I633-D635 WeakPolarHBondContact CG1-O 3.44Å
636P97.9Very high96.4Very high73 Ų7344.7 Ų44.747%0.47424%0.239SC..  trans-67153.2-170.629.1-36000112.5I721 T723P636-I721 CarbonylContact C-O 3.42Å; P636-I721 VanDerWaalsContact CA-O 3.29Å; P636-I721 WeakPolarHBondContact CA-O 3.23Å; P636-I721 WeakPolarHBondContact CB-O 2.99Å; P636-T723 WeakPolarHBondContact CD-OG1 3.33Å
637V97.7Very high96.8Very high5 Ų541.8 Ų41.83%0.0322%0.221CC..BIsolated β-bridgetrans-131.8147.5-179.2-67.10000113.4K617 I633 E641 I643 A717 A720 I721K617-V637 HydrophobicContact CD-CG1 3.71Å; K617-V637 VanDerWaalsContact CE-CG1 3.5Å; K617-V637 HydrophobicContact CG-CG1 3.9Å; I633-V637 HydrophobicContact CD1-CB 4.25Å; I633-V637 HydrophobicContact CD1-CG1 3.5Å; I633-V637 VanDerWaalsContact CD1-CG1 3.5Å; I633-V637 HydrophobicContact CD1-CG2 3.7Å; V637-E641 WeakPolarHBondContact CA-OE2 3.14Å; V637-E641 HydrophobicContact CB-CB 4.43Å; V637-E641 WeakPolarHBondContact CB-OE2 3.12Å; V637-I643 HydrophobicContact CG2-CD1 4.49Å; V637-I643 HydrophobicContact CG2-CG1 4.43Å; V637-A717 HydrophobicContact CG2-CB 3.91Å; V637-A720 WeakPolarHBondContact O-CA 3.4Å; V637-I721 HydrophobicContact CG2-CB 3.75Å; V637-I721 HydrophobicContact CG2-CD1 4.11Å; V637-I721 HydrophobicContact CG2-CG1 4.12Å; V637-I721 PolarHBondContact N-O 3.36Å; V637-I721 PolarHBondContact O-N 3.03Å
638Q97.5Very high97.4Very high151 Ų15139.2 Ų39.271%0.70620%0.2SC*.  trans-86.8159.4179.5-62.5-171.8-3.500112N640 E641Q638-N640 PolarHBondContact O-N 2.98Å; Q638-E641 HydrophobicContact CB-CB 4.49Å; Q638-E641 PolarHBondContact N-OE2 3.2Å; Q638-E641 WeakPolarHBondContact O-CB 3.31Å; Q638-E641 PolarHBondContact O-N 3.18Å
639K97.6Very high97.6Very high134 Ų13437.4 Ų37.458%0.58318%0.18SC*.THydrogen-bonded Turntrans-58.4134.1177.4179.7166.4179.6154.60111.7E641 K718 R719K639-E641 PolarHBondContact O-N 2.6Å; K639-K718 WeakPolarHBondContact CD-O 3.42Å; K639-K718 WeakPolarHBondContact CE-O 3.39Å; K639-K718 PolarHBondContact NZ-O 2.82Å; K639-R719 WeakPolarHBondContact CA-O 3.36Å
640N95.8Very high97.6Very high82 Ų8235.6 Ų35.644%0.43917%0.174SC..THydrogen-bonded Turntrans64.211.2-172-41.8-49.2000114.9Q638 A717Q638-N640 PolarHBondContact O-N 2.98Å; N640-A717 WeakPolarHBondContact CA-O 3.17Å; N640-A717 PolarHBondContact N-O 3.16Å
641E95.9Very high97.5Very high68 Ų6835.7 Ų35.732%0.31817%0.174SC..  trans-73.6145.7173.2-166.4172.5-166.500111K617 V637 Q638 K639 F716 A717K617-E641 VanDerWaalsContact CE-OE1 3.29Å; K617-E641 WeakPolarHBondContact CE-OE1 3.17Å; K617-E641 IonicContact NZ-OE1 2.66Å; K617-E641 PolarHBondContact NZ-OE1 3.2Å; K617-E641 IonicContact NZ-OE2 2.73Å; K617-E641 PolarHBondContact NZ-OE2 3.04Å; V637-E641 WeakPolarHBondContact CA-OE2 3.14Å; V637-E641 HydrophobicContact CB-CB 4.43Å; V637-E641 WeakPolarHBondContact CB-OE2 3.12Å; Q638-E641 HydrophobicContact CB-CB 4.49Å; Q638-E641 PolarHBondContact N-OE2 3.2Å; Q638-E641 WeakPolarHBondContact O-CB 3.31Å; Q638-E641 PolarHBondContact O-N 3.18Å; K639-E641 PolarHBondContact O-N 2.6Å; E641-F716 VanDerWaalsContact O-CA 3.26Å; E641-F716 WeakPolarHBondContact O-CA 3.29Å; E641-A717 PolarHBondContact O-N 2.8Å
642F97.5Very high97.3Very high13 Ų1336.3 Ų36.36%0.05718%0.179CC..EExtended strand (participates in β ladder)trans-74.1128.3177.9176.6-110.1000111I611 S615 K616 S644 E645 F716I611-F642 HydrophobicContact CD1-CE2 4.39Å; I611-F642 HydrophobicContact CG1-CD2 4.3Å; I611-F642 HydrophobicContact CG1-CE2 3.58Å; I611-F642 HydrophobicContact CG1-CZ 3.87Å; S615-F642 WeakPolarHBondContact O-CD1 3.34Å; K616-F642 HydrophobicContact CB-CE1 4.28Å; F642-S644 VanDerWaalsContact CE2-O 3.29Å; F642-S644 WeakPolarHBondContact CE2-O 3.45Å; F642-E645 HydrophobicContact CZ-CB 4.29Å; F642-E645 VanDerWaalsContact CZ-N 3.31Å; F642-F716 HydrophobicContact CB-CD1 4.03Å; F642-F716 HydrophobicContact CB-CE1 3.84Å; F642-F716 HydrophobicContact CD2-CD1 4.35Å; F642-F716 AromaticContact CD2-CE1 3.86Å; F642-F716 HydrophobicContact CD2-CE1 3.86Å; F642-F716 AromaticContact CD2-CZ 3.97Å; F642-F716 HydrophobicContact CD2-CZ 3.97Å; F642-F716 HydrophobicContact CG-CE1 4.33Å
643I98.2Very high96.9Very high0 Ų037.4 Ų37.40%019%0.185CC..EExtended strand (participates in β ladder)trans-99-61.2178.9-58.8175.3000109.6K616 K617 L619 I633 V637 I689 C700 I715 A717 I721 L727K616-I643 CarbonylContact C-O 3.56Å; K616-I643 VanDerWaalsContact CA-O 3.28Å; K616-I643 WeakPolarHBondContact CA-O 3.17Å; K616-I643 WeakPolarHBondContact CB-O 3.31Å; K617-I643 PolarHBondContact N-O 3.44Å; L619-I643 HydrophobicContact CD2-CG2 4.02Å; I633-I643 HydrophobicContact CD1-CG2 4.29Å; V637-I643 HydrophobicContact CG2-CD1 4.49Å; V637-I643 HydrophobicContact CG2-CG1 4.43Å; I643-I689 HydrophobicContact CG2-CD1 4.19Å; I643-C700 HydrophobicContact CD1-CB 4.48Å; I643-C700 WeakPolarHBondContact CD1-SG 3.18Å; I643-I715 PolarHBondContact N-O 2.68Å; I643-A717 HydrophobicContact CD1-CB 4.12Å; I643-I721 HydrophobicContact CD1-CD1 4.17Å; I643-L727 HydrophobicContact CD1-CD1 4.33Å; I643-L727 HydrophobicContact CD1-CD2 4.5Å; I643-L727 HydrophobicContact CG2-CD1 3.77Å
644S98.4Very high96.5Very high2 Ų242.8 Ų42.81%0.01421%0.213CC..EExtended strand (participates in β ladder)trans-157.3162.2177.5-171.80000109.9F642 I715F642-S644 VanDerWaalsContact CE2-O 3.29Å; F642-S644 WeakPolarHBondContact CE2-O 3.45Å; S644-I715 WeakPolarHBondContact O-CA 3.45Å; S644-I715 WeakPolarHBondContact O-CB 3.42Å; S644-I715 PolarHBondContact O-N 3.1Å
645E98.3Very high96.2Very high8 Ų838.1 Ų38.14%0.03719%0.193CC..EExtended strand (participates in β ladder)trans-78.2143.7158.9-177.8-176.7170.500108.9I611 F642 C647 N687 I689 R712 I713I611-E645 HydrophobicContact CG2-CB 4.48Å; I611-E645 HydrophobicContact CG2-CG 4.22Å; I611-E645 WeakPolarHBondContact CG2-OE2 3.49Å; F642-E645 HydrophobicContact CZ-CB 4.29Å; F642-E645 VanDerWaalsContact CZ-N 3.31Å; E645-C647 PolarHBondContact O-N 3.38Å; E645-N687 PolarHBondContact O-ND2 2.86Å; E645-N687 PolarHBondContact O-OD1 2.88Å; E645-I689 VanDerWaalsContact O-CG2 3.27Å; E645-I689 WeakPolarHBondContact O-CG2 3.32Å; E645-R712 IonicContact OE1-CZ 3.15Å; E645-R712 IonicContact OE1-NE 2.65Å; E645-R712 PolarHBondContact OE1-NE 2.59Å; E645-R712 IonicContact OE1-NH2 2.97Å; E645-R712 PolarHBondContact OE1-NH2 3.16Å; E645-R712 IonicContact OE2-CZ 3.46Å; E645-R712 IonicContact OE2-NE 3.6Å; E645-R712 IonicContact OE2-NH2 3.63Å; E645-R712 PolarHBondContact OE2-NH2 2.83Å; E645-I713 CarbonylContact C-O 3.48Å; E645-I713 VanDerWaalsContact CA-O 3.26Å; E645-I713 WeakPolarHBondContact CA-O 3.46Å; E645-I713 WeakPolarHBondContact CG-O 3.36Å
646Y98Very high95.9Very high4 Ų435.1 Ų35.12%0.01618%0.178CC..EExtended strand (participates in β ladder)trans-85104.3165.8-168-81.4000107.2F670 F672 V680 A682 I689 I713 F729Y646-F670 PolarHBondContact OH-O 3.38Å; Y646-F672 HydrophobicContact CD1-CB 4.25Å; Y646-F672 HydrophobicContact CE1-CB 4Å; Y646-V680 HydrophobicContact CD1-CG1 4.18Å; Y646-V680 HydrophobicContact CE1-CG1 4.44Å; Y646-A682 HydrophobicContact CE1-CB 3.62Å; Y646-I689 HydrophobicContact CD2-CG2 3.93Å; Y646-I689 HydrophobicContact CG-CG2 4.33Å; Y646-I713 HydrophobicContact CD1-CD1 4.36Å; Y646-I713 PolarHBondContact N-O 2.89Å; Y646-F729 HydrophobicContact CD2-CE1 4.41Å; Y646-F729 HydrophobicContact CD2-CZ 4.25Å; Y646-F729 HydrophobicContact CE2-CE1 4.25Å; Y646-F729 AromaticContact CE2-CZ 3.94Å; Y646-F729 HydrophobicContact CE2-CZ 3.94Å
647C98.3Very high95.5Very high1 Ų136.6 Ų36.61%0.00718%0.182CC..  trans-101.7145.3-178.6-61.80000111.2L116 N119 E645 G686 N687L116-C647 HydrophobicContact CB-CB 4.14Å; N119-C647 WeakPolarHBondContact OD1-CA 3.41Å; E645-C647 PolarHBondContact O-N 3.38Å; C647-G686 WeakPolarHBondContact O-CA 3.39Å; C647-N687 HydrophobicContact CB-CB 4.21Å; C647-N687 WeakPolarHBondContact CB-ND2 3.48Å; C647-N687 PolarHBondContact SG-ND2 3.04Å
648G97.6Very high95Very high0 Ų037.5 Ų37.50%018%0.184CC..EExtended strand (participates in β ladder)trans-161-173.1176.700000113L116 N119 F120 D681 K685L116-G648 WeakPolarHBondContact CD1-O 3.37Å; N119-G648 VanDerWaalsContact CA-O 3.31Å; N119-G648 WeakPolarHBondContact CA-O 3.49Å; N119-G648 PolarHBondContact OD1-N 2.82Å; N119-G648 VanDerWaalsContact OD1-N 3.1Å; F120-G648 PolarHBondContact N-O 3.12Å; F120-G648 VanDerWaalsContact N-O 3.12Å; G648-D681 CarbonylContact C-O 3.57Å; G648-D681 VanDerWaalsContact CA-O 3.3Å; G648-D681 WeakPolarHBondContact CA-O 3.46Å; G648-K685 WeakPolarHBondContact CA-O 3.35Å
649E97.3Very high94.7Very high4 Ų430.7 Ų30.72%0.01915%0.152CC..EExtended strand (participates in β ladder)trans-66.5140.5162.2-56.2-164.1138.300109.5F120 V122 I651 R659 V680 D681 R684 K685F120-E649 CarbonylContact O-C 3.52Å; F120-E649 WeakPolarHBondContact O-CA 3.46Å; V122-E649 HydrophobicContact CG2-CB 3.91Å; V122-E649 HydrophobicContact CG2-CG 4.04Å; E649-I651 HydrophobicContact CB-CG2 4.47Å; E649-R659 IonicContact OE2-CZ 3.79Å; E649-R659 IonicContact OE2-NH1 3.32Å; E649-R659 PolarHBondContact OE2-NH1 3.45Å; E649-R659 IonicContact OE2-NH2 3.79Å; E649-V680 CarbonylContact O-C 3.58Å; E649-V680 VanDerWaalsContact O-CA 3.27Å; E649-V680 WeakPolarHBondContact O-CA 3.32Å; E649-D681 PolarHBondContact N-O 3.29Å; E649-D681 PolarHBondContact O-N 2.87Å; E649-R684 WeakPolarHBondContact OE2-CD 3.44Å; E649-K685 HydrophobicContact CG-CB 3.87Å; E649-K685 HydrophobicContact CG-CD 4.17Å; E649-K685 HydrophobicContact CG-CG 3.94Å; E649-K685 WeakPolarHBondContact OE1-CD 3.41Å; E649-K685 VanDerWaalsContact OE1-CE 3.28Å; E649-K685 WeakPolarHBondContact OE1-CE 3.32Å; E649-K685 WeakPolarHBondContact OE1-CG 3.26Å; E649-K685 IonicContact OE1-NZ 3.68Å; E649-K685 PolarHBondContact OE1-NZ 2.93Å
650I95.7Very high94.2Very high10 Ų1024.8 Ų24.85%0.05113%0.129CC..EExtended strand (participates in β ladder)trans-97126.6166.9-70.9164.7000107.4N119 F120 M121 V122 L296 L674 F678 V679 V680N119-I650 HydrophobicContact CB-CD1 3.48Å; N119-I650 VanDerWaalsContact CB-CD1 3.48Å; N119-I650 HydrophobicContact CB-CG1 3.81Å; F120-I650 PolarHBondContact O-N 2.98Å; M121-I650 HydrophobicContact CE-CB 4.39Å; M121-I650 HydrophobicContact CE-CG2 3.77Å; M121-I650 HydrophobicContact SD-CB 4.05Å; M121-I650 HydrophobicContact SD-CG2 3.57Å; M121-I650 VanDerWaalsContact SD-CG2 3.57Å; V122-I650 PolarHBondContact N-O 2.81Å; L296-I650 HydrophobicContact CD1-CD1 3.69Å; I650-L674 HydrophobicContact CD1-CD2 4.45Å; I650-L674 HydrophobicContact CG1-CD2 4.5Å; I650-F678 HydrophobicContact CG2-CB 3.85Å; I650-F678 HydrophobicContact CG2-CD1 3.41Å; I650-F678 VanDerWaalsContact CG2-CD1 3.41Å; I650-F678 HydrophobicContact CG2-CE1 4.17Å; I650-F678 HydrophobicContact CG2-CG 3.76Å; I650-V679 WeakPolarHBondContact CA-O 3.26Å; I650-V680 HydrophobicContact CG1-CG2 4.06Å
651I94.4Very high93.7Very high1 Ų123.5 Ų23.51%0.00512%0.12CC..EExtended strand (participates in β ladder)trans-133.4159.8-176.955.8174.9000109.9V122 E649 E655 A656 L671 F678 V679 D681V122-I651 HydrophobicContact CB-CG2 4.16Å; E649-I651 HydrophobicContact CB-CG2 4.47Å; I651-E655 HydrophobicContact CB-CB 4.01Å; I651-E655 HydrophobicContact CB-CG 3.66Å; I651-E655 HydrophobicContact CD1-CG 4.08Å; I651-E655 HydrophobicContact CG1-CG 4.42Å; I651-E655 HydrophobicContact CG2-CG 3.7Å; I651-A656 HydrophobicContact CD1-CB 3.84Å; I651-A656 HydrophobicContact CG1-CB 4.31Å; I651-L671 HydrophobicContact CD1-CD2 4.08Å; I651-F678 CarbonylContact O-C 3.42Å; I651-F678 VanDerWaalsContact O-CA 3.29Å; I651-F678 WeakPolarHBondContact O-CA 3.26Å; I651-F678 WeakPolarHBondContact O-CD1 3.46Å; I651-V679 HydrophobicContact CG1-CB 4.13Å; I651-V679 PolarHBondContact N-O 3.41Å; I651-V679 PolarHBondContact O-N 3.4Å; I651-D681 HydrophobicContact CD1-CB 3.78Å; I651-D681 HydrophobicContact CG1-CB 4.39Å
652S93.7Very high93.1Very high14 Ų1421.3 Ų21.310%0.09811%0.111CC..  trans-63.2170.8171.372.90000111.4D124 D654 E655 A656D124-S652 PolarHBondContact OD1-OG 2.87Å; D124-S652 WeakPolarHBondContact OD2-CB 3.38Å; D124-S652 PolarHBondContact OD2-OG 3.5Å; S652-D654 VanDerWaalsContact C-N 3.35Å; S652-D654 PolarHBondContact OG-N 3.09Å; S652-E655 VanDerWaalsContact OG-CB 3.29Å; S652-E655 WeakPolarHBondContact OG-CB 3.44Å; S652-E655 PolarHBondContact OG-N 3.2Å; S652-A656 WeakPolarHBondContact O-CB 3.41Å; S652-A656 PolarHBondContact O-N 2.92Å; S652-A656 VanDerWaalsContact O-N 3.11Å
653Q90.4Very high92.6Very high49 Ų4921.9 Ų21.923%0.22911%0.113CC..Hα-helixtrans-66.4-38.4167.9-62.7-69.5-14.700111E655 A656 D657 N673 N675 N676Q653-E655 PolarHBondContact O-N 3.48Å; Q653-A656 CarbonylContact O-C 3.59Å; Q653-A656 WeakPolarHBondContact O-CA 3.27Å; Q653-A656 WeakPolarHBondContact O-CB 3.24Å; Q653-A656 PolarHBondContact O-N 3.36Å; Q653-A656 VanDerWaalsContact O-N 3.1Å; Q653-D657 PolarHBondContact O-N 3.11Å; Q653-N673 PolarHBondContact NE2-OD1 2.77Å; Q653-N675 PolarHBondContact NE2-O 3.27Å; Q653-N676 WeakPolarHBondContact CG-O 3.37Å; Q653-N676 PolarHBondContact NE2-O 3.44Å
654D90.5Very high91.9Very high113 Ų11325 Ų2560%0.60413%0.129SC*.Hα-helixtrans-65.8-38.8-178.8-52.4-54.8000112.4S652 R658S652-D654 VanDerWaalsContact C-N 3.35Å; S652-D654 PolarHBondContact OG-N 3.09Å; D654-R658 WeakPolarHBondContact O-CB 3.4Å; D654-R658 VanDerWaalsContact O-CG 3.31Å; D654-R658 WeakPolarHBondContact O-CG 3.35Å; D654-R658 PolarHBondContact O-N 2.88Å; D654-R658 PolarHBondContact O-NE 3.37Å
655E91.1Very high91Very high1 Ų127.7 Ų27.71%0.00514%0.141CC..Hα-helixtrans-68.5-35.9170.917872-156.900111.6D124 E125 I651 S652 Q653 R658 R659D124-E655 WeakPolarHBondContact CA-OE2 3.49Å; E125-E655 PolarHBondContact N-OE2 2.86Å; I651-E655 HydrophobicContact CB-CB 4.01Å; I651-E655 HydrophobicContact CB-CG 3.66Å; I651-E655 HydrophobicContact CD1-CG 4.08Å; I651-E655 HydrophobicContact CG1-CG 4.42Å; I651-E655 HydrophobicContact CG2-CG 3.7Å; S652-E655 VanDerWaalsContact OG-CB 3.29Å; S652-E655 WeakPolarHBondContact OG-CB 3.44Å; S652-E655 PolarHBondContact OG-N 3.2Å; Q653-E655 PolarHBondContact O-N 3.48Å; E655-R658 PolarHBondContact O-N 3.41Å; E655-R658 IonicContact OE2-CZ 2.66Å; E655-R658 IonicContact OE2-NH1 3.78Å; E655-R658 PolarHBondContact OE2-NH1 3.47Å; E655-R658 IonicContact OE2-NH2 2.62Å; E655-R658 PolarHBondContact OE2-NH2 2.99Å; E655-R659 WeakPolarHBondContact O-CB 3.32Å; E655-R659 WeakPolarHBondContact O-CG 3.18Å; E655-R659 PolarHBondContact O-N 3.36Å; E655-R659 IonicContact OE1-CZ 2.65Å; E655-R659 IonicContact OE1-NE 2.73Å; E655-R659 PolarHBondContact OE1-NE 2.74Å; E655-R659 IonicContact OE1-NH2 2.74Å; E655-R659 PolarHBondContact OE1-NH2 3.37Å
656A91.5Very high90Very high5 Ų531.6 Ų31.64%0.04116%0.156CC..Hα-helixtrans-66.5-40.9175.200000112I651 S652 Q653 R659 G660 L671 V679I651-A656 HydrophobicContact CD1-CB 3.84Å; I651-A656 HydrophobicContact CG1-CB 4.31Å; S652-A656 WeakPolarHBondContact O-CB 3.41Å; S652-A656 PolarHBondContact O-N 2.92Å; S652-A656 VanDerWaalsContact O-N 3.11Å; Q653-A656 CarbonylContact O-C 3.59Å; Q653-A656 WeakPolarHBondContact O-CA 3.27Å; Q653-A656 WeakPolarHBondContact O-CB 3.24Å; Q653-A656 PolarHBondContact O-N 3.36Å; Q653-A656 VanDerWaalsContact O-N 3.1Å; A656-R659 PolarHBondContact O-N 3.3Å; A656-G660 WeakPolarHBondContact O-CA 3.45Å; A656-G660 PolarHBondContact O-N 3.11Å; A656-L671 HydrophobicContact CB-CD1 4.47Å; A656-L671 WeakPolarHBondContact O-CD1 3.33Å; A656-V679 HydrophobicContact CB-CB 3.78Å; A656-V679 HydrophobicContact CB-CG1 4.07Å; A656-V679 HydrophobicContact CB-CG2 3.54Å
657D89.4Confident89.1Confident104 Ų10436.9 Ų36.956%0.55618%0.182SC*.Hα-helixtrans-68.6-39.8174.8-77.2-9.4000111.8Q653 R659 G660 K661Q653-D657 PolarHBondContact O-N 3.11Å; D657-R659 VanDerWaalsContact C-N 3.35Å; D657-R659 PolarHBondContact O-N 2.88Å; D657-G660 PolarHBondContact O-N 3.34Å; D657-K661 PolarHBondContact O-N 3.48Å
658R88.4Confident88.2Confident24 Ų2439.3 Ų39.39%0.09120%0.199CC..Hα-helixtrans-64.9-34174.4-76.5-175.5-68.795.61.4113.1D124 E125 N152 Y153 D654 E655D124-R658 IonicContact OD2-NH2 3.35Å; D124-R658 PolarHBondContact OD2-NH2 3.33Å; D124-R658 VanDerWaalsContact OD2-NH2 3.11Å; E125-R658 PolarHBondContact O-NH1 2.99Å; N152-R658 HydrophobicContact CB-CG 4.26Å; N152-R658 VanDerWaalsContact O-CD 3.22Å; N152-R658 WeakPolarHBondContact O-CD 3.31Å; Y153-R658 HydrophobicContact CE2-CB 4.25Å; Y153-R658 HydrophobicContact CE2-CG 4.38Å; D654-R658 WeakPolarHBondContact O-CB 3.4Å; D654-R658 VanDerWaalsContact O-CG 3.31Å; D654-R658 WeakPolarHBondContact O-CG 3.35Å; D654-R658 PolarHBondContact O-N 2.88Å; D654-R658 PolarHBondContact O-NE 3.37Å; E655-R658 PolarHBondContact O-N 3.41Å; E655-R658 IonicContact OE2-CZ 2.66Å; E655-R658 IonicContact OE2-NH1 3.78Å; E655-R658 PolarHBondContact OE2-NH1 3.47Å; E655-R658 IonicContact OE2-NH2 2.62Å; E655-R658 PolarHBondContact OE2-NH2 2.99Å
659R90.6Very high87.6Confident7 Ų740.3 Ų40.33%0.02621%0.206CC..Hα-helixtrans-75.7-39.4169.9-72.5179.4-169.8-160.16.6112.3E649 E655 A656 D657 K661 V662 Y663 D681E649-R659 IonicContact OE2-CZ 3.79Å; E649-R659 IonicContact OE2-NH1 3.32Å; E649-R659 PolarHBondContact OE2-NH1 3.45Å; E649-R659 IonicContact OE2-NH2 3.79Å; E655-R659 WeakPolarHBondContact O-CB 3.32Å; E655-R659 WeakPolarHBondContact O-CG 3.18Å; E655-R659 PolarHBondContact O-N 3.36Å; E655-R659 IonicContact OE1-CZ 2.65Å; E655-R659 IonicContact OE1-NE 2.73Å; E655-R659 PolarHBondContact OE1-NE 2.74Å; E655-R659 IonicContact OE1-NH2 2.74Å; E655-R659 PolarHBondContact OE1-NH2 3.37Å; A656-R659 PolarHBondContact O-N 3.3Å; D657-R659 VanDerWaalsContact C-N 3.35Å; D657-R659 PolarHBondContact O-N 2.88Å; R659-K661 PolarHBondContact O-N 3.5Å; R659-V662 WeakPolarHBondContact O-CB 3.43Å; R659-V662 PolarHBondContact O-N 2.78Å; R659-Y663 HydrophobicContact CB-CD2 4.24Å; R659-Y663 HydrophobicContact CB-CE2 3.72Å; R659-Y663 HydrophobicContact CG-CE2 4.48Å; R659-Y663 PolarHBondContact O-N 3.35Å; R659-D681 IonicContact CZ-OD2 3.3Å; R659-D681 IonicContact NH1-OD2 2.69Å; R659-D681 PolarHBondContact NH1-OD2 3.44Å
660G87.3Confident87.2Confident10 Ų1042 Ų4210%0.10321%0.213CC..Hα-helixtrans-52.2-50.4-175.300000112.7A656 D657 V662 Y663 D664A656-G660 WeakPolarHBondContact O-CA 3.45Å; A656-G660 PolarHBondContact O-N 3.11Å; D657-G660 PolarHBondContact O-N 3.34Å; G660-V662 VanDerWaalsContact C-N 3.26Å; G660-V662 PolarHBondContact O-N 3.47Å; G660-Y663 CarbonylContact O-C 3.58Å; G660-Y663 WeakPolarHBondContact O-CA 3.46Å; G660-Y663 WeakPolarHBondContact O-CB 3.47Å; G660-Y663 PolarHBondContact O-N 3.48Å; G660-D664 PolarHBondContact O-N 2.95Å
661K84.3Confident87Confident56 Ų5643.9 Ų43.924%0.24322%0.223CC..Hα-helixtrans-55.8-39.1178.6-62.6-171.5-175.9-177.60113.2F145 E148 N152 D657 R659 K665F145-K661 HydrophobicContact CE2-CB 4.44Å; F145-K661 WeakPolarHBondContact CE2-O 3.31Å; E148-K661 WeakPolarHBondContact OE1-CE 3.44Å; E148-K661 IonicContact OE1-NZ 2.97Å; E148-K661 PolarHBondContact OE1-NZ 2.87Å; N152-K661 PolarHBondContact OD1-NZ 3.01Å; D657-K661 PolarHBondContact O-N 3.48Å; R659-K661 PolarHBondContact O-N 3.5Å; K661-K665 PolarHBondContact O-N 2.93Å
662V85.1Confident86.9Confident21 Ų2145.8 Ų45.813%0.12723%0.231CC..Hα-helixtrans-70.6-39.2176.6-177.60000110.9P132 L149 R659 G660 K665 Y666P132-V662 HydrophobicContact CB-CG1 4.48Å; P132-V662 HydrophobicContact CG-CG1 3.9Å; P132-V662 HydrophobicContact CG-CG2 4.34Å; L149-V662 HydrophobicContact CD1-CG2 3.62Å; L149-V662 HydrophobicContact CD2-CG2 4.19Å; R659-V662 WeakPolarHBondContact O-CB 3.43Å; R659-V662 PolarHBondContact O-N 2.78Å; G660-V662 VanDerWaalsContact C-N 3.26Å; G660-V662 PolarHBondContact O-N 3.47Å; V662-K665 PolarHBondContact O-N 3.3Å; V662-Y666 HydrophobicContact CG1-CD2 3.82Å; V662-Y666 HydrophobicContact CG1-CE2 3.72Å; V662-Y666 VanDerWaalsContact O-CD2 3.24Å; V662-Y666 WeakPolarHBondContact O-CD2 3.37Å; V662-Y666 PolarHBondContact O-N 3.13Å; V662-Y666 VanDerWaalsContact O-N 3.12Å
663Y86.8Confident86.8Confident26 Ų2649.9 Ų49.910%0.10225%0.252CS..Hα-helixtrans-70.6-35.2179.2-63.4-10.4000113.1R659 G660 Y666 M667 C668 L671 D681 T683R659-Y663 HydrophobicContact CB-CD2 4.24Å; R659-Y663 HydrophobicContact CB-CE2 3.72Å; R659-Y663 HydrophobicContact CG-CE2 4.48Å; R659-Y663 PolarHBondContact O-N 3.35Å; G660-Y663 CarbonylContact O-C 3.58Å; G660-Y663 WeakPolarHBondContact O-CA 3.46Å; G660-Y663 WeakPolarHBondContact O-CB 3.47Å; G660-Y663 PolarHBondContact O-N 3.48Å; Y663-Y666 CarbonylContact O-C 3.55Å; Y663-Y666 PolarHBondContact O-N 3.49Å; Y663-M667 PolarHBondContact O-N 3.44Å; Y663-C668 WeakPolarHBondContact CB-O 3.46Å; Y663-C668 PolarHBondContact O-N 3.48Å; Y663-L671 HydrophobicContact CD2-CD1 4.13Å; Y663-L671 HydrophobicContact CD2-CD2 4.4Å; Y663-L671 HydrophobicContact CD2-CG 4.03Å; Y663-L671 HydrophobicContact CE2-CD2 4.06Å; Y663-L671 HydrophobicContact CE2-CG 4.19Å; Y663-D681 PolarHBondContact OH-OD2 2.79Å; Y663-T683 HydrophobicContact CE1-CG2 3.97Å; Y663-T683 HydrophobicContact CE2-CG2 4.36Å; Y663-T683 WeakPolarHBondContact CE2-OG1 3.35Å; Y663-T683 WeakPolarHBondContact OH-CB 3.25Å
664D82.3Confident86.8Confident64 Ų6448.1 Ų48.134%0.34224%0.244SC..Hα-helixtrans-62.2-43.1171.7-73.8-46.4000111.4G660 Y666 M667 Y741G660-D664 PolarHBondContact O-N 2.95Å; D664-Y666 VanDerWaalsContact C-N 3.33Å; D664-Y666 PolarHBondContact O-N 3.38Å; D664-M667 WeakPolarHBondContact O-CE 3.02Å; D664-M667 PolarHBondContact O-N 2.94Å; D664-M667 VanDerWaalsContact O-N 3.08Å; D664-Y741 WeakPolarHBondContact CA-OH 3.24Å; D664-Y741 PolarHBondContact OD1-OH 3.39Å
665K79.3Confident86.7Confident60 Ų6043.2 Ų43.226%0.26122%0.218SC..Hα-helixtrans-69.1-29.9177.7-169.560.1172.9-179.90112.9M134 D142 F145 K661 V662 M667M134-K665 HydrophobicContact SD-CD 4.34Å; M134-K665 HydrophobicContact SD-CG 3.46Å; M134-K665 WeakPolarHBondContact SD-CG 3.31Å; D142-K665 IonicContact OD2-NZ 3.54Å; D142-K665 PolarHBondContact OD2-NZ 3.12Å; F145-K665 HydrophobicContact CD2-CB 4.49Å; F145-K665 HydrophobicContact CE1-CB 4.47Å; F145-K665 HydrophobicContact CE1-CG 4.15Å; F145-K665 HydrophobicContact CE2-CB 3.8Å; F145-K665 HydrophobicContact CE2-CG 4.16Å; F145-K665 HydrophobicContact CZ-CB 3.78Å; F145-K665 HydrophobicContact CZ-CG 3.96Å; K661-K665 PolarHBondContact O-N 2.93Å; V662-K665 PolarHBondContact O-N 3.3Å; K665-M667 VanDerWaalsContact C-N 3.32Å
666Y78.6Confident86.6Confident90 Ų9045.4 Ų45.435%0.35323%0.229SC..THydrogen-bonded Turntrans-84.93.9170.1-74.7-59.5000114.4P132 Y133 V662 Y663 D664 C668P132-Y666 HydrophobicContact CB-CE2 4.16Å; P132-Y666 WeakPolarHBondContact CB-OH 3.5Å; Y133-Y666 PolarHBondContact O-OH 3.42Å; V662-Y666 HydrophobicContact CG1-CD2 3.82Å; V662-Y666 HydrophobicContact CG1-CE2 3.72Å; V662-Y666 VanDerWaalsContact O-CD2 3.24Å; V662-Y666 WeakPolarHBondContact O-CD2 3.37Å; V662-Y666 PolarHBondContact O-N 3.13Å; V662-Y666 VanDerWaalsContact O-N 3.12Å; Y663-Y666 CarbonylContact O-C 3.55Å; Y663-Y666 PolarHBondContact O-N 3.49Å; D664-Y666 VanDerWaalsContact C-N 3.33Å; D664-Y666 PolarHBondContact O-N 3.38Å; Y666-C668 PolarHBondContact O-N 3.46Å; Y666-C668 VanDerWaalsContact O-N 3.1Å; Y666-C668 PolarHBondContact O-SG 2.89Å
667M78.8Confident86.5Confident114 Ų11447.6 Ų47.656%0.56224%0.241SC*.THydrogen-bonded Turntrans51.530.8-179.3-60.3-67.8161.600114.3Y663 D664 K665 Y741Y663-M667 PolarHBondContact O-N 3.44Å; D664-M667 WeakPolarHBondContact O-CE 3.02Å; D664-M667 PolarHBondContact O-N 2.94Å; D664-M667 VanDerWaalsContact O-N 3.08Å; K665-M667 VanDerWaalsContact C-N 3.32Å; M667-Y741 VanDerWaalsContact C-CE1 3.46Å
668C79.3Confident86.7Confident53 Ų5344.1 Ų44.136%0.35822%0.221SC..  trans-151.3113.3175.354.30000112.9Y663 Y666 F670Y663-C668 WeakPolarHBondContact CB-O 3.46Å; Y663-C668 PolarHBondContact O-N 3.48Å; Y666-C668 PolarHBondContact O-N 3.46Å; Y666-C668 VanDerWaalsContact O-N 3.1Å; Y666-C668 PolarHBondContact O-SG 2.89Å; C668-F670 HydrophobicContact CB-CE2 4.49Å
669S84.8Confident87Confident20 Ų2043.1 Ų43.114%0.1422%0.217CC..  trans-115.7133.2176.9-175.10000111.8L671S669-L671 PolarHBondContact OG-N 3.47Å
670F89.8Confident87.3Confident41 Ų4142.8 Ų42.818%0.1822%0.216CC..  trans-113.825.1173-56.5-89.3000112Y646 C668 A682 T683 R690Y646-F670 PolarHBondContact OH-O 3.38Å; C668-F670 HydrophobicContact CB-CE2 4.49Å; F670-A682 HydrophobicContact CB-CB 4.11Å; F670-A682 PolarHBondContact O-N 3.44Å; F670-T683 HydrophobicContact CD2-CG2 4.31Å; F670-R690 VanDerWaalsContact CD2-NH2 3.27Å; F670-R690 WeakPolarHBondContact CE1-O 3.31Å
671L91.4Very high87.7Confident49 Ų4942.3 Ų42.326%0.25721%0.211SC..EExtended strand (participates in β ladder)trans-81.3121.8177.1-61.4177.9000110.4I651 A656 Y663 S669 V679 D681I651-L671 HydrophobicContact CD1-CD2 4.08Å; A656-L671 HydrophobicContact CB-CD1 4.47Å; A656-L671 WeakPolarHBondContact O-CD1 3.33Å; Y663-L671 HydrophobicContact CD2-CD1 4.13Å; Y663-L671 HydrophobicContact CD2-CD2 4.4Å; Y663-L671 HydrophobicContact CD2-CG 4.03Å; Y663-L671 HydrophobicContact CE2-CD2 4.06Å; Y663-L671 HydrophobicContact CE2-CG 4.19Å; S669-L671 PolarHBondContact OG-N 3.47Å; L671-V679 HydrophobicContact CB-CG1 4.05Å; L671-V679 HydrophobicContact CD2-CG1 4.21Å; L671-D681 HydrophobicContact CD2-CB 3.62Å
672F91.8Very high88.3Confident41 Ų4139.7 Ų39.718%0.1820%0.2CC..EExtended strand (participates in β ladder)trans-119.8113.9174.5-160.6-63.2000110.4Y646 L674 V680 A702 V704 I713 F729Y646-F672 HydrophobicContact CD1-CB 4.25Å; Y646-F672 HydrophobicContact CE1-CB 4Å; F672-L674 PolarHBondContact O-N 2.86Å; F672-V680 PolarHBondContact N-O 3.29Å; F672-V680 PolarHBondContact O-N 3.04Å; F672-A702 HydrophobicContact CE2-CB 3.61Å; F672-A702 HydrophobicContact CZ-CB 3.43Å; F672-A702 VanDerWaalsContact CZ-CB 3.43Å; F672-V704 HydrophobicContact CE1-CG2 4.48Å; F672-I713 HydrophobicContact CB-CD1 3.85Å; F672-I713 HydrophobicContact CD1-CD1 3.38Å; F672-I713 HydrophobicContact CD1-CG1 3.85Å; F672-I713 HydrophobicContact CD1-CG2 4.41Å; F672-I713 HydrophobicContact CE1-CD1 4.13Å; F672-I713 HydrophobicContact CE1-CG1 4.1Å; F672-I713 HydrophobicContact CE1-CG2 4.2Å; F672-I713 HydrophobicContact CE2-CG2 4.39Å; F672-I713 HydrophobicContact CG-CD1 3.67Å; F672-I713 HydrophobicContact CG-CG1 4.47Å; F672-I713 HydrophobicContact CZ-CG2 4.2Å; F672-F729 HydrophobicContact CD2-CE2 4.08Å; F672-F729 HydrophobicContact CD2-CZ 4.44Å; F672-F729 HydrophobicContact CE2-CD2 4.4Å; F672-F729 AromaticContact CE2-CE2 3.72Å; F672-F729 HydrophobicContact CE2-CE2 3.72Å; F672-F729 HydrophobicContact CE2-CZ 4.44Å
673N91.1Very high88.8Confident99 Ų9940.1 Ų40.153%0.52920%0.203SC..EExtended strand (participates in β ladder)trans-64.2119.4-177.7-127.4-51.6000111.4Q653Q653-N673 PolarHBondContact NE2-OD1 2.77Å
674L90.6Very high89.2Confident12 Ų1243.6 Ų43.66%0.06322%0.215CC..EExtended strand (participates in β ladder)trans-98.9-45.6-169.7-178.771.2000112.3I650 F672 F678 V680 V704 H711 I713I650-L674 HydrophobicContact CD1-CD2 4.45Å; I650-L674 HydrophobicContact CG1-CD2 4.5Å; F672-L674 PolarHBondContact O-N 2.86Å; L674-F678 WeakPolarHBondContact CB-O 3.42Å; L674-F678 PolarHBondContact N-O 3.02Å; L674-V680 HydrophobicContact CB-CG2 4.05Å; L674-V680 HydrophobicContact CD1-CG2 4.12Å; L674-V680 HydrophobicContact CD2-CG2 3.87Å; L674-V680 HydrophobicContact CG-CG2 4.23Å; L674-V704 HydrophobicContact CD1-CG1 4.14Å; L674-V704 HydrophobicContact CD1-CG2 4.41Å; L674-H711 HydrophobicContact CD1-CB 3.91Å; L674-H711 HydrophobicContact CD2-CB 3.97Å; L674-H711 HydrophobicContact CG-CB 3.79Å; L674-I713 HydrophobicContact CD1-CD1 4Å; L674-I713 HydrophobicContact CD1-CG1 3.7Å
675N89.4Confident89.9Confident10 Ų1042.9 Ų42.95%0.05321%0.209CC..EExtended strand (participates in β ladder)trans-164.3175.6176.66383.4000108.2V522 Q653 D677 F678V522-N675 HydrophobicContact CB-CB 4.48Å; V522-N675 HydrophobicContact CG1-CB 4.46Å; V522-N675 WeakPolarHBondContact O-CB 3.35Å; Q653-N675 PolarHBondContact NE2-O 3.27Å; N675-D677 PolarHBondContact O-N 2.96Å; N675-D677 VanDerWaalsContact O-N 3.11Å; N675-D677 WeakPolarHBondContact OD1-CB 3.42Å; N675-D677 PolarHBondContact OD1-N 3.47Å; N675-F678 PolarHBondContact N-O 2.87Å; N675-F678 VanDerWaalsContact N-O 3.16Å; N675-F678 PolarHBondContact O-N 2.66Å; N675-F678 PolarHBondContact OD1-N 2.98Å
676N89Confident90.8Very high47 Ų4740 Ų4025%0.25120%0.197SC..THydrogen-bonded Turntrans-53.2-36.3-177.6-66.86.5000113.5H521 V522 Y523 Q653H521-N676 WeakPolarHBondContact CA-OD1 3.38Å; H521-N676 VanDerWaalsContact CB-ND2 3.31Å; H521-N676 WeakPolarHBondContact CB-ND2 3.07Å; H521-N676 PolarHBondContact CD2-ND2 3.22Å; V522-N676 PolarHBondContact N-OD1 3.23Å; V522-N676 WeakPolarHBondContact O-CB 3.47Å; V522-N676 PolarHBondContact O-N 2.86Å; V522-N676 PolarHBondContact O-OD1 3.34Å; Y523-N676 HydrophobicContact CD1-CB 4.07Å; Y523-N676 HydrophobicContact CE1-CB 4.15Å; Y523-N676 WeakPolarHBondContact CE1-ND2 3.4Å; Q653-N676 WeakPolarHBondContact CG-O 3.37Å; Q653-N676 PolarHBondContact NE2-O 3.44Å
677D89.3Confident91.7Very high52 Ų5236.2 Ų36.228%0.27818%0.183SC..THydrogen-bonded Turntrans-89.3-17.5-170.1-45.2-28.5000112.1Y523 N524 N675Y523-D677 WeakPolarHBondContact CD1-OD1 3.29Å; N524-D677 HydrophobicContact CB-CB 4.39Å; N524-D677 WeakPolarHBondContact CB-OD2 3.49Å; N524-D677 PolarHBondContact N-OD2 3.21Å; N675-D677 PolarHBondContact O-N 2.96Å; N675-D677 VanDerWaalsContact O-N 3.11Å; N675-D677 WeakPolarHBondContact OD1-CB 3.42Å; N675-D677 PolarHBondContact OD1-N 3.47Å
678F93.8Very high92.6Very high31 Ų3135.3 Ų35.314%0.13618%0.175CC..EExtended strand (participates in β ladder)trans-150.6146-166.1-66.1-73.8000114.8M121 N524 I650 I651 L674 N675M121-F678 HydrophobicContact CE-CD1 4.42Å; M121-F678 HydrophobicContact CE-CE1 3.9Å; M121-F678 HydrophobicContact CE-CZ 4.12Å; M121-F678 HydrophobicContact SD-CD1 4.26Å; M121-F678 HydrophobicContact SD-CE1 3.78Å; N524-F678 HydrophobicContact CB-CD2 3.95Å; N524-F678 HydrophobicContact CB-CE2 3.96Å; N524-F678 VanDerWaalsContact ND2-CE2 3.3Å; N524-F678 WeakPolarHBondContact ND2-CE2 3.36Å; I650-F678 HydrophobicContact CG2-CB 3.85Å; I650-F678 HydrophobicContact CG2-CD1 3.41Å; I650-F678 VanDerWaalsContact CG2-CD1 3.41Å; I650-F678 HydrophobicContact CG2-CE1 4.17Å; I650-F678 HydrophobicContact CG2-CG 3.76Å; I651-F678 CarbonylContact O-C 3.42Å; I651-F678 VanDerWaalsContact O-CA 3.29Å; I651-F678 WeakPolarHBondContact O-CA 3.26Å; I651-F678 WeakPolarHBondContact O-CD1 3.46Å; L674-F678 WeakPolarHBondContact CB-O 3.42Å; L674-F678 PolarHBondContact N-O 3.02Å; N675-F678 PolarHBondContact N-O 2.87Å; N675-F678 VanDerWaalsContact N-O 3.16Å; N675-F678 PolarHBondContact O-N 2.66Å; N675-F678 PolarHBondContact OD1-N 2.98Å
679V94.8Very high93.5Very high3 Ų332.8 Ų32.82%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-114.7152.3171.2-176.30000109.7I650 I651 A656 L671I650-V679 WeakPolarHBondContact CA-O 3.26Å; I651-V679 HydrophobicContact CG1-CB 4.13Å; I651-V679 PolarHBondContact N-O 3.41Å; I651-V679 PolarHBondContact O-N 3.4Å; A656-V679 HydrophobicContact CB-CB 3.78Å; A656-V679 HydrophobicContact CB-CG1 4.07Å; A656-V679 HydrophobicContact CB-CG2 3.54Å; L671-V679 HydrophobicContact CB-CG1 4.05Å; L671-V679 HydrophobicContact CD2-CG1 4.21Å
680V96.4Very high94.1Very high0 Ų032.5 Ų32.50%015%0.154CC..EExtended strand (participates in β ladder)trans-102.8113.5168.8173.90000109.3N119 Y646 E649 I650 F672 L674 I713N119-V680 WeakPolarHBondContact ND2-CG2 3.38Å; Y646-V680 HydrophobicContact CD1-CG1 4.18Å; Y646-V680 HydrophobicContact CE1-CG1 4.44Å; E649-V680 CarbonylContact O-C 3.58Å; E649-V680 VanDerWaalsContact O-CA 3.27Å; E649-V680 WeakPolarHBondContact O-CA 3.32Å; I650-V680 HydrophobicContact CG1-CG2 4.06Å; F672-V680 PolarHBondContact N-O 3.29Å; F672-V680 PolarHBondContact O-N 3.04Å; L674-V680 HydrophobicContact CB-CG2 4.05Å; L674-V680 HydrophobicContact CD1-CG2 4.12Å; L674-V680 HydrophobicContact CD2-CG2 3.87Å; L674-V680 HydrophobicContact CG-CG2 4.23Å; V680-I713 HydrophobicContact CB-CD1 3.85Å; V680-I713 HydrophobicContact CG1-CD1 4.29Å; V680-I713 HydrophobicContact CG2-CD1 3.89Å
681D96.4Very high94.4Very high0 Ų031.2 Ų31.20%015%0.149CC..EExtended strand (participates in β ladder)trans-98.8111.5175.1175.625.1000110.7G648 E649 I651 R659 Y663 L671 T683G648-D681 CarbonylContact C-O 3.57Å; G648-D681 VanDerWaalsContact CA-O 3.3Å; G648-D681 WeakPolarHBondContact CA-O 3.46Å; E649-D681 PolarHBondContact N-O 3.29Å; E649-D681 PolarHBondContact O-N 2.87Å; I651-D681 HydrophobicContact CD1-CB 3.78Å; I651-D681 HydrophobicContact CG1-CB 4.39Å; R659-D681 IonicContact CZ-OD2 3.3Å; R659-D681 IonicContact NH1-OD2 2.69Å; R659-D681 PolarHBondContact NH1-OD2 3.44Å; Y663-D681 PolarHBondContact OH-OD2 2.79Å; L671-D681 HydrophobicContact CD2-CB 3.62Å; D681-T683 VanDerWaalsContact C-N 3.31Å; D681-T683 WeakPolarHBondContact OD1-CB 3.27Å; D681-T683 PolarHBondContact OD1-N 3.23Å; D681-T683 PolarHBondContact OD1-OG1 3.22Å
682A96.9Very high94.7Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-85.93.2175.200000114.1Y646 F670 K685 R690Y646-A682 HydrophobicContact CE1-CB 3.62Å; F670-A682 HydrophobicContact CB-CB 4.11Å; F670-A682 PolarHBondContact O-N 3.44Å; A682-K685 CarbonylContact C-O 3.59Å; A682-K685 WeakPolarHBondContact CA-O 3.48Å; A682-R690 HydrophobicContact CB-CB 3.99Å; A682-R690 PolarHBondContact O-NE 3Å; A682-R690 PolarHBondContact O-NH1 3.18Å
683T94Very high94.8Very high31 Ų3128.7 Ų28.719%0.1914%0.137CC..EExtended strand (participates in β ladder)trans-63.9-57.7-170.2-54.30000112.8Y663 F670 D681 R690Y663-T683 HydrophobicContact CE1-CG2 3.97Å; Y663-T683 HydrophobicContact CE2-CG2 4.36Å; Y663-T683 WeakPolarHBondContact CE2-OG1 3.35Å; Y663-T683 WeakPolarHBondContact OH-CB 3.25Å; F670-T683 HydrophobicContact CD2-CG2 4.31Å; D681-T683 VanDerWaalsContact C-N 3.31Å; D681-T683 WeakPolarHBondContact OD1-CB 3.27Å; D681-T683 PolarHBondContact OD1-N 3.23Å; D681-T683 PolarHBondContact OD1-OG1 3.22Å; T683-R690 PolarHBondContact O-NH1 2.77Å; T683-R690 PolarHBondContact O-NH2 3.29Å
684R94.9Very high94.7Very high98 Ų9825.2 Ų25.237%0.3712%0.118SC..EExtended strand (participates in β ladder)trans-83.7-39.8-176.6-60.9178178-177.7-0.9113W113 S114 E125 E649W113-R684 VanDerWaalsContact CA-O 3.3Å; W113-R684 WeakPolarHBondContact CA-O 3.47Å; S114-R684 PolarHBondContact N-O 3.2Å; E125-R684 IonicContact OE1-CZ 3.99Å; E125-R684 IonicContact OE1-NH1 3.33Å; E125-R684 PolarHBondContact OE1-NH1 3.25Å; E125-R684 IonicContact OE1-NH2 2.65Å; E125-R684 PolarHBondContact OE1-NH2 3.12Å; E125-R684 IonicContact OE2-NH2 2.81Å; E649-R684 WeakPolarHBondContact OE2-CD 3.44Å
685K97.4Very high94.6Very high50 Ų5025 Ų2522%0.21712%0.118CC..EExtended strand (participates in β ladder)trans-135.1138.2178.2-48.9-172-176.2108.30108S114 L116 F120 G648 E649 A682S114-K685 CarbonylContact O-C 3.52Å; S114-K685 VanDerWaalsContact O-CA 3.31Å; S114-K685 WeakPolarHBondContact O-CA 3.39Å; L116-K685 HydrophobicContact CD1-CB 3.7Å; L116-K685 HydrophobicContact CD2-CB 4.36Å; L116-K685 HydrophobicContact CG-CB 3.93Å; F120-K685 HydrophobicContact CG-CD 4.47Å; G648-K685 WeakPolarHBondContact CA-O 3.35Å; E649-K685 HydrophobicContact CG-CB 3.87Å; E649-K685 HydrophobicContact CG-CD 4.17Å; E649-K685 HydrophobicContact CG-CG 3.94Å; E649-K685 WeakPolarHBondContact OE1-CD 3.41Å; E649-K685 VanDerWaalsContact OE1-CE 3.28Å; E649-K685 WeakPolarHBondContact OE1-CE 3.32Å; E649-K685 WeakPolarHBondContact OE1-CG 3.26Å; E649-K685 IonicContact OE1-NZ 3.68Å; E649-K685 PolarHBondContact OE1-NZ 2.93Å; A682-K685 CarbonylContact C-O 3.59Å; A682-K685 WeakPolarHBondContact CA-O 3.48Å
686G97.6Very high94.5Very high0 Ų028.9 Ų28.90%014%0.141CC..EExtended strand (participates in β ladder)trans-172.9-162.1-177.100000113.4W113 S114 P115 L116 C647W113-G686 WeakPolarHBondContact CZ3-O 3.41Å; S114-G686 PolarHBondContact O-N 3.4Å; P115-G686 CarbonylContact C-O 3.52Å; P115-G686 WeakPolarHBondContact CA-O 3.46Å; L116-G686 PolarHBondContact N-O 3.22Å; C647-G686 WeakPolarHBondContact O-CA 3.39Å
687N97.9Very high94.5Very high10 Ų1032.2 Ų32.25%0.05316%0.159CC..  trans-137.1176.5174.97613.5000111.9L116 E645 C647 I689 R690L116-N687 WeakPolarHBondContact O-CB 3.36Å; E645-N687 PolarHBondContact O-ND2 2.86Å; E645-N687 PolarHBondContact O-OD1 2.88Å; C647-N687 HydrophobicContact CB-CB 4.21Å; C647-N687 WeakPolarHBondContact CB-ND2 3.48Å; C647-N687 PolarHBondContact SG-ND2 3.04Å; N687-I689 PolarHBondContact O-N 3.11Å; N687-I689 WeakPolarHBondContact OD1-CG2 3.05Å; N687-I689 PolarHBondContact OD1-N 3.32Å; N687-R690 WeakPolarHBondContact O-CB 3.42Å; N687-R690 VanDerWaalsContact O-CG 3.28Å; N687-R690 WeakPolarHBondContact O-CG 3.42Å; N687-R690 PolarHBondContact O-N 2.7Å
688K98.2Very high94.8Very high94 Ų9430.2 Ų30.241%0.40915%0.149SC..G310 helixtrans-53.1-28.5-171.7-78.1-164.3173.7-167.70115.5L619 I631 R690 F691L619-K688 HydrophobicContact CB-CB 4.2Å; L619-K688 HydrophobicContact CB-CD 4.03Å; L619-K688 HydrophobicContact CD1-CB 4.08Å; L619-K688 WeakPolarHBondContact O-CD 3.42Å; L619-K688 PolarHBondContact O-NZ 3.47Å; I631-K688 HydrophobicContact CD1-CB 4.12Å; I631-K688 VanDerWaalsContact CD1-O 3.3Å; I631-K688 WeakPolarHBondContact CD1-O 3.5Å; I631-K688 WeakPolarHBondContact CG1-O 3.5Å; K688-R690 PolarHBondContact O-N 2.79Å; K688-F691 PolarHBondContact O-N 2.96Å
689I98.1Very high94.9Very high0 Ų029 Ų290%014%0.144CC..G310 helixtrans-75.8-2.7-179.4-152.170000113L619 I631 I643 E645 Y646 N687 F691 A692 I715 L727L619-I689 HydrophobicContact CD1-CB 4.19Å; L619-I689 HydrophobicContact CD1-CD1 3.71Å; L619-I689 HydrophobicContact CD2-CD1 4.43Å; I631-I689 HydrophobicContact CG2-CD1 3.99Å; I643-I689 HydrophobicContact CG2-CD1 4.19Å; E645-I689 VanDerWaalsContact O-CG2 3.27Å; E645-I689 WeakPolarHBondContact O-CG2 3.32Å; Y646-I689 HydrophobicContact CD2-CG2 3.93Å; Y646-I689 HydrophobicContact CG-CG2 4.33Å; N687-I689 PolarHBondContact O-N 3.11Å; N687-I689 WeakPolarHBondContact OD1-CG2 3.05Å; N687-I689 PolarHBondContact OD1-N 3.32Å; I689-F691 PolarHBondContact O-N 3.11Å; I689-A692 HydrophobicContact CD1-CB 3.97Å; I689-A692 HydrophobicContact CG1-CB 4.02Å; I689-A692 WeakPolarHBondContact O-CB 3.09Å; I689-A692 PolarHBondContact O-N 3.29Å; I689-A692 VanDerWaalsContact O-N 3.12Å; I689-I715 HydrophobicContact CG1-CB 4.29Å; I689-I715 HydrophobicContact CG1-CG1 4.02Å; I689-I715 HydrophobicContact CG1-CG2 4.25Å; I689-I715 HydrophobicContact CG2-CG1 4.13Å; I689-L727 HydrophobicContact CD1-CD1 3.79Å
690R96.8Very high95.1Very high14 Ų1429 Ų295%0.05314%0.144CC..G310 helixtrans-62.3-17.7170.478.7170.8-73.8-175.80.4114.2W113 F670 A682 T683 N687 K688W113-R690 VanDerWaalsContact CB-NH1 3.26Å; F670-R690 VanDerWaalsContact CD2-NH2 3.27Å; F670-R690 WeakPolarHBondContact CE1-O 3.31Å; A682-R690 HydrophobicContact CB-CB 3.99Å; A682-R690 PolarHBondContact O-NE 3Å; A682-R690 PolarHBondContact O-NH1 3.18Å; T683-R690 PolarHBondContact O-NH1 2.77Å; T683-R690 PolarHBondContact O-NH2 3.29Å; N687-R690 WeakPolarHBondContact O-CB 3.42Å; N687-R690 VanDerWaalsContact O-CG 3.28Å; N687-R690 WeakPolarHBondContact O-CG 3.42Å; N687-R690 PolarHBondContact O-N 2.7Å; K688-R690 PolarHBondContact O-N 2.79Å
691F97.1Very high95.1Very high15 Ų1531.9 Ų31.97%0.06616%0.155CC..G310 helixtrans-99.615.1177.9-56.6-79000112.2M110 W113 L621 W629 G630 I631 K688 I689 N693M110-F691 HydrophobicContact CE-CZ 4.43Å; M110-F691 HydrophobicContact SD-CZ 4.16Å; W113-F691 AromaticContact CE2-CE2 3.98Å; W113-F691 HydrophobicContact CH2-CE2 4.43Å; W113-F691 AromaticContact CZ2-CE2 3.69Å; W113-F691 HydrophobicContact CZ2-CE2 3.69Å; W113-F691 HydrophobicContact CZ2-CZ 4.17Å; W113-F691 AromaticContact NE1-CZ 3.68Å; L621-F691 HydrophobicContact CD1-CB 4.09Å; L621-F691 HydrophobicContact CD1-CD1 4.18Å; L621-F691 HydrophobicContact CD1-CD2 3.79Å; L621-F691 HydrophobicContact CD1-CE2 4.21Å; L621-F691 HydrophobicContact CD1-CG 3.77Å; W629-F691 HydrophobicContact CB-CD1 3.76Å; W629-F691 HydrophobicContact CB-CE1 4.2Å; G630-F691 CarbonylContact C-O 3.6Å; G630-F691 WeakPolarHBondContact CA-O 3.39Å; I631-F691 HydrophobicContact CB-CB 4.01Å; I631-F691 HydrophobicContact CD1-CB 4.33Å; I631-F691 PolarHBondContact N-O 3.18Å; K688-F691 PolarHBondContact O-N 2.96Å; I689-F691 PolarHBondContact O-N 3.11Å; F691-N693 PolarHBondContact O-N 3.06Å
692A96.6Very high95.1Very high1 Ų132.6 Ų32.61%0.00816%0.161CC..  trans-82109.4168.500000108.6I631 I689 L727 F729 Y731I631-A692 HydrophobicContact CG2-CB 3.66Å; I689-A692 HydrophobicContact CD1-CB 3.97Å; I689-A692 HydrophobicContact CG1-CB 4.02Å; I689-A692 WeakPolarHBondContact O-CB 3.09Å; I689-A692 PolarHBondContact O-N 3.29Å; I689-A692 VanDerWaalsContact O-N 3.12Å; A692-L727 CarbonylContact C-O 3.52Å; A692-L727 WeakPolarHBondContact CA-O 3.34Å; A692-L727 HydrophobicContact CB-CB 4.28Å; A692-L727 VanDerWaalsContact CB-O 3.27Å; A692-L727 WeakPolarHBondContact CB-O 3.43Å; A692-F729 HydrophobicContact CB-CD1 3.85Å; A692-F729 HydrophobicContact CB-CE1 3.97Å; A692-F729 VanDerWaalsContact O-CE1 3.24Å; A692-F729 WeakPolarHBondContact O-CE1 3.24Å; A692-Y731 PolarHBondContact O-OH 3.45Å; A692-Y731 VanDerWaalsContact O-OH 3.11Å
693N93.5Very high94.9Very high35 Ų3534.7 Ų34.719%0.18717%0.17CC..EExtended strand (participates in β ladder)trans-73.1167.6-167.2-79.9-52.4000113.8S624 W629 F691 E726 L727 F728 F729S624-N693 PolarHBondContact OG-ND2 2.94Å; W629-N693 PolarHBondContact O-ND2 3.19Å; F691-N693 PolarHBondContact O-N 3.06Å; N693-E726 PolarHBondContact ND2-OE1 3.26Å; N693-L727 PolarHBondContact N-O 3.35Å; N693-F728 HydrophobicContact CB-CD1 3.66Å; N693-F728 HydrophobicContact CB-CE1 3.75Å; N693-F728 CarbonylContact O-C 3.49Å; N693-F728 WeakPolarHBondContact O-CA 3.39Å; N693-F729 PolarHBondContact O-N 3.09Å
694H89.9Confident95Very high27 Ų2735.2 Ų35.213%0.12517%0.173CC..EExtended strand (participates in β ladder)trans-70.2144.2170.7-174.183000111.2F729 D730 Y731 Y733 V742H694-F729 WeakPolarHBondContact CA-O 3.43Å; H694-D730 IonicContact CE1-OD1 2.68Å; H694-Y731 HydrophobicContact CB-CD1 3.94Å; H694-Y731 HydrophobicContact CB-CD2 4.45Å; H694-Y731 HydrophobicContact CB-CE1 4Å; H694-Y731 HydrophobicContact CB-CG 4.17Å; H694-Y731 WeakPolarHBondContact ND1-CB 3.19Å; H694-Y731 AromaticContact ND1-CD1 3.7Å; H694-Y731 AromaticContact ND1-CG 3.55Å; H694-Y731 PolarHBondContact ND1-N 3.14Å; H694-Y733 AromaticContact ND1-CD2 3.87Å; H694-V742 VanDerWaalsContact CD2-CG2 3.42Å; H694-V742 WeakPolarHBondContact CD2-CG2 3.27Å
695S88.3Confident95Very high8 Ų830.8 Ų30.86%0.05616%0.157CC..  trans-154.6147.9160.2169.50000108.5N697 P698 E745S695-N697 VanDerWaalsContact C-N 3.28Å; S695-N697 PolarHBondContact OG-N 2.76Å; S695-P698 WeakPolarHBondContact O-CD 3.46Å; S695-E745 VanDerWaalsContact CB-OE1 3.26Å; S695-E745 WeakPolarHBondContact CB-OE1 3.41Å; S695-E745 PolarHBondContact OG-OE1 3.35Å
696V87.2Confident94.9Very high90 Ų9029 Ų2955%0.54515%0.149SC..SBendtrans-74.2-22.1170-54.20000112.4P698 E745V696-P698 WeakPolarHBondContact O-CD 3.35Å; V696-E745 PolarHBondContact N-OE2 2.95Å
697N89.4Confident94.9Very high118 Ų11829.1 Ų29.163%0.63115%0.15SC*.SBendtrans-112.448.8179.4-78.5-44.6000113.1S695S695-N697 VanDerWaalsContact C-N 3.28Å; S695-N697 PolarHBondContact OG-N 2.76Å
698P95.1Very high94.7Very high9 Ų930.2 Ų30.26%0.05816%0.156CC..  trans-69.8152.6-164.130.2-38.2000113.6S695 V696 K718 F728 D730S695-P698 WeakPolarHBondContact O-CD 3.46Å; V696-P698 WeakPolarHBondContact O-CD 3.35Å; P698-K718 HydrophobicContact CG-CD 4.34Å; P698-K718 WeakPolarHBondContact O-CD 3.43Å; P698-K718 PolarHBondContact O-NZ 2.86Å; P698-F728 HydrophobicContact CB-CB 4.26Å; P698-F728 VanDerWaalsContact CB-O 3.23Å; P698-F728 WeakPolarHBondContact CB-O 3.48Å; P698-D730 HydrophobicContact CG-CB 3.94Å
699N97.3Very high94.4Very high6 Ų625.7 Ų25.73%0.03214%0.136CC..SBendtrans-84.9-14.4170.865.67.4000113.6K718 R719 I721 E726 F728N699-K718 WeakPolarHBondContact O-CA 3.49Å; N699-K718 WeakPolarHBondContact O-CB 3.33Å; N699-K718 PolarHBondContact O-N 3.12Å; N699-R719 HydrophobicContact CB-CG 4.24Å; N699-I721 HydrophobicContact CB-CD1 4.14Å; N699-I721 HydrophobicContact CB-CG1 4.37Å; N699-E726 PolarHBondContact ND2-O 2.69Å; N699-F728 PolarHBondContact OD1-N 3.17Å; N699-F728 PolarHBondContact OD1-O 3.12Å
700C98.3Very high94.3Very high2 Ų227 Ų271%0.01414%0.143CC..EExtended strand (participates in β ladder)trans-115.6171175.1-57.10000112.8I643 I715 F716 F728 F729I643-C700 HydrophobicContact CD1-CB 4.48Å; I643-C700 WeakPolarHBondContact CD1-SG 3.18Å; C700-I715 HydrophobicContact CB-CG2 4Å; C700-F716 CarbonylContact C-O 3.57Å; C700-F716 VanDerWaalsContact CA-O 3.26Å; C700-F716 WeakPolarHBondContact CA-O 3.38Å; C700-F716 WeakPolarHBondContact CB-O 3.48Å; C700-F728 WeakPolarHBondContact CA-O 3.31Å; C700-F728 VanDerWaalsContact CB-O 3.23Å; C700-F728 WeakPolarHBondContact CB-O 3.26Å; C700-F728 PolarHBondContact N-O 2.97Å; C700-F729 HydrophobicContact CB-CB 4.27Å
701Y96.4Very high94.2Very high62 Ų6227 Ų2724%0.24314%0.144CC..EExtended strand (participates in β ladder)trans-142.3145.3166.567.8-91.7000111.2K703 F716 K718Y701-K703 HydrophobicContact CD2-CB 4.39Å; Y701-K703 HydrophobicContact CE2-CB 4.24Å; Y701-F716 HydrophobicContact CD1-CB 4.32Å; Y701-F716 HydrophobicContact CD2-CB 4.34Å; Y701-F716 HydrophobicContact CE1-CB 3.77Å; Y701-F716 HydrophobicContact CE2-CB 3.77Å; Y701-F716 AromaticContact CE2-CD2 3.99Å; Y701-F716 HydrophobicContact CE2-CD2 3.99Å; Y701-F716 HydrophobicContact CE2-CG 4.12Å; Y701-F716 VanDerWaalsContact CZ-CB 3.44Å; Y701-F716 PolarHBondContact N-O 3Å; Y701-F716 PolarHBondContact O-N 3Å; Y701-K718 HydrophobicContact CD1-CB 3.98Å; Y701-K718 HydrophobicContact CD1-CG 4.32Å
702A95.6Very high94.2Very high14 Ų1427.2 Ų27.212%0.11614%0.144CC..EExtended strand (participates in β ladder)trans-88.1146.2171.300000111.5F672 I713 G714 I715 F729F672-A702 HydrophobicContact CE2-CB 3.61Å; F672-A702 HydrophobicContact CZ-CB 3.43Å; F672-A702 VanDerWaalsContact CZ-CB 3.43Å; A702-I713 HydrophobicContact CB-CG2 4.21Å; A702-G714 CarbonylContact C-O 3.58Å; A702-G714 WeakPolarHBondContact CA-O 3.27Å; A702-I715 HydrophobicContact CB-CD1 3.61Å; A702-F729 HydrophobicContact CB-CD2 4.43Å
703K93.9Very high94.3Very high44 Ų4427.1 Ų27.119%0.19114%0.143CC..EExtended strand (participates in β ladder)trans-146.7110.4175.9-171.8-169.9-177.6-153.70109.8V582 Y701 M705 G714 F716V582-K703 HydrophobicContact CG1-CG 4.45Å; Y701-K703 HydrophobicContact CD2-CB 4.39Å; Y701-K703 HydrophobicContact CE2-CB 4.24Å; K703-M705 HydrophobicContact CD-CG 4.02Å; K703-M705 HydrophobicContact CD-SD 3.85Å; K703-M705 HydrophobicContact CG-CG 4.06Å; K703-M705 PolarHBondContact NZ-SD 3.39Å; K703-M705 PolarHBondContact O-N 3.05Å; K703-G714 PolarHBondContact N-O 3.07Å; K703-G714 PolarHBondContact O-N 2.89Å; K703-F716 HydrophobicContact CB-CD2 4.12Å; K703-F716 HydrophobicContact CB-CE2 3.97Å; K703-F716 HydrophobicContact CD-CE2 4.43Å
704V95.2Very high94.5Very high43 Ų4325.5 Ų25.526%0.26113%0.134SC..EExtended strand (participates in β ladder)trans-61.8130.1165.7-178.70000108.2V582 F672 L674 H711 R712 I713V582-V704 WeakPolarHBondContact CG1-O 3.44Å; F672-V704 HydrophobicContact CE1-CG2 4.48Å; L674-V704 HydrophobicContact CD1-CG1 4.14Å; L674-V704 HydrophobicContact CD1-CG2 4.41Å; V704-H711 HydrophobicContact CG1-CB 4.2Å; V704-R712 WeakPolarHBondContact CA-O 3.48Å; V704-I713 HydrophobicContact CG2-CG1 4.03Å
705M94.6Very high94.9Very high5 Ų524.2 Ų24.23%0.02513%0.129CC..EExtended strand (participates in β ladder)trans-130.5150.6174-56-144.7-58.100110.6V582 E584 I611 K703 V707 R712 F716V582-M705 HydrophobicContact CG1-CB 4.42Å; V582-M705 HydrophobicContact CG1-CG 4.05Å; V582-M705 WeakPolarHBondContact O-CA 3.33Å; E584-M705 HydrophobicContact CG-CE 3.53Å; I611-M705 HydrophobicContact CD1-CE 3.92Å; K703-M705 HydrophobicContact CD-CG 4.02Å; K703-M705 HydrophobicContact CD-SD 3.85Å; K703-M705 HydrophobicContact CG-CG 4.06Å; K703-M705 PolarHBondContact NZ-SD 3.39Å; K703-M705 PolarHBondContact O-N 3.05Å; M705-V707 HydrophobicContact CB-CG2 4.3Å; M705-R712 PolarHBondContact N-O 3.17Å; M705-R712 PolarHBondContact O-N 3.5Å; M705-F716 HydrophobicContact CE-CZ 4.12Å; M705-F716 HydrophobicContact SD-CZ 4.45Å
706M95.6Very high95.3Very high13 Ų1324.9 Ų24.96%0.06413%0.13CC..EExtended strand (participates in β ladder)trans-87.4118.8173.3169.15671.500110V582 R583 E584 G709 H711V582-M706 PolarHBondContact O-N 3.35Å; R583-M706 VanDerWaalsContact CA-O 3.26Å; R583-M706 WeakPolarHBondContact CA-O 3.26Å; R583-M706 HydrophobicContact CG-CB 4.17Å; R583-M706 HydrophobicContact CG-CG 4.43Å; E584-M706 PolarHBondContact N-O 2.98Å; E584-M706 VanDerWaalsContact N-O 3.11Å; M706-G709 WeakPolarHBondContact SD-CA 3.19Å; M706-H711 VanDerWaalsContact CE-CE1 3.48Å; M706-H711 WeakPolarHBondContact CE-CE1 3.45Å
707V97.2Very high95.9Very high2 Ų220.6 Ų20.61%0.01210%0.104CC..EExtended strand (participates in β ladder)trans-129.199-168.5-173.90000109E584 I611 Q612 M705 G709 D710 R712E584-V707 HydrophobicContact CB-CG1 4.28Å; E584-V707 HydrophobicContact CB-CG2 4.26Å; E584-V707 HydrophobicContact CG-CG1 4.47Å; E584-V707 HydrophobicContact CG-CG2 3.97Å; I611-V707 HydrophobicContact CB-CG2 4.41Å; I611-V707 HydrophobicContact CD1-CG2 4.31Å; I611-V707 HydrophobicContact CG2-CG2 4.34Å; Q612-V707 HydrophobicContact CB-CG1 3.77Å; M705-V707 HydrophobicContact CB-CG2 4.3Å; V707-G709 VanDerWaalsContact C-N 3.25Å; V707-G709 PolarHBondContact O-N 3.44Å; V707-D710 PolarHBondContact N-O 3.36Å; V707-D710 PolarHBondContact O-N 3.31Å; V707-R712 HydrophobicContact CB-CG 4.37Å; V707-R712 HydrophobicContact CG2-CB 4.21Å; V707-R712 HydrophobicContact CG2-CG 4.43Å
708N94.4Very high96.2Very high32 Ų3219.2 Ų19.217%0.1719%0.093CC..THydrogen-bonded Turntrans51.538.4-178.6-57.9-68.6000114.6K550 F551 P587 Q612K550-N708 PolarHBondContact NZ-OD1 3.47Å; F551-N708 WeakPolarHBondContact CE2-O 3.25Å; P587-N708 VanDerWaalsContact CD-OD1 3.22Å; P587-N708 WeakPolarHBondContact CD-OD1 3.27Å; Q612-N708 PolarHBondContact OE1-ND2 2.98Å
709G92.4Very high96.4Very high0 Ų024.1 Ų24.10%011%0.11CC..THydrogen-bonded Turntrans93.9-10.9-178.100000114.5R288 Y525 M706 V707R288-G709 VanDerWaalsContact NH2-C 3.33Å; R288-G709 PolarHBondContact NH2-O 3.09Å; Y525-G709 WeakPolarHBondContact CD1-O 3.23Å; M706-G709 WeakPolarHBondContact SD-CA 3.19Å; V707-G709 VanDerWaalsContact C-N 3.25Å; V707-G709 PolarHBondContact O-N 3.44Å
710D95.6Very high96.4Very high26 Ų2626.4 Ų26.414%0.13913%0.13CC..EExtended strand (participates in β ladder)trans-103.5132.2179.9-56-29.4000110.7R288 H297 V707 R712R288-D710 IonicContact CZ-OD1 3.36Å; R288-D710 IonicContact NE-OD1 2.81Å; R288-D710 IonicContact NH2-OD1 2.72Å; R288-D710 PolarHBondContact NH2-OD1 3.2Å; H297-D710 IonicContact CD2-OD1 3.45Å; H297-D710 IonicContact CE1-OD1 2.73Å; H297-D710 IonicContact CE1-OD2 3.2Å; H297-D710 IonicContact NE2-OD1 3.53Å; H297-D710 PolarHBondContact NE2-OD1 3.25Å; H297-D710 IonicContact NE2-OD2 3.36Å; H297-D710 PolarHBondContact NE2-OD2 2.94Å; V707-D710 PolarHBondContact N-O 3.36Å; V707-D710 PolarHBondContact O-N 3.31Å; D710-R712 HydrophobicContact CB-CG 4.21Å
711H95.6Very high96.4Very high15 Ų1526.4 Ų26.47%0.06913%0.13CC..EExtended strand (participates in β ladder)trans-74.1128.9165.8-72.1108.3000109.5V522 Y523 N524 L674 V704 M706V522-H711 WeakPolarHBondContact CG1-NE2 3.49Å; Y523-H711 PolarHBondContact O-CE1 3.33Å; N524-H711 PolarHBondContact OD1-ND1 3.43Å; L674-H711 HydrophobicContact CD1-CB 3.91Å; L674-H711 HydrophobicContact CD2-CB 3.97Å; L674-H711 HydrophobicContact CG-CB 3.79Å; V704-H711 HydrophobicContact CG1-CB 4.2Å; M706-H711 VanDerWaalsContact CE-CE1 3.48Å; M706-H711 WeakPolarHBondContact CE-CE1 3.45Å
712R97Very high96.5Very high19 Ų1929.2 Ų29.27%0.07215%0.146CC..EExtended strand (participates in β ladder)trans-140.9140.3-179.1-56.9-179.376.2172.60.9110.8I611 E645 V704 M705 V707 D710I611-R712 HydrophobicContact CG2-CB 3.93Å; I611-R712 HydrophobicContact CG2-CG 4.47Å; E645-R712 IonicContact OE1-CZ 3.15Å; E645-R712 IonicContact OE1-NE 2.65Å; E645-R712 PolarHBondContact OE1-NE 2.59Å; E645-R712 IonicContact OE1-NH2 2.97Å; E645-R712 PolarHBondContact OE1-NH2 3.16Å; E645-R712 IonicContact OE2-CZ 3.46Å; E645-R712 IonicContact OE2-NE 3.6Å; E645-R712 IonicContact OE2-NH2 3.63Å; E645-R712 PolarHBondContact OE2-NH2 2.83Å; V704-R712 WeakPolarHBondContact CA-O 3.48Å; M705-R712 PolarHBondContact N-O 3.17Å; M705-R712 PolarHBondContact O-N 3.5Å; V707-R712 HydrophobicContact CB-CG 4.37Å; V707-R712 HydrophobicContact CG2-CB 4.21Å; V707-R712 HydrophobicContact CG2-CG 4.43Å; D710-R712 HydrophobicContact CB-CG 4.21Å
713I97.3Very high96.6Very high0 Ų032.9 Ų32.90%017%0.167CC..EExtended strand (participates in β ladder)trans-90.2111-177.6-60.2149.4000109.3E645 Y646 F672 L674 V680 A702 V704 I715E645-I713 CarbonylContact C-O 3.48Å; E645-I713 VanDerWaalsContact CA-O 3.26Å; E645-I713 WeakPolarHBondContact CA-O 3.46Å; E645-I713 WeakPolarHBondContact CG-O 3.36Å; Y646-I713 HydrophobicContact CD1-CD1 4.36Å; Y646-I713 PolarHBondContact N-O 2.89Å; F672-I713 HydrophobicContact CB-CD1 3.85Å; F672-I713 HydrophobicContact CD1-CD1 3.38Å; F672-I713 HydrophobicContact CD1-CG1 3.85Å; F672-I713 HydrophobicContact CD1-CG2 4.41Å; F672-I713 HydrophobicContact CE1-CD1 4.13Å; F672-I713 HydrophobicContact CE1-CG1 4.1Å; F672-I713 HydrophobicContact CE1-CG2 4.2Å; F672-I713 HydrophobicContact CE2-CG2 4.39Å; F672-I713 HydrophobicContact CG-CD1 3.67Å; F672-I713 HydrophobicContact CG-CG1 4.47Å; F672-I713 HydrophobicContact CZ-CG2 4.2Å; L674-I713 HydrophobicContact CD1-CD1 4Å; L674-I713 HydrophobicContact CD1-CG1 3.7Å; V680-I713 HydrophobicContact CB-CD1 3.85Å; V680-I713 HydrophobicContact CG1-CD1 4.29Å; V680-I713 HydrophobicContact CG2-CD1 3.89Å; A702-I713 HydrophobicContact CB-CG2 4.21Å; V704-I713 HydrophobicContact CG2-CG1 4.03Å; I713-I715 HydrophobicContact CG2-CD1 4.05Å
714G97.6Very high96.8Very high0 Ų033 Ų330%018%0.181CC..EExtended strand (participates in β ladder)trans-92.8134.2169.400000111.6A702 K703 F716A702-G714 CarbonylContact C-O 3.58Å; A702-G714 WeakPolarHBondContact CA-O 3.27Å; K703-G714 PolarHBondContact N-O 3.07Å; K703-G714 PolarHBondContact O-N 2.89Å; G714-F716 VanDerWaalsContact C-CE2 3.49Å; G714-F716 VanDerWaalsContact O-CD2 3.3Å; G714-F716 WeakPolarHBondContact O-CD2 3.41Å; G714-F716 WeakPolarHBondContact O-CE2 3.31Å
715I98.3Very high96.9Very high0 Ų033.2 Ų33.20%018%0.178CC..EExtended strand (participates in β ladder)trans-98.7127.9169.8-51.5-56000108.7I643 S644 I689 C700 A702 I713I643-I715 PolarHBondContact N-O 2.68Å; S644-I715 WeakPolarHBondContact O-CA 3.45Å; S644-I715 WeakPolarHBondContact O-CB 3.42Å; S644-I715 PolarHBondContact O-N 3.1Å; I689-I715 HydrophobicContact CG1-CB 4.29Å; I689-I715 HydrophobicContact CG1-CG1 4.02Å; I689-I715 HydrophobicContact CG1-CG2 4.25Å; I689-I715 HydrophobicContact CG2-CG1 4.13Å; C700-I715 HydrophobicContact CB-CG2 4Å; A702-I715 HydrophobicContact CB-CD1 3.61Å; I713-I715 HydrophobicContact CG2-CD1 4.05Å
716F98.2Very high97.1Very high22 Ų2233.4 Ų33.410%0.09618%0.179CC..EExtended strand (participates in β ladder)trans-131.3152.6-174-60.3-95.4000110.9E641 F642 C700 Y701 K703 M705 G714E641-F716 VanDerWaalsContact O-CA 3.26Å; E641-F716 WeakPolarHBondContact O-CA 3.29Å; F642-F716 HydrophobicContact CB-CD1 4.03Å; F642-F716 HydrophobicContact CB-CE1 3.84Å; F642-F716 HydrophobicContact CD2-CD1 4.35Å; F642-F716 AromaticContact CD2-CE1 3.86Å; F642-F716 HydrophobicContact CD2-CE1 3.86Å; F642-F716 AromaticContact CD2-CZ 3.97Å; F642-F716 HydrophobicContact CD2-CZ 3.97Å; F642-F716 HydrophobicContact CG-CE1 4.33Å; C700-F716 CarbonylContact C-O 3.57Å; C700-F716 VanDerWaalsContact CA-O 3.26Å; C700-F716 WeakPolarHBondContact CA-O 3.38Å; C700-F716 WeakPolarHBondContact CB-O 3.48Å; Y701-F716 HydrophobicContact CD1-CB 4.32Å; Y701-F716 HydrophobicContact CD2-CB 4.34Å; Y701-F716 HydrophobicContact CE1-CB 3.77Å; Y701-F716 HydrophobicContact CE2-CB 3.77Å; Y701-F716 AromaticContact CE2-CD2 3.99Å; Y701-F716 HydrophobicContact CE2-CD2 3.99Å; Y701-F716 HydrophobicContact CE2-CG 4.12Å; Y701-F716 VanDerWaalsContact CZ-CB 3.44Å; Y701-F716 PolarHBondContact N-O 3Å; Y701-F716 PolarHBondContact O-N 3Å; K703-F716 HydrophobicContact CB-CD2 4.12Å; K703-F716 HydrophobicContact CB-CE2 3.97Å; K703-F716 HydrophobicContact CD-CE2 4.43Å; M705-F716 HydrophobicContact CE-CZ 4.12Å; M705-F716 HydrophobicContact SD-CZ 4.45Å; G714-F716 VanDerWaalsContact C-CE2 3.49Å; G714-F716 VanDerWaalsContact O-CD2 3.3Å; G714-F716 WeakPolarHBondContact O-CD2 3.41Å; G714-F716 WeakPolarHBondContact O-CE2 3.31Å
717A98.3Very high97.2Very high0 Ų032.8 Ų32.80%018%0.176CC..EExtended strand (participates in β ladder)trans-73.9125.7178.200000112V637 N640 E641 I643 R719 I721V637-A717 HydrophobicContact CG2-CB 3.91Å; N640-A717 WeakPolarHBondContact CA-O 3.17Å; N640-A717 PolarHBondContact N-O 3.16Å; E641-A717 PolarHBondContact O-N 2.8Å; I643-A717 HydrophobicContact CD1-CB 4.12Å; A717-R719 VanDerWaalsContact CB-O 3.28Å; A717-R719 WeakPolarHBondContact CB-O 3.19Å; A717-I721 HydrophobicContact CB-CD1 3.77Å; A717-I721 HydrophobicContact CB-CG1 4.18Å
718K97.4Very high97.1Very high89 Ų8934.4 Ų34.439%0.38718%0.183SC..SBendtrans-77.7-29.3177.9-163.6-168.4-175-177.90112.1K639 P698 N699 Y701K639-K718 WeakPolarHBondContact CD-O 3.42Å; K639-K718 WeakPolarHBondContact CE-O 3.39Å; K639-K718 PolarHBondContact NZ-O 2.82Å; P698-K718 HydrophobicContact CG-CD 4.34Å; P698-K718 WeakPolarHBondContact O-CD 3.43Å; P698-K718 PolarHBondContact O-NZ 2.86Å; N699-K718 WeakPolarHBondContact O-CA 3.49Å; N699-K718 WeakPolarHBondContact O-CB 3.33Å; N699-K718 PolarHBondContact O-N 3.12Å; Y701-K718 HydrophobicContact CD1-CB 3.98Å; Y701-K718 HydrophobicContact CD1-CG 4.32Å
719R97.6Very high97.1Very high112 Ų11233 Ų3342%0.42318%0.175SC..SBendtrans-128.1-174171.155.3164.1173.287.3-8.9110.2K639 N699 A717 E725K639-R719 WeakPolarHBondContact CA-O 3.36Å; N699-R719 HydrophobicContact CB-CG 4.24Å; A717-R719 VanDerWaalsContact CB-O 3.28Å; A717-R719 WeakPolarHBondContact CB-O 3.19Å; R719-E725 IonicContact CZ-OE2 3.29Å; R719-E725 VanDerWaalsContact NH1-CD 3.29Å; R719-E725 IonicContact NH1-OE1 3.45Å; R719-E725 PolarHBondContact NH1-OE1 3.17Å; R719-E725 IonicContact NH1-OE2 3.16Å; R719-E725 PolarHBondContact NH1-OE2 3.03Å; R719-E725 IonicContact NH2-OE2 3.11Å; R719-E725 PolarHBondContact NH2-OE2 3.06Å
720A98.2Very high97Very high55 Ų5536.1 Ų36.146%0.45519%0.192SC..  trans-72.4146.3160.600000109.4V637V637-A720 WeakPolarHBondContact O-CA 3.4Å
721I98.3Very high96.5Very high1 Ų137.3 Ų37.31%0.00520%0.195CC..BIsolated β-bridgetrans-133.1132.7-177.2-50.5177.2000108.3I633 P636 V637 I643 N699 A717 E725 L727I633-I721 HydrophobicContact CG2-CG2 3.87Å; P636-I721 CarbonylContact C-O 3.42Å; P636-I721 VanDerWaalsContact CA-O 3.29Å; P636-I721 WeakPolarHBondContact CA-O 3.23Å; P636-I721 WeakPolarHBondContact CB-O 2.99Å; V637-I721 HydrophobicContact CG2-CB 3.75Å; V637-I721 HydrophobicContact CG2-CD1 4.11Å; V637-I721 HydrophobicContact CG2-CG1 4.12Å; V637-I721 PolarHBondContact N-O 3.36Å; V637-I721 PolarHBondContact O-N 3.03Å; I643-I721 HydrophobicContact CD1-CD1 4.17Å; N699-I721 HydrophobicContact CB-CD1 4.14Å; N699-I721 HydrophobicContact CB-CG1 4.37Å; A717-I721 HydrophobicContact CB-CD1 3.77Å; A717-I721 HydrophobicContact CB-CG1 4.18Å; I721-E725 WeakPolarHBondContact CA-OE1 3.46Å; I721-E725 HydrophobicContact CG2-CB 3.62Å; I721-E725 HydrophobicContact CG2-CG 4.03Å; I721-L727 HydrophobicContact CD1-CD2 3.88Å; I721-L727 HydrophobicContact CG2-CD2 4.02Å
722Q98.3Very high95.6Very high122 Ų12246 Ų4657%0.5723%0.227SC*.  trans-87166-178.6-54.4-59-16.600112.4I633 G724 E725I633-Q722 WeakPolarHBondContact CG2-O 3.43Å; Q722-G724 PolarHBondContact O-N 2.98Å; Q722-E725 HydrophobicContact CB-CG 4.3Å; Q722-E725 PolarHBondContact N-OE1 2.98Å; Q722-E725 PolarHBondContact O-N 2.9Å
723T98.4Very high94.2Very high91 Ų9147.8 Ų47.856%0.55823%0.234SC*.THydrogen-bonded Turntrans-55.3131166.7-78.40000110.5K634 P636K634-T723 WeakPolarHBondContact O-CB 3.41Å; K634-T723 WeakPolarHBondContact O-CG2 3.28Å; K634-T723 PolarHBondContact O-OG1 3.18Å; P636-T723 WeakPolarHBondContact CD-OG1 3.33Å
724G96.8Very high92.3Very high47 Ų4750.5 Ų50.549%0.48525%0.253SS..THydrogen-bonded Turntrans86.50.217400000115.7F632 I633 Q722F632-G724 WeakPolarHBondContact CD1-O 3.49Å; I633-G724 PolarHBondContact O-N 3.38Å; Q722-G724 PolarHBondContact O-N 2.98Å
725E97.8Very high90.1Very high46 Ų4659 Ų5922%0.21529%0.293CS..PPolyproline II helixtrans-72.6137.5171.3-67.6-167.3-121.700111.8F632 I633 R719 I721 Q722F632-E725 WeakPolarHBondContact CA-O 3.48Å; I633-E725 PolarHBondContact N-O 3.15Å; I633-E725 VanDerWaalsContact N-O 3.07Å; R719-E725 IonicContact CZ-OE2 3.29Å; R719-E725 VanDerWaalsContact NH1-CD 3.29Å; R719-E725 IonicContact NH1-OE1 3.45Å; R719-E725 PolarHBondContact NH1-OE1 3.17Å; R719-E725 IonicContact NH1-OE2 3.16Å; R719-E725 PolarHBondContact NH1-OE2 3.03Å; R719-E725 IonicContact NH2-OE2 3.11Å; R719-E725 PolarHBondContact NH2-OE2 3.06Å; I721-E725 WeakPolarHBondContact CA-OE1 3.46Å; I721-E725 HydrophobicContact CG2-CB 3.62Å; I721-E725 HydrophobicContact CG2-CG 4.03Å; Q722-E725 HydrophobicContact CB-CG 4.3Å; Q722-E725 PolarHBondContact N-OE1 2.98Å; Q722-E725 PolarHBondContact O-N 2.9Å
726E98Very high88Confident10 Ų1061.9 Ų61.95%0.04732%0.317CS..BIsolated β-bridgetrans-65.7143.1164.6-167.5174.1168.100110S624 D625 G630 I631 F632 N693 N699 F728S624-E726 WeakPolarHBondContact CA-OE2 3.41Å; S624-E726 WeakPolarHBondContact CB-OE1 3.43Å; S624-E726 VanDerWaalsContact OG-CD 3.25Å; S624-E726 PolarHBondContact OG-OE1 2.88Å; S624-E726 PolarHBondContact OG-OE2 3.18Å; D625-E726 PolarHBondContact N-OE2 2.64Å; D625-E726 VanDerWaalsContact N-OE2 3.13Å; G630-E726 WeakPolarHBondContact CA-OE1 3.31Å; I631-E726 CarbonylContact O-C 3.55Å; I631-E726 WeakPolarHBondContact O-CA 3.27Å; F632-E726 HydrophobicContact CD1-CB 3.82Å; F632-E726 HydrophobicContact CD1-CG 4.49Å; F632-E726 HydrophobicContact CE1-CB 3.56Å; F632-E726 HydrophobicContact CE1-CG 4.16Å; F632-E726 HydrophobicContact CE2-CG 4.28Å; F632-E726 HydrophobicContact CG-CB 4.45Å; F632-E726 HydrophobicContact CZ-CB 3.94Å; F632-E726 HydrophobicContact CZ-CG 4.02Å; N693-E726 PolarHBondContact ND2-OE1 3.26Å; N699-E726 PolarHBondContact ND2-O 2.69Å; E726-F728 HydrophobicContact CB-CE2 3.67Å; E726-F728 HydrophobicContact CB-CZ 3.92Å; E726-F728 HydrophobicContact CG-CE1 4.32Å; E726-F728 HydrophobicContact CG-CE2 3.85Å; E726-F728 HydrophobicContact CG-CZ 3.72Å
727L98.2Very high86.1Confident0 Ų062.9 Ų62.90%032%0.324CS..PPolyproline II helixtrans-101.3123.4-178.4-58.2-175.8000110.9L619 I631 I633 I643 I689 A692 N693 I721L619-L727 HydrophobicContact CD2-CD1 3.62Å; I631-L727 HydrophobicContact CG2-CB 3.99Å; I631-L727 HydrophobicContact CG2-CD1 4.34Å; I631-L727 HydrophobicContact CG2-CG 4.45Å; I631-L727 PolarHBondContact O-N 3.25Å; I633-L727 HydrophobicContact CB-CD1 4.22Å; I633-L727 HydrophobicContact CB-CD2 4.09Å; I633-L727 HydrophobicContact CB-CG 4.34Å; I633-L727 HydrophobicContact CG2-CD2 4.26Å; I643-L727 HydrophobicContact CD1-CD1 4.33Å; I643-L727 HydrophobicContact CD1-CD2 4.5Å; I643-L727 HydrophobicContact CG2-CD1 3.77Å; I689-L727 HydrophobicContact CD1-CD1 3.79Å; A692-L727 CarbonylContact C-O 3.52Å; A692-L727 WeakPolarHBondContact CA-O 3.34Å; A692-L727 HydrophobicContact CB-CB 4.28Å; A692-L727 VanDerWaalsContact CB-O 3.27Å; A692-L727 WeakPolarHBondContact CB-O 3.43Å; N693-L727 PolarHBondContact N-O 3.35Å; I721-L727 HydrophobicContact CD1-CD2 3.88Å; I721-L727 HydrophobicContact CG2-CD2 4.02Å
728F96.1Very high84.1Confident35 Ų3564.3 Ų64.315%0.15434%0.335CS..EExtended strand (participates in β ladder)trans-120.9144.9177.4-56.7-91.1000110.8V626 N693 P698 N699 C700 E726V626-F728 HydrophobicContact CG2-CE1 3.89Å; V626-F728 HydrophobicContact CG2-CZ 3.97Å; N693-F728 HydrophobicContact CB-CD1 3.66Å; N693-F728 HydrophobicContact CB-CE1 3.75Å; N693-F728 CarbonylContact O-C 3.49Å; N693-F728 WeakPolarHBondContact O-CA 3.39Å; P698-F728 HydrophobicContact CB-CB 4.26Å; P698-F728 VanDerWaalsContact CB-O 3.23Å; P698-F728 WeakPolarHBondContact CB-O 3.48Å; N699-F728 PolarHBondContact OD1-N 3.17Å; N699-F728 PolarHBondContact OD1-O 3.12Å; C700-F728 WeakPolarHBondContact CA-O 3.31Å; C700-F728 VanDerWaalsContact CB-O 3.23Å; C700-F728 WeakPolarHBondContact CB-O 3.26Å; C700-F728 PolarHBondContact N-O 2.97Å; E726-F728 HydrophobicContact CB-CE2 3.67Å; E726-F728 HydrophobicContact CB-CZ 3.92Å; E726-F728 HydrophobicContact CG-CE1 4.32Å; E726-F728 HydrophobicContact CG-CE2 3.85Å; E726-F728 HydrophobicContact CG-CZ 3.72Å
729F94.3Very high82Confident2 Ų265.6 Ų65.61%0.00935%0.346CS..EExtended strand (participates in β ladder)trans-133.915416871-88.3000111.6Y646 F672 A692 N693 H694 C700 A702 Y731Y646-F729 HydrophobicContact CD2-CE1 4.41Å; Y646-F729 HydrophobicContact CD2-CZ 4.25Å; Y646-F729 HydrophobicContact CE2-CE1 4.25Å; Y646-F729 AromaticContact CE2-CZ 3.94Å; Y646-F729 HydrophobicContact CE2-CZ 3.94Å; F672-F729 HydrophobicContact CD2-CE2 4.08Å; F672-F729 HydrophobicContact CD2-CZ 4.44Å; F672-F729 HydrophobicContact CE2-CD2 4.4Å; F672-F729 AromaticContact CE2-CE2 3.72Å; F672-F729 HydrophobicContact CE2-CE2 3.72Å; F672-F729 HydrophobicContact CE2-CZ 4.44Å; A692-F729 HydrophobicContact CB-CD1 3.85Å; A692-F729 HydrophobicContact CB-CE1 3.97Å; A692-F729 VanDerWaalsContact O-CE1 3.24Å; A692-F729 WeakPolarHBondContact O-CE1 3.24Å; N693-F729 PolarHBondContact O-N 3.09Å; H694-F729 WeakPolarHBondContact CA-O 3.43Å; C700-F729 HydrophobicContact CB-CB 4.27Å; A702-F729 HydrophobicContact CB-CD2 4.43Å; F729-Y731 HydrophobicContact CD1-CE1 4.15Å; F729-Y731 AromaticContact CD2-CD1 3.72Å; F729-Y731 HydrophobicContact CD2-CD1 3.72Å; F729-Y731 HydrophobicContact CD2-CE1 4.09Å; F729-Y731 HydrophobicContact CE1-CD1 4.29Å; F729-Y731 AromaticContact CE1-CE1 3.68Å; F729-Y731 HydrophobicContact CE1-CE1 3.68Å; F729-Y731 AromaticContact CE2-CD1 3.34Å; F729-Y731 HydrophobicContact CE2-CD1 3.34Å; F729-Y731 AromaticContact CE2-CE1 3.59Å; F729-Y731 HydrophobicContact CE2-CE1 3.59Å; F729-Y731 HydrophobicContact CE2-CG 4.15Å; F729-Y731 HydrophobicContact CG-CD1 4.33Å; F729-Y731 HydrophobicContact CG-CE1 4.34Å; F729-Y731 AromaticContact CZ-CD1 3.67Å; F729-Y731 HydrophobicContact CZ-CD1 3.67Å; F729-Y731 AromaticContact CZ-CE1 3.36Å; F729-Y731 HydrophobicContact CZ-CE1 3.36Å; F729-Y731 WeakPolarHBondContact O-CD1 3.46Å; F729-Y731 PolarHBondContact O-N 3.5Å
730D89Confident80.1Confident66 Ų6665.7 Ų65.735%0.35335%0.35SS..  trans-75117.1174.3162.832.9000109.5H694 P698 R732H694-D730 IonicContact CE1-OD1 2.68Å; P698-D730 HydrophobicContact CG-CB 3.94Å; D730-R732 VanDerWaalsContact C-N 3.31Å; D730-R732 WeakPolarHBondContact OD1-CA 3.27Å; D730-R732 PolarHBondContact OD1-N 3.08Å; D730-R732 VanDerWaalsContact OD2-CG 3.26Å; D730-R732 WeakPolarHBondContact OD2-CG 3.46Å; D730-R732 IonicContact OD2-NE 2.75Å
731Y85.5Confident78Confident52 Ų5265.2 Ų65.220%0.20434%0.336CS..  trans-78.3-15.7179.1-7125.5000112.4A692 H694 F729 Y733A692-Y731 PolarHBondContact O-OH 3.45Å; A692-Y731 VanDerWaalsContact O-OH 3.11Å; H694-Y731 HydrophobicContact CB-CD1 3.94Å; H694-Y731 HydrophobicContact CB-CD2 4.45Å; H694-Y731 HydrophobicContact CB-CE1 4Å; H694-Y731 HydrophobicContact CB-CG 4.17Å; H694-Y731 WeakPolarHBondContact ND1-CB 3.19Å; H694-Y731 AromaticContact ND1-CD1 3.7Å; H694-Y731 AromaticContact ND1-CG 3.55Å; H694-Y731 PolarHBondContact ND1-N 3.14Å; F729-Y731 HydrophobicContact CD1-CE1 4.15Å; F729-Y731 AromaticContact CD2-CD1 3.72Å; F729-Y731 HydrophobicContact CD2-CD1 3.72Å; F729-Y731 HydrophobicContact CD2-CE1 4.09Å; F729-Y731 HydrophobicContact CE1-CD1 4.29Å; F729-Y731 AromaticContact CE1-CE1 3.68Å; F729-Y731 HydrophobicContact CE1-CE1 3.68Å; F729-Y731 AromaticContact CE2-CD1 3.34Å; F729-Y731 HydrophobicContact CE2-CD1 3.34Å; F729-Y731 AromaticContact CE2-CE1 3.59Å; F729-Y731 HydrophobicContact CE2-CE1 3.59Å; F729-Y731 HydrophobicContact CE2-CG 4.15Å; F729-Y731 HydrophobicContact CG-CD1 4.33Å; F729-Y731 HydrophobicContact CG-CE1 4.34Å; F729-Y731 AromaticContact CZ-CD1 3.67Å; F729-Y731 HydrophobicContact CZ-CD1 3.67Å; F729-Y731 AromaticContact CZ-CE1 3.36Å; F729-Y731 HydrophobicContact CZ-CE1 3.36Å; F729-Y731 WeakPolarHBondContact O-CD1 3.46Å; F729-Y731 PolarHBondContact O-N 3.5Å; Y731-Y733 VanDerWaalsContact C-N 3.34Å; Y731-Y733 HydrophobicContact CD2-CE1 4.42Å; Y731-Y733 AromaticContact CD2-CE2 3.64Å; Y731-Y733 HydrophobicContact CD2-CE2 3.64Å; Y731-Y733 AromaticContact CD2-CZ 3.59Å; Y731-Y733 WeakPolarHBondContact CD2-OH 3.44Å; Y731-Y733 HydrophobicContact CE2-CE2 4.45Å; Y731-Y733 HydrophobicContact CG-CE2 4.13Å; Y731-Y733 PolarHBondContact O-N 2.97Å
732R76.8Confident76.1Confident196 Ų19666.7 Ų66.774%0.7435%0.345SS*.  trans56.841.1-173.7-52.7179.2-169.4167.67114.3D730D730-R732 VanDerWaalsContact C-N 3.31Å; D730-R732 WeakPolarHBondContact OD1-CA 3.27Å; D730-R732 PolarHBondContact OD1-N 3.08Å; D730-R732 VanDerWaalsContact OD2-CG 3.26Å; D730-R732 WeakPolarHBondContact OD2-CG 3.46Å; D730-R732 IonicContact OD2-NE 2.75Å
733Y67Low73.9Confident57 Ų5764 Ų6422%0.22435%0.35CS..  trans-50.3149164.8-73.7-55.5000110.8H694 Y731 D737 Y741H694-Y733 AromaticContact ND1-CD2 3.87Å; Y731-Y733 VanDerWaalsContact C-N 3.34Å; Y731-Y733 HydrophobicContact CD2-CE1 4.42Å; Y731-Y733 AromaticContact CD2-CE2 3.64Å; Y731-Y733 HydrophobicContact CD2-CE2 3.64Å; Y731-Y733 AromaticContact CD2-CZ 3.59Å; Y731-Y733 WeakPolarHBondContact CD2-OH 3.44Å; Y731-Y733 HydrophobicContact CE2-CE2 4.45Å; Y731-Y733 HydrophobicContact CG-CE2 4.13Å; Y731-Y733 PolarHBondContact O-N 2.97Å; Y733-D737 HydrophobicContact CD1-CB 4.13Å; Y733-D737 HydrophobicContact CG-CB 4.41Å; Y733-Y741 AromaticContact CD1-CD2 4Å; Y733-Y741 HydrophobicContact CD1-CD2 4Å; Y733-Y741 HydrophobicContact CD1-CE2 4.32Å; Y733-Y741 HydrophobicContact CD2-CD2 4.45Å; Y733-Y741 AromaticContact CE1-CD2 3.66Å; Y733-Y741 HydrophobicContact CE1-CD2 3.66Å; Y733-Y741 AromaticContact CE1-CE2 3.87Å; Y733-Y741 HydrophobicContact CE1-CE2 3.87Å; Y733-Y741 HydrophobicContact CE1-CG 4.34Å; Y733-Y741 HydrophobicContact CE2-CD2 4.13Å; Y733-Y741 HydrophobicContact CE2-CG 4.18Å; Y733-Y741 HydrophobicContact CG-CD2 4.39Å; Y733-Y741 AromaticContact CZ-CD2 3.71Å; Y733-Y741 AromaticContact CZ-CG 3.92Å
734S58.7Low71.5Confident57 Ų5763.7 Ų63.740%0.39934%0.344SS..  trans-61.7159.6167.489.90000109.6A736 D737 A738S734-A736 PolarHBondContact O-N 3.34Å; S734-A736 VanDerWaalsContact O-N 3.15Å; S734-A736 PolarHBondContact OG-N 3.36Å; S734-D737 VanDerWaalsContact CB-OD2 3.27Å; S734-D737 WeakPolarHBondContact CB-OD2 3.26Å; S734-D737 PolarHBondContact O-N 2.82Å; S734-D737 VanDerWaalsContact OG-CG 3.31Å; S734-D737 PolarHBondContact OG-N 3.18Å; S734-D737 PolarHBondContact OG-OD2 2.59Å; S734-A738 WeakPolarHBondContact O-CB 3.41Å; S734-A738 PolarHBondContact O-N 3.46Å
735Q51.1Low69.1Low178 Ų17864.4 Ų64.483%0.83234%0.335SS*.Hα-helixtrans-59.7-26.6176.2-72.6-178.5-21.900112.7L739Q735-L739 WeakPolarHBondContact O-CD1 3.37Å; Q735-L739 WeakPolarHBondContact O-CG 3.47Å
736A53.8Low66.4Low62 Ų6271.4 Ų71.451%0.51236%0.359SS..Hα-helixtrans-76.1-31.3175.600000112.7S734S734-A736 PolarHBondContact O-N 3.34Å; S734-A736 VanDerWaalsContact O-N 3.15Å; S734-A736 PolarHBondContact OG-N 3.36Å
737D57.9Low63.7Low42 Ų4279.2 Ų79.223%0.22540%0.396CS..Hα-helixtrans-87.8-36.1-178-55.2-53.2000111.9Y733 S734 L739 K740 Y741Y733-D737 HydrophobicContact CD1-CB 4.13Å; Y733-D737 HydrophobicContact CG-CB 4.41Å; S734-D737 VanDerWaalsContact CB-OD2 3.27Å; S734-D737 WeakPolarHBondContact CB-OD2 3.26Å; S734-D737 PolarHBondContact O-N 2.82Å; S734-D737 VanDerWaalsContact OG-CG 3.31Å; S734-D737 PolarHBondContact OG-N 3.18Å; S734-D737 PolarHBondContact OG-OD2 2.59Å; D737-L739 PolarHBondContact O-N 3.45Å; D737-K740 WeakPolarHBondContact O-CA 3.09Å; D737-K740 WeakPolarHBondContact O-CB 3.5Å; D737-K740 PolarHBondContact O-N 3.3Å; D737-K740 IonicContact OD1-NZ 2.77Å; D737-K740 PolarHBondContact OD1-NZ 3.4Å; D737-Y741 HydrophobicContact CB-CD2 4.08Å; D737-Y741 HydrophobicContact CB-CE2 4.08Å; D737-Y741 WeakPolarHBondContact O-CD2 3.22Å; D737-Y741 PolarHBondContact O-N 3.4Å
738A56.7Low60.9Low30 Ų3087.5 Ų87.525%0.24844%0.436CS..Hα-helixtrans-55.2-35172.400000111.8S734 K740 V742S734-A738 WeakPolarHBondContact O-CB 3.41Å; S734-A738 PolarHBondContact O-N 3.46Å; A738-K740 VanDerWaalsContact C-N 3.31Å; A738-K740 PolarHBondContact O-N 3.13Å; A738-V742 WeakPolarHBondContact O-CB 3.31Å; A738-V742 WeakPolarHBondContact O-CG2 3.47Å; A738-V742 PolarHBondContact O-N 3.14Å
739L53.6Low58Low117 Ų11793.4 Ų93.461%0.61347%0.465SS*.Hα-helixtrans-69.1-22.1174.6-71.6169.3000114.3Q735 D737Q735-L739 WeakPolarHBondContact O-CD1 3.37Å; Q735-L739 WeakPolarHBondContact O-CG 3.47Å; D737-L739 PolarHBondContact O-N 3.45Å
740K56.8Low54.9Low114 Ų114100.3 Ų100.350%0.49650%0.5SS..Hα-helixtrans-83.8-43.5173.6-56168.9-171162.60111.3D737 A738D737-K740 WeakPolarHBondContact O-CA 3.09Å; D737-K740 WeakPolarHBondContact O-CB 3.5Å; D737-K740 PolarHBondContact O-N 3.3Å; D737-K740 IonicContact OD1-NZ 2.77Å; D737-K740 PolarHBondContact OD1-NZ 3.4Å; A738-K740 VanDerWaalsContact C-N 3.31Å; A738-K740 PolarHBondContact O-N 3.13Å
741Y55.8Low52.5Low44 Ų44106.5 Ų106.517%0.17354%0.544CS..Hα-helixtrans-93.9-18.5-166.7-67.3-66.1000115D664 M667 Y733 D737D664-Y741 WeakPolarHBondContact CA-OH 3.24Å; D664-Y741 PolarHBondContact OD1-OH 3.39Å; M667-Y741 VanDerWaalsContact C-CE1 3.46Å; Y733-Y741 AromaticContact CD1-CD2 4Å; Y733-Y741 HydrophobicContact CD1-CD2 4Å; Y733-Y741 HydrophobicContact CD1-CE2 4.32Å; Y733-Y741 HydrophobicContact CD2-CD2 4.45Å; Y733-Y741 AromaticContact CE1-CD2 3.66Å; Y733-Y741 HydrophobicContact CE1-CD2 3.66Å; Y733-Y741 AromaticContact CE1-CE2 3.87Å; Y733-Y741 HydrophobicContact CE1-CE2 3.87Å; Y733-Y741 HydrophobicContact CE1-CG 4.34Å; Y733-Y741 HydrophobicContact CE2-CD2 4.13Å; Y733-Y741 HydrophobicContact CE2-CG 4.18Å; Y733-Y741 HydrophobicContact CG-CD2 4.39Å; Y733-Y741 AromaticContact CZ-CD2 3.71Å; Y733-Y741 AromaticContact CZ-CG 3.92Å; D737-Y741 HydrophobicContact CB-CD2 4.08Å; D737-Y741 HydrophobicContact CB-CE2 4.08Å; D737-Y741 WeakPolarHBondContact O-CD2 3.22Å; D737-Y741 PolarHBondContact O-N 3.4Å
742V58.6Low50.8Low32 Ų32109.2 Ų109.219%0.19456%0.561CS.*  trans-126.164.9-167.9-1630000111.2H694 A738 I744 E745H694-V742 VanDerWaalsContact CD2-CG2 3.42Å; H694-V742 WeakPolarHBondContact CD2-CG2 3.27Å; A738-V742 WeakPolarHBondContact O-CB 3.31Å; A738-V742 WeakPolarHBondContact O-CG2 3.47Å; A738-V742 PolarHBondContact O-N 3.14Å; V742-I744 VanDerWaalsContact C-N 3.34Å; V742-I744 PolarHBondContact O-N 2.94Å; V742-E745 HydrophobicContact CG1-CG 4.31Å
743G50.3Low49.5Very low65 Ų65104.6 Ų104.667%0.6755%0.551SS**  trans-71.5-19.1-176.200000116
744I49.7Very low48.5Very low85 Ų85107.3 Ų107.344%0.43657%0.57SS.*SBendtrans-103.2-32.3-157.7-58.4175.6000114.2V626 A627 V742 R746 E747V626-I744 HydrophobicContact CG1-CB 4.3Å; V626-I744 HydrophobicContact CG1-CD1 4.2Å; V626-I744 HydrophobicContact CG1-CG2 4.4Å; V626-I744 WeakPolarHBondContact O-CD1 3.23Å; A627-I744 HydrophobicContact CB-CD1 4.32Å; V742-I744 VanDerWaalsContact C-N 3.34Å; V742-I744 PolarHBondContact O-N 2.94Å; I744-R746 PolarHBondContact O-N 3.23Å; I744-E747 PolarHBondContact O-N 3.35Å
745E44.6Very low47.9Very low62 Ų62110.2 Ų110.229%0.2958%0.58SS.*THydrogen-bonded Turntrans-62.8-8.4-175.2-70.8-168.2126.200114.2S695 V696 V742S695-E745 VanDerWaalsContact CB-OE1 3.26Å; S695-E745 WeakPolarHBondContact CB-OE1 3.41Å; S695-E745 PolarHBondContact OG-OE1 3.35Å; V696-E745 PolarHBondContact N-OE2 2.95Å; V742-E745 HydrophobicContact CG1-CG 4.31Å
746R42.7Very low47.7Very low194 Ų194106 Ų10673%0.73256%0.564SS**THydrogen-bonded Turntrans-86-17.8179.8-73.3-172.1175.1-172.8-0.3115.8I744I744-R746 PolarHBondContact O-N 3.23Å
747E40.7Very low47.3Very low173 Ų173108.9 Ų108.981%0.80857%0.567SS**SBendtrans-85.6-9.9-177-63.9-165.2153.100113.7I744I744-E747 PolarHBondContact O-N 3.35Å
748M39.9Very low46.5Very low174 Ų174113.7 Ų113.786%0.85759%0.592SS**SBendtrans-96.2-6.8-178.6-68.8-174.167.600115.2
749E34.1Very low45.7Very low159 Ų159120.2 Ų120.274%0.74362%0.618SS**  trans-104.144.8179-67.4-163.1154.900113.1
750I30.2Very low45.1Very low148 Ų148120.4 Ų120.476%0.75962%0.619SS**  trans-129.494.9167.1-51.1-179.8000110.7
751P37.3Very low44Very low195 Ų195121 Ų121100%1.26663%0.63SS**  trans-80.50161.8-827.1000112.8

Retrieved 751 of 751 residues in 403.2 ms (Link to these results)

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