A0A096M5J3_POEFO Loading...

Ataxin 7 like 1

AlphaFold DB , UniProt , Accession A0A096M5J3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 608 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
1M44.2Very low43.6Very low243 Ų243145.7 Ų145.7100%1.19780%0.8SS**  0121.50-67.1154.8141.900106.1
2T36Very low45.1Very low133 Ų133143.6 Ų143.682%0.81680%0.795SS**  cis-130.7155.522.941.20000113.6
3D39.7Very low46.8Very low128 Ų128136.4 Ų136.468%0.68476%0.761SS**  trans-73.8140.1171.2-165.3-65.3000110.4S5D3-S5 PolarHBondContact OD1-N 3.3Å; D3-S5 PolarHBondContact OD1-OG 2.99Å
4V41.3Very low48.3Very low134 Ų134132.9 Ų132.981%0.81275%0.747SS**  trans-133.486160.6-176.70000108.4R6V4-R6 PolarHBondContact O-N 3.31Å
5S38.9Very low49.5Very low87 Ų87136.3 Ų136.361%0.60875%0.745SS**  trans-52.1127.3178.3-70.40000112.9D3 N7D3-S5 PolarHBondContact OD1-N 3.3Å; D3-S5 PolarHBondContact OD1-OG 2.99Å; S5-N7 PolarHBondContact O-N 3.28Å; S5-N7 VanDerWaalsContact O-N 3.16Å
6R44Very low51.1Low217 Ų217133.6 Ų133.682%0.81973%0.729SS**  trans-73.9100.7171.2-82.6-179.8169.3163.6-3.2110.4V4 F8V4-R6 PolarHBondContact O-N 3.31Å; R6-F8 HydrophobicContact CB-CD2 4.37Å; R6-F8 HydrophobicContact CB-CE2 4.32Å; R6-F8 PolarHBondContact O-N 3.39Å
7N38.5Very low52.6Low158 Ų158129.5 Ų129.585%0.84571%0.709SS**  trans-65.2101.2163.5-79-40.1000110.2S5S5-N7 PolarHBondContact O-N 3.28Å; S5-N7 VanDerWaalsContact O-N 3.16Å
8F40.8Very low53.9Low160 Ų160128.8 Ų128.870%0.70270%0.704SS**  trans-81.7124161.6-83.4-91.6000108.9R6 T10R6-F8 HydrophobicContact CB-CD2 4.37Å; R6-F8 HydrophobicContact CB-CE2 4.32Å; R6-F8 PolarHBondContact O-N 3.39Å; F8-T10 PolarHBondContact O-N 3.43Å
9P48.9Very low55.2Low121 Ų121125.3 Ų125.379%0.78669%0.69SS**  trans-73.596.6171.728.9-32.1000109.9A11P9-A11 PolarHBondContact O-N 2.98Å
10T54Low56.4Low141 Ų141126.2 Ų126.287%0.86569%0.687SS**  trans-71.875.2172.547.20000111.2F8F8-T10 PolarHBondContact O-N 3.43Å
11A53.6Low57.6Low81 Ų81127 Ų12767%0.66968%0.684SS**  trans-152.359.3171.400000111.2P9 S13P9-A11 PolarHBondContact O-N 2.98Å; A11-S13 PolarHBondContact O-N 3.41Å
12T61.3Low59.4Low120 Ų120118 Ų11874%0.73665%0.648SS**  trans-68.281.5169140000109.9
13S67.1Low61.6Low50 Ų50114.7 Ų114.735%0.3563%0.629SS.*  trans-50.6130.9174.2173.20000110A11 Y15 L16 V17A11-S13 PolarHBondContact O-N 3.41Å; S13-Y15 PolarHBondContact O-N 3.28Å; S13-Y15 VanDerWaalsContact O-N 3.09Å; S13-L16 WeakPolarHBondContact O-CB 3.49Å; S13-L16 PolarHBondContact O-N 3.42Å; S13-V17 PolarHBondContact O-N 3.11Å
14P67.9Low63.6Low88 Ų88112.2 Ų112.257%0.57162%0.621SS**Hα-helixtrans-59.5-27.3-177.223.3-33.5000112L16 V17 L18P14-L16 PolarHBondContact O-N 2.9Å; P14-V17 PolarHBondContact O-N 3.38Å; P14-L18 WeakPolarHBondContact O-CB 3.39Å; P14-L18 WeakPolarHBondContact O-CG 3.49Å; P14-L18 PolarHBondContact O-N 3.37Å
15Y66.5Low65.7Low183 Ų183109 Ų10972%0.71860%0.602SS**Hα-helixtrans-61.5-38.1172.2-75.4-87.7000113.3S13 S19S13-Y15 PolarHBondContact O-N 3.28Å; S13-Y15 VanDerWaalsContact O-N 3.09Å; Y15-S19 VanDerWaalsContact O-CB 3.25Å; Y15-S19 WeakPolarHBondContact O-CB 3.37Å; Y15-S19 PolarHBondContact O-N 2.79Å; Y15-S19 PolarHBondContact O-OG 3.3Å
16L75.5Confident67.7Low93 Ų93112.5 Ų112.549%0.48760%0.601SS.*Hα-helixtrans-66.4-47.7175.7-67.2176.8000109.9S13 P14 L18 S19 F20S13-L16 WeakPolarHBondContact O-CB 3.49Å; S13-L16 PolarHBondContact O-N 3.42Å; P14-L16 PolarHBondContact O-N 2.9Å; L16-L18 PolarHBondContact O-N 3.39Å; L16-S19 PolarHBondContact O-N 3.33Å; L16-S19 VanDerWaalsContact O-N 3.15Å; L16-S19 PolarHBondContact O-OG 3.03Å; L16-F20 VanDerWaalsContact O-CD2 3.28Å; L16-F20 WeakPolarHBondContact O-CD2 3.22Å; L16-F20 PolarHBondContact O-N 2.81Å
17V75.9Confident69.4Low64 Ų64109.5 Ų109.539%0.38859%0.59SS.*Hα-helixtrans-58.8-48.7177.8-178.80000111S13 P14 S19 F20 F21S13-V17 PolarHBondContact O-N 3.11Å; P14-V17 PolarHBondContact O-N 3.38Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 3.28Å; V17-F20 PolarHBondContact O-N 2.84Å; V17-F21 HydrophobicContact CG1-CD2 3.84Å; V17-F21 HydrophobicContact CG1-CE2 3.84Å; V17-F21 WeakPolarHBondContact O-CD2 3.48Å; V17-F21 PolarHBondContact O-N 3.24Å
18L75.8Confident71.5Confident118 Ų118106.1 Ų106.162%0.61857%0.569SS**Hα-helixtrans-59.8-40.6175-78.8160.2000112.5P14 L16 F21 A22P14-L18 WeakPolarHBondContact O-CB 3.39Å; P14-L18 WeakPolarHBondContact O-CG 3.49Å; P14-L18 PolarHBondContact O-N 3.37Å; L16-L18 PolarHBondContact O-N 3.39Å; L18-F21 PolarHBondContact O-N 3.06Å; L18-A22 WeakPolarHBondContact O-CB 3.32Å; L18-A22 PolarHBondContact O-N 3.01Å
19S78.2Confident73.4Confident62 Ų62106.5 Ų106.543%0.43457%0.566SS.*Hα-helixtrans-66.4-38.1176.578.10000112.6Y15 L16 V17 A22 C23Y15-S19 VanDerWaalsContact O-CB 3.25Å; Y15-S19 WeakPolarHBondContact O-CB 3.37Å; Y15-S19 PolarHBondContact O-N 2.79Å; Y15-S19 PolarHBondContact O-OG 3.3Å; L16-S19 PolarHBondContact O-N 3.33Å; L16-S19 VanDerWaalsContact O-N 3.15Å; L16-S19 PolarHBondContact O-OG 3.03Å; V17-S19 VanDerWaalsContact C-N 3.34Å; V17-S19 PolarHBondContact O-N 3.28Å; S19-A22 PolarHBondContact O-N 3.16Å; S19-C23 WeakPolarHBondContact O-CB 3.23Å; S19-C23 PolarHBondContact O-N 3.3Å
20F79.8Confident75Confident143 Ų143106 Ų10663%0.62755%0.553SS**Hα-helixtrans-65.5-45173.9-88.5-73.4000111.4L16 V17 C23 C24L16-F20 VanDerWaalsContact O-CD2 3.28Å; L16-F20 WeakPolarHBondContact O-CD2 3.22Å; L16-F20 PolarHBondContact O-N 2.81Å; V17-F20 PolarHBondContact O-N 2.84Å; F20-C23 PolarHBondContact O-N 3.25Å; F20-C24 WeakPolarHBondContact O-CB 3.42Å; F20-C24 PolarHBondContact O-N 3.47Å; F20-C24 PolarHBondContact O-SG 3.05Å; F20-C24 VanDerWaalsContact O-SG 3.35Å
21F80.9Confident76.3Confident144 Ų144106.3 Ų106.363%0.63254%0.538SS*.Hα-helixtrans-61.8-45173.9-87.2-77.2000112.2V17 L18 C23 C24 V25V17-F21 HydrophobicContact CG1-CD2 3.84Å; V17-F21 HydrophobicContact CG1-CE2 3.84Å; V17-F21 WeakPolarHBondContact O-CD2 3.48Å; V17-F21 PolarHBondContact O-N 3.24Å; L18-F21 PolarHBondContact O-N 3.06Å; F21-C23 VanDerWaalsContact C-N 3.33Å; F21-C23 PolarHBondContact O-N 3.47Å; F21-C24 PolarHBondContact O-N 3.48Å; F21-V25 WeakPolarHBondContact O-CG2 3.17Å; F21-V25 PolarHBondContact O-N 2.75Å
22A83.7Confident77.6Confident53 Ų53108.2 Ų108.244%0.43853%0.532SS..Hα-helixtrans-62.1-39.6176.100000112.3L18 S19 R26L18-A22 WeakPolarHBondContact O-CB 3.32Å; L18-A22 PolarHBondContact O-N 3.01Å; S19-A22 PolarHBondContact O-N 3.16Å; A22-R26 WeakPolarHBondContact O-CB 3.33Å; A22-R26 PolarHBondContact O-N 3.32Å
23C81.4Confident78.6Confident63 Ų63111 Ų11143%0.42653%0.529SS..Hα-helixtrans-66.1-44.1174.8-166.90000111.7S19 F20 F21 R26 R27S19-C23 WeakPolarHBondContact O-CB 3.23Å; S19-C23 PolarHBondContact O-N 3.3Å; F20-C23 PolarHBondContact O-N 3.25Å; F21-C23 VanDerWaalsContact C-N 3.33Å; F21-C23 PolarHBondContact O-N 3.47Å; C23-R26 PolarHBondContact O-N 3.16Å; C23-R27 VanDerWaalsContact O-CB 3.29Å; C23-R27 WeakPolarHBondContact O-CB 3.27Å; C23-R27 PolarHBondContact O-N 3.17Å
24C80.9Confident79.2Confident77 Ų77113 Ų11352%0.5253%0.533SS..Hα-helixtrans-60.6-45.9174.7-77.20000112.2F20 F21 R26 R27 E28F20-C24 WeakPolarHBondContact O-CB 3.42Å; F20-C24 PolarHBondContact O-N 3.47Å; F20-C24 PolarHBondContact O-SG 3.05Å; F20-C24 VanDerWaalsContact O-SG 3.35Å; F21-C24 PolarHBondContact O-N 3.48Å; C24-R26 PolarHBondContact O-N 3.19Å; C24-R27 PolarHBondContact O-N 3.05Å; C24-E28 WeakPolarHBondContact O-CB 3.5Å; C24-E28 PolarHBondContact O-N 3.08Å
25V86Confident79.7Confident65 Ų65117.7 Ų117.739%0.39454%0.539SS..Hα-helixtrans-64.4-39.5176.5171.50000111.5F21 E28 R29F21-V25 WeakPolarHBondContact O-CG2 3.17Å; F21-V25 PolarHBondContact O-N 2.75Å; V25-E28 PolarHBondContact O-N 3.06Å; V25-R29 WeakPolarHBondContact O-CB 3.21Å; V25-R29 VanDerWaalsContact O-CG 3.3Å; V25-R29 WeakPolarHBondContact O-CG 3.42Å; V25-R29 PolarHBondContact O-N 2.94Å
26R80.5Confident80.3Confident161 Ų161116.8 Ų116.861%0.60854%0.539SS*.Hα-helixtrans-62-47.8174.3-172.2179.8-66.3140.5-1.4111A22 C23 C24 E28 R29 E30A22-R26 WeakPolarHBondContact O-CB 3.33Å; A22-R26 PolarHBondContact O-N 3.32Å; C23-R26 PolarHBondContact O-N 3.16Å; C24-R26 PolarHBondContact O-N 3.19Å; R26-E28 VanDerWaalsContact C-N 3.33Å; R26-E28 PolarHBondContact O-N 3.43Å; R26-R29 WeakPolarHBondContact O-CB 3.47Å; R26-R29 PolarHBondContact O-N 3.32Å; R26-E30 PolarHBondContact O-N 2.83Å
27R80.9Confident80.6Confident155 Ų155119.9 Ų119.959%0.58555%0.548SS*.Hα-helixtrans-63-36.7177.9-157.8174.6-147.4166.57.3112.3C23 C24 E30 R31C23-R27 VanDerWaalsContact O-CB 3.29Å; C23-R27 WeakPolarHBondContact O-CB 3.27Å; C23-R27 PolarHBondContact O-N 3.17Å; C24-R27 PolarHBondContact O-N 3.05Å; R27-E30 PolarHBondContact O-N 2.99Å; R27-R31 WeakPolarHBondContact O-CG 3.1Å; R27-R31 PolarHBondContact O-N 3.29Å
28E81.2Confident80.5Confident87 Ų87124.7 Ų124.741%0.40756%0.56SS.*Hα-helixtrans-70.2-40.9175.3-155.5-145.5159.500112C24 V25 R26 E30 R31 K32C24-E28 WeakPolarHBondContact O-CB 3.5Å; C24-E28 PolarHBondContact O-N 3.08Å; V25-E28 PolarHBondContact O-N 3.06Å; R26-E28 VanDerWaalsContact C-N 3.33Å; R26-E28 PolarHBondContact O-N 3.43Å; E28-E30 VanDerWaalsContact C-N 3.31Å; E28-E30 PolarHBondContact O-N 3.05Å; E28-R31 PolarHBondContact O-N 2.84Å; E28-K32 WeakPolarHBondContact O-CB 3.47Å; E28-K32 WeakPolarHBondContact O-CG 3.48Å; E28-K32 PolarHBondContact O-N 2.92Å; E28-K32 WeakPolarHBondContact OE1-CE 3.47Å; E28-K32 IonicContact OE1-NZ 2.61Å; E28-K32 PolarHBondContact OE1-NZ 2.76Å; E28-K32 IonicContact OE2-NZ 3.61Å
29R81.3Confident80.2Confident168 Ų168124.9 Ų124.963%0.63456%0.56SS**Hα-helixtrans-61.7-38.1172.4-74.3175.3179.6-166.80.6111.7V25 R26 K32 R33V25-R29 WeakPolarHBondContact O-CB 3.21Å; V25-R29 VanDerWaalsContact O-CG 3.3Å; V25-R29 WeakPolarHBondContact O-CG 3.42Å; V25-R29 PolarHBondContact O-N 2.94Å; R26-R29 WeakPolarHBondContact O-CB 3.47Å; R26-R29 PolarHBondContact O-N 3.32Å; R29-K32 PolarHBondContact O-N 2.75Å; R29-R33 VanDerWaalsContact O-CG 3.32Å; R29-R33 WeakPolarHBondContact O-CG 3.23Å; R29-R33 PolarHBondContact O-N 2.97Å
30E82.1Confident79.6Confident109 Ų109125 Ų12551%0.50956%0.561SS.*Hα-helixtrans-66.6-48173.6-76.4174.2175.300112.2R26 R27 E28 K32 R33 E34R26-E30 PolarHBondContact O-N 2.83Å; R27-E30 PolarHBondContact O-N 2.99Å; E28-E30 VanDerWaalsContact C-N 3.31Å; E28-E30 PolarHBondContact O-N 3.05Å; E30-K32 VanDerWaalsContact C-N 3.26Å; E30-K32 PolarHBondContact O-N 2.79Å; E30-R33 CarbonylContact O-C 3.54Å; E30-R33 WeakPolarHBondContact O-CB 3.47Å; E30-R33 PolarHBondContact O-N 3.29Å; E30-E34 PolarHBondContact O-N 3.19Å
31R81.5Confident79Confident148 Ų148120.7 Ų120.756%0.55855%0.552SS**Hα-helixtrans-56.3-39.4172.7-70.2174-166.41661.8112.2R27 E28 E34 R35R27-R31 WeakPolarHBondContact O-CG 3.1Å; R27-R31 PolarHBondContact O-N 3.29Å; E28-R31 PolarHBondContact O-N 2.84Å; R31-E34 PolarHBondContact O-N 3.18Å; R31-R35 WeakPolarHBondContact O-CB 3.46Å; R31-R35 WeakPolarHBondContact O-CG 3.36Å; R31-R35 PolarHBondContact O-N 2.97Å
32K81.1Confident78.2Confident121 Ų121121 Ų12153%0.52655%0.553SS.*Hα-helixtrans-66.3-41.4175-78.9169.1170.2164.20111.9E28 R29 E30 K36E28-K32 WeakPolarHBondContact O-CB 3.47Å; E28-K32 WeakPolarHBondContact O-CG 3.48Å; E28-K32 PolarHBondContact O-N 2.92Å; E28-K32 WeakPolarHBondContact OE1-CE 3.47Å; E28-K32 IonicContact OE1-NZ 2.61Å; E28-K32 PolarHBondContact OE1-NZ 2.76Å; E28-K32 IonicContact OE2-NZ 3.61Å; R29-K32 PolarHBondContact O-N 2.75Å; E30-K32 VanDerWaalsContact C-N 3.26Å; E30-K32 PolarHBondContact O-N 2.79Å; K32-K36 WeakPolarHBondContact O-CB 3.37Å; K32-K36 PolarHBondContact O-N 3.49Å
33R81.6Confident77.2Confident178 Ų178125.8 Ų125.867%0.67257%0.566SS**Hα-helixtrans-63.5-42.3173-75.3170.6174.1-175.2-3.5111.9R29 E30 K36 K37R29-R33 VanDerWaalsContact O-CG 3.32Å; R29-R33 WeakPolarHBondContact O-CG 3.23Å; R29-R33 PolarHBondContact O-N 2.97Å; E30-R33 CarbonylContact O-C 3.54Å; E30-R33 WeakPolarHBondContact O-CB 3.47Å; E30-R33 PolarHBondContact O-N 3.29Å; R33-K36 PolarHBondContact O-N 3.02Å; R33-K37 WeakPolarHBondContact O-CG 3.49Å; R33-K37 PolarHBondContact O-N 2.86Å
34E80.1Confident76Confident94 Ų94129.4 Ų129.444%0.43958%0.577SS.*Hα-helixtrans-70.2-41.3179.1-156.7-163.8142.700111.9E30 R31 K36 K37 R38E30-E34 PolarHBondContact O-N 3.19Å; R31-E34 PolarHBondContact O-N 3.18Å; E34-K36 VanDerWaalsContact C-N 3.3Å; E34-K36 PolarHBondContact O-N 3.05Å; E34-K37 WeakPolarHBondContact O-CB 3.2Å; E34-K37 PolarHBondContact O-N 3.41Å; E34-K37 VanDerWaalsContact O-N 3.15Å; E34-R38 WeakPolarHBondContact O-CG 3.43Å; E34-R38 PolarHBondContact O-N 3.01Å; E34-R38 IonicContact OE1-CZ 3.2Å; E34-R38 IonicContact OE1-NE 2.87Å; E34-R38 PolarHBondContact OE1-NE 3.29Å; E34-R38 IonicContact OE1-NH2 2.68Å; E34-R38 PolarHBondContact OE1-NH2 3.22Å
35R79Confident74.7Confident186 Ų186131.4 Ų131.470%0.70258%0.579SS**Hα-helixtrans-57.4-42.5169.2-77178.6175.9-173.1-1.5111.5R31 R38 L39R31-R35 WeakPolarHBondContact O-CB 3.46Å; R31-R35 WeakPolarHBondContact O-CG 3.36Å; R31-R35 PolarHBondContact O-N 2.97Å; R35-R38 PolarHBondContact O-N 3.23Å; R35-L39 WeakPolarHBondContact O-CB 3.16Å; R35-L39 VanDerWaalsContact O-CG 3.29Å; R35-L39 WeakPolarHBondContact O-CG 3.46Å; R35-L39 PolarHBondContact O-N 3.4Å
36K79.8Confident73Confident163 Ų163130.5 Ų130.571%0.70958%0.583SS**Hα-helixtrans-64.2-39.6174.6-169.6173.8-178.71780112.4K32 R33 E34 L39 S40K32-K36 WeakPolarHBondContact O-CB 3.37Å; K32-K36 PolarHBondContact O-N 3.49Å; R33-K36 PolarHBondContact O-N 3.02Å; E34-K36 VanDerWaalsContact C-N 3.3Å; E34-K36 PolarHBondContact O-N 3.05Å; K36-L39 PolarHBondContact O-N 3.25Å; K36-S40 WeakPolarHBondContact O-CB 3.45Å; K36-S40 PolarHBondContact O-N 2.87Å
37K80.6Confident71.4Confident158 Ų158132.2 Ų132.269%0.68759%0.59SS**Hα-helixtrans-62.8-46.5172.3-74.9-177.1176.2-173.30111.9R33 E34 L39 S40 A41R33-K37 WeakPolarHBondContact O-CG 3.49Å; R33-K37 PolarHBondContact O-N 2.86Å; E34-K37 WeakPolarHBondContact O-CB 3.2Å; E34-K37 PolarHBondContact O-N 3.41Å; E34-K37 VanDerWaalsContact O-N 3.15Å; K37-L39 VanDerWaalsContact C-N 3.35Å; K37-L39 PolarHBondContact O-N 3.28Å; K37-S40 PolarHBondContact O-N 3.45Å; K37-A41 WeakPolarHBondContact O-CB 3.22Å; K37-A41 PolarHBondContact O-N 3.5Å
38R73.9Confident69.9Low166 Ų166127.2 Ų127.263%0.62658%0.581SS**Hα-helixtrans-64.1-36.1177.2-69.6178.1-176.1-1295.8112.6E34 R35 K42E34-R38 WeakPolarHBondContact O-CG 3.43Å; E34-R38 PolarHBondContact O-N 3.01Å; E34-R38 IonicContact OE1-CZ 3.2Å; E34-R38 IonicContact OE1-NE 2.87Å; E34-R38 PolarHBondContact OE1-NE 3.29Å; E34-R38 IonicContact OE1-NH2 2.68Å; E34-R38 PolarHBondContact OE1-NH2 3.22Å; R35-R38 PolarHBondContact O-N 3.23Å; R38-K42 WeakPolarHBondContact O-CB 3.33Å; R38-K42 PolarHBondContact O-N 3.18Å
39L70.3Confident67.9Low121 Ų121129.3 Ų129.363%0.63459%0.593SS**Hα-helixtrans-70.4-40.8172.9-72.3169000112.1R35 K36 K37 A41 K42 Q43R35-L39 WeakPolarHBondContact O-CB 3.16Å; R35-L39 VanDerWaalsContact O-CG 3.29Å; R35-L39 WeakPolarHBondContact O-CG 3.46Å; R35-L39 PolarHBondContact O-N 3.4Å; K36-L39 PolarHBondContact O-N 3.25Å; K37-L39 VanDerWaalsContact C-N 3.35Å; K37-L39 PolarHBondContact O-N 3.28Å; L39-A41 VanDerWaalsContact C-N 3.34Å; L39-K42 PolarHBondContact O-N 2.79Å; L39-Q43 WeakPolarHBondContact O-CB 3.48Å; L39-Q43 PolarHBondContact O-N 3.46Å
40S64.7Low66Low65 Ų65124.2 Ų124.246%0.45559%0.587SS.*Hα-helixtrans-63-40.6172.6-169.20000111.8K36 K37 Q43 Q44K36-S40 WeakPolarHBondContact O-CB 3.45Å; K36-S40 PolarHBondContact O-N 2.87Å; K37-S40 PolarHBondContact O-N 3.45Å; S40-Q43 PolarHBondContact O-N 2.83Å; S40-Q44 WeakPolarHBondContact O-CB 3.45Å; S40-Q44 PolarHBondContact O-N 3.35Å
41A67.6Low64.1Low53 Ų53123.7 Ų123.744%0.43859%0.591SS.*Hα-helixtrans-62.8-49.8174.400000110.5K37 L39 Q43 Q44 E45K37-A41 WeakPolarHBondContact O-CB 3.22Å; K37-A41 PolarHBondContact O-N 3.5Å; L39-A41 VanDerWaalsContact C-N 3.34Å; A41-Q43 VanDerWaalsContact C-N 3.28Å; A41-Q43 PolarHBondContact O-N 2.96Å; A41-Q44 CarbonylContact O-C 3.55Å; A41-Q44 PolarHBondContact O-N 3.06Å; A41-Q44 VanDerWaalsContact O-N 3.1Å; A41-E45 VanDerWaalsContact O-CB 3.22Å; A41-E45 WeakPolarHBondContact O-CB 3.36Å; A41-E45 PolarHBondContact O-N 3.47Å
42K64.9Low62.1Low150 Ų150122.4 Ų122.465%0.65260%0.595SS**Hα-helixtrans-60.7-32.4173.7-81.3-166.5169.4-166.80113.9R38 L39 G46R38-K42 WeakPolarHBondContact O-CB 3.33Å; R38-K42 PolarHBondContact O-N 3.18Å; L39-K42 PolarHBondContact O-N 2.79Å; K42-G46 PolarHBondContact O-N 3.18Å
43Q61Low60.1Low153 Ų153123.8 Ų123.872%0.71561%0.608SS**Hα-helixtrans-74.2-32.6175.6-169.6171.61200111.9L39 S40 A41 R47L39-Q43 WeakPolarHBondContact O-CB 3.48Å; L39-Q43 PolarHBondContact O-N 3.46Å; S40-Q43 PolarHBondContact O-N 2.83Å; A41-Q43 VanDerWaalsContact C-N 3.28Å; A41-Q43 PolarHBondContact O-N 2.96Å; Q43-R47 WeakPolarHBondContact O-CB 3.27Å; Q43-R47 PolarHBondContact O-N 2.92Å; Q43-R47 VanDerWaalsContact O-N 3.1Å
44Q56.7Low58.5Low140 Ų140123.9 Ų123.965%0.65461%0.608SS**Hα-helixtrans-77.4-34.4173.6-173166.7-10.900112.1S40 A41 R47 A48S40-Q44 WeakPolarHBondContact O-CB 3.45Å; S40-Q44 PolarHBondContact O-N 3.35Å; A41-Q44 CarbonylContact O-C 3.55Å; A41-Q44 PolarHBondContact O-N 3.06Å; A41-Q44 VanDerWaalsContact O-N 3.1Å; Q44-R47 CarbonylContact O-C 3.58Å; Q44-R47 WeakPolarHBondContact O-CA 3.25Å; Q44-R47 WeakPolarHBondContact O-CB 3.14Å; Q44-R47 PolarHBondContact O-N 3.39Å; Q44-A48 WeakPolarHBondContact O-CB 3.28Å; Q44-A48 PolarHBondContact O-N 3.44Å
45E53.3Low57.3Low118 Ų118125.7 Ų125.755%0.55162%0.617SS**Hα-helixtrans-66.6-47.2171.5-174.4178.3-161.700110.5A41 R47 A48 M49A41-E45 VanDerWaalsContact O-CB 3.22Å; A41-E45 WeakPolarHBondContact O-CB 3.36Å; A41-E45 PolarHBondContact O-N 3.47Å; E45-R47 PolarHBondContact O-N 2.97Å; E45-A48 PolarHBondContact O-N 3.2Å; E45-M49 WeakPolarHBondContact O-CB 3.04Å; E45-M49 VanDerWaalsContact O-CG 3.28Å; E45-M49 WeakPolarHBondContact O-CG 3.2Å; E45-M49 PolarHBondContact O-N 2.94Å
46G51.2Low56Low47 Ų47122.6 Ų122.649%0.48561%0.612SS.*Hα-helixtrans-61.1-25.3169.700000113.6K42 A50K42-G46 PolarHBondContact O-N 3.18Å; G46-A50 WeakPolarHBondContact O-CB 3.21Å; G46-A50 PolarHBondContact O-N 3.17Å
47R47.8Very low55Low197 Ų197116.8 Ų116.874%0.74359%0.592SS**Hα-helixtrans-80.5-32.2171.9-166.4176.8-174-176.61.1112.7Q43 Q44 E45 A50 T51Q43-R47 WeakPolarHBondContact O-CB 3.27Å; Q43-R47 PolarHBondContact O-N 2.92Å; Q43-R47 VanDerWaalsContact O-N 3.1Å; Q44-R47 CarbonylContact O-C 3.58Å; Q44-R47 WeakPolarHBondContact O-CA 3.25Å; Q44-R47 WeakPolarHBondContact O-CB 3.14Å; Q44-R47 PolarHBondContact O-N 3.39Å; E45-R47 PolarHBondContact O-N 2.97Å; R47-A50 PolarHBondContact O-N 3.35Å; R47-T51 PolarHBondContact O-N 3.4Å
48A47.5Very low53.9Low50 Ų50111 Ų11141%0.41357%0.571SS.*Hα-helixtrans-74.7-40.3175.600000112Q44 E45 A50 T51 L52Q44-A48 WeakPolarHBondContact O-CB 3.28Å; Q44-A48 PolarHBondContact O-N 3.44Å; E45-A48 PolarHBondContact O-N 3.2Å; A48-A50 PolarHBondContact O-N 2.85Å; A48-T51 WeakPolarHBondContact CA-OG1 3.37Å; A48-T51 PolarHBondContact O-N 3.27Å; A48-T51 PolarHBondContact O-OG1 2.91Å; A48-L52 PolarHBondContact O-N 3.29Å
49M40.9Very low53.1Low130 Ų130107.6 Ų107.664%0.6457%0.571SS**Hα-helixtrans-65.5-26.4171.7-63.5-64.1-98.300111.7E45 T51 L52E45-M49 WeakPolarHBondContact O-CB 3.04Å; E45-M49 VanDerWaalsContact O-CG 3.28Å; E45-M49 WeakPolarHBondContact O-CG 3.2Å; E45-M49 PolarHBondContact O-N 2.94Å; M49-T51 VanDerWaalsContact C-N 3.32Å; M49-L52 HydrophobicContact SD-CD1 4.2Å
50A40.1Very low52.6Low62 Ų62107.7 Ų107.751%0.51257%0.572SS.*Hα-helixtrans-78.9-8.1169.700000114.5G46 R47 A48G46-A50 WeakPolarHBondContact O-CB 3.21Å; G46-A50 PolarHBondContact O-N 3.17Å; R47-A50 PolarHBondContact O-N 3.35Å; A48-A50 PolarHBondContact O-N 2.85Å
51T42.3Very low52.7Low98 Ų98109.1 Ų109.160%0.60158%0.578SS**Hα-helixtrans-100.2-17.9173.446.90000114R47 A48 M49 D53R47-T51 PolarHBondContact O-N 3.4Å; A48-T51 WeakPolarHBondContact CA-OG1 3.37Å; A48-T51 PolarHBondContact O-N 3.27Å; A48-T51 PolarHBondContact O-OG1 2.91Å; M49-T51 VanDerWaalsContact C-N 3.32Å; T51-D53 VanDerWaalsContact C-N 3.3Å; T51-D53 PolarHBondContact O-N 3.05Å
52L39.6Very low52.5Low121 Ų121108.8 Ų108.863%0.63457%0.566SS**Hα-helixtrans-69.7-25.5173.2-92.4159.2000113.1A48 M49 R54A48-L52 PolarHBondContact O-N 3.29Å; M49-L52 HydrophobicContact SD-CD1 4.2Å; L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.07Å
53D39.8Very low51.8Low149 Ų149107.4 Ų107.480%0.79757%0.566SS**THydrogen-bonded Turntrans-88.626.8179.8-163.236.6000114T51T51-D53 VanDerWaalsContact C-N 3.3Å; T51-D53 PolarHBondContact O-N 3.05Å
54R47.5Very low51.4Low181 Ų181106.7 Ų106.768%0.68358%0.576SS**  trans-126.543.5177.9-55-161.791.9130.43.9113.5L52 I56L52-R54 VanDerWaalsContact C-N 3.28Å; L52-R54 PolarHBondContact O-N 3.07Å; R54-I56 VanDerWaalsContact C-N 3.25Å
55Q54.2Low51.8Low132 Ų132105.6 Ų105.662%0.61757%0.571SS**SBendtrans-75.8-11.6169.5-64.1-161.72900113.7N81Q55-N81 PolarHBondContact OE1-ND2 3.49Å
56I53.1Low52.6Low120 Ų120103.7 Ų103.762%0.61557%0.569SS**SBendtrans-106.3125.6172.2-53.5177.7000108.7R54 S58 F70 T74R54-I56 VanDerWaalsContact C-N 3.25Å; I56-S58 PolarHBondContact O-N 2.88Å; I56-F70 HydrophobicContact CG2-CE2 4.29Å; I56-F70 HydrophobicContact CG2-CZ 3.96Å; I56-T74 HydrophobicContact CG2-CG2 4.34Å
57P58.9Low53Low42 Ų42111.3 Ų111.327%0.27358%0.583SS.*  trans-54.6138.5172.4-25.735.2000111.6F62P57-F62 HydrophobicContact CB-CE2 3.69Å; P57-F62 HydrophobicContact CB-CZ 4.43Å; P57-F62 HydrophobicContact CG-CE2 4.46Å
58S56.6Low54.2Low37 Ų37105.7 Ų105.726%0.25957%0.574SS.*  trans-61.4130.6176.844.60000110.8I56 D60 T61I56-S58 PolarHBondContact O-N 2.88Å; S58-D60 PolarHBondContact O-N 2.57Å; S58-T61 PolarHBondContact O-N 3.18Å; S58-T61 PolarHBondContact O-OG1 3.38Å
59P57.5Low55.2Low94 Ų94105.4 Ų105.461%0.6157%0.569SS**G310 helixtrans-54.5-26.9-179.4-28.435.7000114.3T61 F62P59-T61 PolarHBondContact O-N 2.81Å; P59-F62 PolarHBondContact O-N 3.03Å
60D59.3Low56.8Low123 Ų123101.2 Ų101.266%0.65855%0.547SS*.G310 helixtrans-64.4-17.2178.3-56.8-58.6000114.2S58 F62 L63S58-D60 PolarHBondContact O-N 2.57Å; D60-F62 VanDerWaalsContact C-N 3.32Å; D60-L63 HydrophobicContact CB-CD1 4.4Å; D60-L63 WeakPolarHBondContact O-CG 3.44Å
61T66.1Low58.3Low94 Ų94101.7 Ų101.758%0.57754%0.544SS*.G310 helixtrans-84.5-3.2175.358.30000114S58 P59S58-T61 PolarHBondContact O-N 3.18Å; S58-T61 PolarHBondContact O-OG1 3.38Å; P59-T61 PolarHBondContact O-N 2.81Å
62F64.1Low59.6Low46 Ų46100.5 Ų100.520%0.20254%0.539CS..G310 helixtrans-119.320.2179-64.6-92.4000112.2P57 P59 D60 C64 E65 F70 A73P57-F62 HydrophobicContact CB-CE2 3.69Å; P57-F62 HydrophobicContact CB-CZ 4.43Å; P57-F62 HydrophobicContact CG-CE2 4.46Å; P59-F62 PolarHBondContact O-N 3.03Å; D60-F62 VanDerWaalsContact C-N 3.32Å; F62-C64 PolarHBondContact O-N 2.87Å; F62-E65 HydrophobicContact CB-CB 4.5Å; F62-E65 PolarHBondContact O-N 3.11Å; F62-E65 VanDerWaalsContact O-N 3.16Å; F62-F70 HydrophobicContact CD1-CB 4.23Å; F62-F70 AromaticContact CD2-CD2 3.83Å; F62-F70 HydrophobicContact CD2-CD2 3.83Å; F62-F70 HydrophobicContact CE2-CD2 4.02Å; F62-F70 HydrophobicContact CG-CB 4.18Å; F62-F70 HydrophobicContact CG-CD2 4.31Å; F62-A73 HydrophobicContact CE1-CB 4.27Å; F62-A73 HydrophobicContact CZ-CB 3.86Å
63L50.2Low60.9Low122 Ų12296.2 Ų96.264%0.63952%0.521SS*.THydrogen-bonded Turntrans-64.5128.8174.7-64.5173.5000109.8D60 E65D60-L63 HydrophobicContact CB-CD1 4.4Å; D60-L63 WeakPolarHBondContact O-CG 3.44Å; L63-E65 VanDerWaalsContact C-N 3.32Å
64C53.4Low62Low138 Ų13891.4 Ų91.493%0.93250%0.497SS*.THydrogen-bonded Turntrans74.9-0.2-172.7-53.60000116.9F62F62-C64 PolarHBondContact O-N 2.87Å
65E63.7Low62.5Low116 Ų11690.2 Ų90.254%0.54250%0.497SS..SBendtrans-91.1153.1172.4-77-6413800112.6F62 L63F62-E65 HydrophobicContact CB-CB 4.5Å; F62-E65 PolarHBondContact O-N 3.11Å; F62-E65 VanDerWaalsContact O-N 3.16Å; L63-E65 VanDerWaalsContact C-N 3.32Å
66P71.1Confident62.4Low79 Ų7989.6 Ų89.651%0.51350%0.498SS..  trans-63.5145172.1-20.633.8000112.3S68 S69P66-S68 PolarHBondContact O-N 2.96Å; P66-S69 WeakPolarHBondContact O-CB 3.41Å; P66-S69 PolarHBondContact O-N 3.15Å
67W60.3Low62.3Low206 Ų20691.8 Ų91.878%0.7850%0.498SS*.Hα-helixtrans-54.6-26.6-179.7-103.179.3000114.7S69 F70 V71W67-S69 VanDerWaalsContact C-N 3.27Å; W67-S69 PolarHBondContact O-N 3.01Å; W67-F70 PolarHBondContact O-N 3.04Å; W67-V71 HydrophobicContact CE3-CG2 4.37Å; W67-V71 WeakPolarHBondContact O-CG2 3.35Å; W67-V71 PolarHBondContact O-N 3.24Å
68S71.3Confident61.8Low80 Ų8098.4 Ų98.456%0.55952%0.523SS*.Hα-helixtrans-61.4-31.517548.20000113.4P66 S72P66-S68 PolarHBondContact O-N 2.96Å; S68-S72 WeakPolarHBondContact O-CB 3.38Å; S68-S72 PolarHBondContact O-N 2.69Å; S68-S72 PolarHBondContact O-OG 2.82Å
69S68.6Low61.4Low43 Ų43101.3 Ų101.330%0.30154%0.539SS..Hα-helixtrans-65.2-49178.4-174.60000111.3P66 W67 S72 A73P66-S69 WeakPolarHBondContact O-CB 3.41Å; P66-S69 PolarHBondContact O-N 3.15Å; W67-S69 VanDerWaalsContact C-N 3.27Å; W67-S69 PolarHBondContact O-N 3.01Å; S69-S72 PolarHBondContact O-N 3.22Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.38Å
70F74.6Confident60.6Low43 Ų43101.6 Ų101.619%0.18954%0.535CS..Hα-helixtrans-60.8-47.8175.1176-101.4000112.2I56 F62 W67 S72 A73 T74I56-F70 HydrophobicContact CG2-CE2 4.29Å; I56-F70 HydrophobicContact CG2-CZ 3.96Å; F62-F70 HydrophobicContact CD1-CB 4.23Å; F62-F70 AromaticContact CD2-CD2 3.83Å; F62-F70 HydrophobicContact CD2-CD2 3.83Å; F62-F70 HydrophobicContact CE2-CD2 4.02Å; F62-F70 HydrophobicContact CG-CB 4.18Å; F62-F70 HydrophobicContact CG-CD2 4.31Å; W67-F70 PolarHBondContact O-N 3.04Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 2.87Å; F70-A73 PolarHBondContact O-N 2.86Å; F70-T74 HydrophobicContact CD1-CG2 4.49Å; F70-T74 HydrophobicContact CE1-CG2 4.04Å; F70-T74 HydrophobicContact CE2-CG2 4.06Å; F70-T74 HydrophobicContact CZ-CG2 3.81Å; F70-T74 PolarHBondContact O-N 2.69Å; F70-T74 PolarHBondContact O-OG1 3.24Å
71V72.4Confident59.6Low72 Ų72100.9 Ų100.944%0.43653%0.531SS..Hα-helixtrans-60.4-43179.2173.80000111.1W67 T74 K75W67-V71 HydrophobicContact CE3-CG2 4.37Å; W67-V71 WeakPolarHBondContact O-CG2 3.35Å; W67-V71 PolarHBondContact O-N 3.24Å; V71-T74 WeakPolarHBondContact CA-OG1 3.5Å; V71-T74 PolarHBondContact O-N 2.99Å; V71-T74 PolarHBondContact O-OG1 3.36Å; V71-K75 WeakPolarHBondContact O-CB 3.22Å; V71-K75 PolarHBondContact O-N 3.35Å
72S70.3Confident58.6Low72 Ų72100.4 Ų100.450%0.50354%0.537SS..Hα-helixtrans-63.6-43.5177.3-55.70000111.9S68 S69 F70 T74 K75 L76S68-S72 WeakPolarHBondContact O-CB 3.38Å; S68-S72 PolarHBondContact O-N 2.69Å; S68-S72 PolarHBondContact O-OG 2.82Å; S69-S72 PolarHBondContact O-N 3.22Å; F70-S72 VanDerWaalsContact C-N 3.32Å; F70-S72 PolarHBondContact O-N 2.87Å; S72-T74 VanDerWaalsContact C-N 3.33Å; S72-T74 PolarHBondContact O-N 2.93Å; S72-K75 PolarHBondContact O-N 2.87Å; S72-K75 VanDerWaalsContact O-N 3.17Å; S72-L76 PolarHBondContact O-N 2.9Å
73A66.9Low57.6Low32 Ų32104 Ų10426%0.26456%0.562SS.*Hα-helixtrans-62.1-37.4175.900000112.8F62 S69 F70F62-A73 HydrophobicContact CE1-CB 4.27Å; F62-A73 HydrophobicContact CZ-CB 3.86Å; S69-A73 WeakPolarHBondContact O-CB 3.44Å; S69-A73 PolarHBondContact O-N 3.38Å; F70-A73 PolarHBondContact O-N 2.86Å
74T61Low56.9Low47 Ų47103 Ų10329%0.28857%0.565SS.*Hα-helixtrans-72.6-30.9173.957.30000113.2I56 F70 V71 S72I56-T74 HydrophobicContact CG2-CG2 4.34Å; F70-T74 HydrophobicContact CD1-CG2 4.49Å; F70-T74 HydrophobicContact CE1-CG2 4.04Å; F70-T74 HydrophobicContact CE2-CG2 4.06Å; F70-T74 HydrophobicContact CZ-CG2 3.81Å; F70-T74 PolarHBondContact O-N 2.69Å; F70-T74 PolarHBondContact O-OG1 3.24Å; V71-T74 WeakPolarHBondContact CA-OG1 3.5Å; V71-T74 PolarHBondContact O-N 2.99Å; V71-T74 PolarHBondContact O-OG1 3.36Å; S72-T74 VanDerWaalsContact C-N 3.33Å; S72-T74 PolarHBondContact O-N 2.93Å
75K58.7Low55.7Low156 Ų156101.9 Ų101.968%0.67856%0.559SS**Hα-helixtrans-76.7-33.2-175.9-165.4170.8-176.5-179.60113.2V71 S72 R77 F78V71-K75 WeakPolarHBondContact O-CB 3.22Å; V71-K75 PolarHBondContact O-N 3.35Å; S72-K75 PolarHBondContact O-N 2.87Å; S72-K75 VanDerWaalsContact O-N 3.17Å; K75-R77 PolarHBondContact O-N 3.02Å; K75-F78 PolarHBondContact O-N 3.03Å
76L51.7Low54.7Low120 Ų120102 Ų10263%0.62857%0.57SS**Hα-helixtrans-59.8-45.3176.2-125.692.9000111.8S72 F78 V79 D80S72-L76 PolarHBondContact O-N 2.9Å; L76-F78 VanDerWaalsContact C-N 3.25Å; L76-F78 PolarHBondContact O-N 3.49Å; L76-V79 PolarHBondContact O-N 2.89Å; L76-V79 VanDerWaalsContact O-N 3.16Å; L76-D80 PolarHBondContact O-N 3.02Å
77R51.9Low53.3Low166 Ų166107.3 Ų107.363%0.62659%0.588SS**Hα-helixtrans-70-16.8-174.3-57.9-55.6-17494.30.4114.7K75 V79K75-R77 PolarHBondContact O-N 3.02Å; R77-V79 VanDerWaalsContact C-N 3.33Å
78F47.5Very low52.1Low181 Ų181107.6 Ų107.679%0.79460%0.595SS**Hα-helixtrans-78.9-20.3176.5-150.5-89.2000112.3K75 L76K75-F78 PolarHBondContact O-N 3.03Å; L76-F78 VanDerWaalsContact C-N 3.25Å; L76-F78 PolarHBondContact O-N 3.49Å
79V48.1Very low50.7Low97 Ų97111 Ų11159%0.58861%0.606SS**Hα-helixtrans-88.4-40.4178.2-178.30000110.9L76 R77 N81 A82L76-V79 PolarHBondContact O-N 2.89Å; L76-V79 VanDerWaalsContact O-N 3.16Å; R77-V79 VanDerWaalsContact C-N 3.33Å; V79-N81 VanDerWaalsContact C-N 3.26Å; V79-N81 PolarHBondContact O-N 3.33Å; V79-A82 WeakPolarHBondContact O-CB 3.13Å; V79-A82 PolarHBondContact O-N 2.79Å
80D41Very low49.3Very low101 Ų101115.4 Ų115.454%0.5463%0.627SS.*Hα-helixtrans-60.5-32.4179.7-64.1-34.4000113.2L76 A82L76-D80 PolarHBondContact O-N 3.02Å; D80-A82 PolarHBondContact O-N 3.12Å
81N39Very low47.5Very low108 Ų108120.2 Ų120.258%0.57866%0.66SS**THydrogen-bonded Turntrans-73.9-7.5177.3-89.3-22.6000114.3Q55 V79Q55-N81 PolarHBondContact OE1-ND2 3.49Å; V79-N81 VanDerWaalsContact C-N 3.26Å; V79-N81 PolarHBondContact O-N 3.33Å
82A45.3Very low45.6Very low83 Ų83124.4 Ų124.469%0.68668%0.68SS**THydrogen-bonded Turntrans-88.7-6.7-179.800000113.9V79 D80V79-A82 WeakPolarHBondContact O-CB 3.13Å; V79-A82 PolarHBondContact O-N 2.79Å; D80-A82 PolarHBondContact O-N 3.12Å
83V42.6Very low43.8Very low123 Ų123126.2 Ų126.275%0.74569%0.693SS**  trans-125.771.9-172.7-172.60000110.9
84S34.6Very low42.1Very low99 Ų99130.9 Ų130.969%0.69272%0.722SS**  trans-159.466.2166.443.60000116.3
85S29.9Very low40.9Very low116 Ų116139.1 Ų139.181%0.81175%0.747SS**  trans67.9173.9144.9-140.30000117.9
86P41.6Very low39.7Very low118 Ų118137.6 Ų137.677%0.76675%0.753SS**  -121-177.9-80.639.3-26.1000113.6
87E41.8Very low38.9Very low191 Ų191136.8 Ų136.889%0.89376%0.764SS**  trans-44.5137.3-168.6-55.9-178.212300118.2
88K35.1Very low38.1Very low211 Ų211137 Ų13792%0.91777%0.772SS**  -160.3152.7127.6-105.9156.3-172175.50111.4
89D41.9Very low37.7Very low151 Ų151132.7 Ų132.781%0.80777%0.77SS**  trans-80.8175.4-160.4-135.3-54.9000115.4
90D38.5Very low37.5Very low137 Ų137132.9 Ų132.973%0.73378%0.782SS**  trans64.195.8171.6-69.7-57.1000118.5
91T37Very low37.7Very low143 Ų143137.1 Ų137.188%0.87780%0.795SS**  175.1147.3111.527.90000115.6
92D33.4Very low37.9Very low160 Ų160138.6 Ų138.686%0.85680%0.803SS**  trans6.2117.1166.8-99.7-49.1000121.6C94D92-C94 PolarHBondContact O-N 3.47Å
93S31.9Very low37.8Very low111 Ų111136.3 Ų136.378%0.77679%0.787SS**  trans-80.996.4170.466.60000112.8R95S93-R95 PolarHBondContact O-N 2.89Å; S93-R95 VanDerWaalsContact O-N 3.08Å
94C30.7Very low38.1Very low129 Ų129141.1 Ų141.187%0.87279%0.792SS**  trans-74.998.5177.1-148.70000111.5D92D92-C94 PolarHBondContact O-N 3.47Å
95R35.7Very low38.4Very low220 Ų220143.4 Ų143.483%0.8380%0.797SS**PPolyproline II helixtrans-61.7140.3173.6-74.3-176.7175.4176.7-0.6111.1S93 A97S93-R95 PolarHBondContact O-N 2.89Å; S93-R95 VanDerWaalsContact O-N 3.08Å; R95-A97 PolarHBondContact O-N 3.13Å
96P34.2Very low39.3Very low124 Ų124143.5 Ų143.581%0.80578%0.784SS**PPolyproline II helixtrans-63.7130.9169.327.5-33.2000109.9E98P96-E98 PolarHBondContact O-N 2.64Å
97A34.7Very low39.6Very low103 Ų103144.2 Ų144.285%0.85178%0.779SS**PPolyproline II helixtrans-62.8120.5-174.800000112R95R95-A97 PolarHBondContact O-N 3.13Å
98E34.6Very low39.9Very low171 Ų171142.5 Ų142.580%0.79978%0.775SS**PPolyproline II helixtrans-64.2132.6175-156.6-177.7164.100109.9P96 A100P96-E98 PolarHBondContact O-N 2.64Å; E98-A100 PolarHBondContact O-N 2.86Å
99A39.1Very low40.4Very low91 Ų91138.3 Ų138.375%0.75277%0.767SS**PPolyproline II helixtrans-63.9127179.300000110.3K101A99-K101 PolarHBondContact O-N 3.26Å
100A44.9Very low40.3Very low101 Ų101136.2 Ų136.284%0.83576%0.763SS**  trans-55.3113.3-172.400000112.4E98 L102E98-A100 PolarHBondContact O-N 2.86Å; A100-L102 PolarHBondContact O-N 3.38Å
101K45.2Very low40.3Very low189 Ų189134 Ų13482%0.82276%0.755SS**  trans-81.1106.9-179.1-162.5174.1-170.3170.70109.1A99A99-K101 PolarHBondContact O-N 3.26Å
102L44.1Very low40.5Very low139 Ų139135.1 Ų135.173%0.72875%0.749SS**  trans-59.6148.9175.8-71167.9000111A100 E106A100-L102 PolarHBondContact O-N 3.38Å; L102-E106 WeakPolarHBondContact CD2-OE2 3.14Å
103G42.3Very low40.7Very low35 Ų35134.3 Ų134.336%0.36174%0.738SS.*  trans-67.9150.9-173.900000112.1N105 E106G103-N105 PolarHBondContact O-N 2.92Å; G103-E106 PolarHBondContact N-OE2 3.4Å; G103-E106 WeakPolarHBondContact O-CB 3.17Å; G103-E106 PolarHBondContact O-N 3.43Å
104R47.9Very low41.4Very low224 Ų224134.4 Ų134.485%0.84574%0.736SS**THydrogen-bonded Turntrans-53.4-28.4178.6-70.2-174.4-179.3119-3.9113.3E106 M107R104-E106 VanDerWaalsContact C-N 3.33Å; R104-M107 PolarHBondContact O-N 3.42Å
105N42.5Very low41.9Very low148 Ų148132.5 Ų132.579%0.79173%0.73SS**THydrogen-bonded Turntrans-77.9-15.9-179.7-57.54.1000113.2G103G103-N105 PolarHBondContact O-N 2.92Å
106E48.7Very low42.3Very low117 Ų117129.8 Ų129.855%0.54773%0.731SS.*THydrogen-bonded Turntrans-91.6-14.8176.5-61.3174.9128.700111.8L102 G103 R104 L108L102-E106 WeakPolarHBondContact CD2-OE2 3.14Å; G103-E106 PolarHBondContact N-OE2 3.4Å; G103-E106 WeakPolarHBondContact O-CB 3.17Å; G103-E106 PolarHBondContact O-N 3.43Å; R104-E106 VanDerWaalsContact C-N 3.33Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.42Å
107M47Very low42.6Very low134 Ų134129 Ų12966%0.6672%0.717SS**G310 helixtrans-75.4-15.8-178.6-158.5175.276.300113.6R104 V109R104-M107 PolarHBondContact O-N 3.42Å; M107-V109 VanDerWaalsContact C-N 3.27Å; M107-V109 PolarHBondContact O-N 2.88Å
108L47.8Very low43Very low155 Ų155131.2 Ų131.281%0.81271%0.714SS**G310 helixtrans-83.55.7-179.7-72.7165.5000113.9E106E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.42Å
109V46.3Very low44.1Very low122 Ų122132.1 Ų132.174%0.73972%0.716SS**G310 helixtrans-120.439.9178.5-159.40000111.3M107M107-V109 VanDerWaalsContact C-N 3.27Å; M107-V109 PolarHBondContact O-N 2.88Å
110C38.8Very low45Very low107 Ų107131.5 Ų131.572%0.72371%0.705SS**  trans-105.7109.2165.5-72.30000108.5
111T39.2Very low46.5Very low92 Ų92132.2 Ų132.256%0.56469%0.694SS**  trans-63.2143175.840.20000111F113 E117T111-F113 PolarHBondContact O-N 3.24Å; T111-E117 WeakPolarHBondContact CB-OE1 3.44Å; T111-E117 PolarHBondContact OG1-OE1 2.93Å; T111-E117 PolarHBondContact OG1-OE2 3.42Å
112H41.9Very low48.1Very low165 Ų165125.8 Ų125.876%0.76467%0.671SS**SBendtrans-66126.2176.7-128.944000108.8
113F36.4Very low50.1Low144 Ų144123.3 Ų123.363%0.63266%0.661SS**  trans74.692.2176.2-53.7-78.3000118.2T111 A115T111-F113 PolarHBondContact O-N 3.24Å; F113-A115 PolarHBondContact O-N 3.11Å
114P46.8Very low52.3Low113 Ų113121.7 Ų121.773%0.73464%0.644SS**THydrogen-bonded Turntrans-73.118.4174.533.1-38000114.9
115A42.5Very low53.8Low89 Ų89119.7 Ų119.774%0.73664%0.644SS**THydrogen-bonded Turntrans-100-6.6-176.600000114F113F113-A115 PolarHBondContact O-N 3.11Å
116L44.1Very low55.6Low163 Ų163116.3 Ų116.385%0.85363%0.629SS**SBendtrans-129.2-1.8-174.2-71.7173.2000114.6
117E39.7Very low57.3Low108 Ų108112.7 Ų112.751%0.50562%0.616SS.*  trans-91.7117.1176.4-66.7-170.1-176.800111T111 F119T111-E117 WeakPolarHBondContact CB-OE1 3.44Å; T111-E117 PolarHBondContact OG1-OE1 2.93Å; T111-E117 PolarHBondContact OG1-OE2 3.42Å; E117-F119 PolarHBondContact O-N 3.22Å
118D43.5Very low59Low148 Ų148111 Ų11179%0.79162%0.617SS**  trans-61120.1167.9-82.3-39.9000109C120D118-C120 PolarHBondContact O-N 3.38Å; D118-C120 PolarHBondContact O-SG 3.12Å; D118-C120 VanDerWaalsContact O-SG 3.38Å
119F56.7Low60.4Low191 Ų191109 Ų10984%0.83860%0.601SS**  trans-64.573.8179.5-67.6-82000112.7E117 L121E117-F119 PolarHBondContact O-N 3.22Å; F119-L121 PolarHBondContact O-N 2.81Å
120C58.8Low62.3Low78 Ų78107.6 Ų107.653%0.52759%0.593SS.*  trans-76.5115.4174.7-630000108.6D118 P133D118-C120 PolarHBondContact O-N 3.38Å; D118-C120 PolarHBondContact O-SG 3.12Å; D118-C120 VanDerWaalsContact O-SG 3.38Å; C120-P133 HydrophobicContact CB-CG 3.9Å; C120-P133 WeakPolarHBondContact O-CD 3.25Å; C120-P133 WeakPolarHBondContact O-CG 3.47Å
121L77Confident64.4Low115 Ų115103.6 Ų103.660%0.60257%0.566SS**  trans-113.2129.8169.8-65.7176.6000108.3F119 V130F119-L121 PolarHBondContact O-N 2.81Å; L121-V130 HydrophobicContact CB-CG1 3.61Å; L121-V130 HydrophobicContact CD1-CG1 3.91Å; L121-V130 HydrophobicContact CD2-CG1 4.48Å; L121-V130 HydrophobicContact CG-CG1 4.21Å
122V78.5Confident66.5Low55 Ų55103 Ų10333%0.33356%0.562SS.*EExtended strand (participates in β ladder)trans-106.2129.5-174.4-166.50000109.1V131 P133 I136V122-V131 PolarHBondContact N-O 3.48Å; V122-V131 PolarHBondContact O-N 2.94Å; V122-V131 VanDerWaalsContact O-O 3.12Å; V122-P133 HydrophobicContact CG2-CB 3.97Å; V122-P133 HydrophobicContact CG2-CG 4Å; V122-I136 HydrophobicContact CB-CD1 3.83Å; V122-I136 HydrophobicContact CG1-CD1 3.42Å; V122-I136 VanDerWaalsContact CG1-CD1 3.42Å
123V86.3Confident68.2Low86 Ų8697.9 Ų97.952%0.52154%0.543SS..EExtended strand (participates in β ladder)trans-89.3124.4178.5-173.50000109.3H125 K129 V130V123-H125 PolarHBondContact O-N 2.97Å; V123-K129 WeakPolarHBondContact CA-O 3.43Å; V123-V130 HydrophobicContact CG2-CG2 4.41Å
124C87Confident70Confident1 Ų199 Ų991%0.00755%0.55CS.*  trans-67.8117172.2178.90000110.2V126 C127 S128 K129 I136 H139 H144C124-V126 PolarHBondContact O-N 3.17Å; C124-C127 PolarHBondContact O-N 2.82Å; C124-S128 VanDerWaalsContact O-CA 3.22Å; C124-S128 WeakPolarHBondContact O-CA 3.41Å; C124-S128 PolarHBondContact O-N 3.22Å; C124-K129 PolarHBondContact N-O 3.3Å; C124-I136 HydrophobicContact CB-CD1 4.42Å; C124-H139 WeakPolarHBondContact CB-NE2 3.38Å; C124-H139 PolarHBondContact SG-NE2 3.31Å; C124-H144 PolarHBondContact SG-NE2 3.38Å; C124-H144 VanDerWaalsContact SG-NE2 3.45Å
125H81.1Confident71.6Confident182 Ų18294.2 Ų94.284%0.84352%0.522SS*.THydrogen-bonded Turntrans-61-25.8-179.6-170.6-58000113.3V123V123-H125 PolarHBondContact O-N 2.97Å
126V79.9Confident73.4Confident78 Ų7891.7 Ų91.747%0.47350%0.495SS..THydrogen-bonded Turntrans-82.2-34.3-175.4-178.30000112.8C124 Y140 H144C124-V126 PolarHBondContact O-N 3.17Å; V126-Y140 HydrophobicContact CB-CE2 4.42Å; V126-Y140 HydrophobicContact CG2-CE2 3.63Å; V126-Y140 WeakPolarHBondContact CG2-OH 3.35Å; V126-H144 WeakPolarHBondContact CG1-ND1 3.24Å
127C85Confident75.2Confident41 Ų4190.5 Ų90.528%0.27749%0.489SS..THydrogen-bonded Turntrans-126.69.918068.20000115.5C124 K129 H139 H144C124-C127 PolarHBondContact O-N 2.82Å; C127-K129 PolarHBondContact O-N 3.05Å; C127-H139 PolarHBondContact SG-NE2 3.01Å; C127-H144 PolarHBondContact SG-NE2 2.91Å
128S81Confident77.2Confident97 Ų9788.6 Ų88.668%0.67849%0.485SS*.  trans57.116.5-180-50.90000115.1C124C124-S128 VanDerWaalsContact O-CA 3.22Å; C124-S128 WeakPolarHBondContact O-CA 3.41Å; C124-S128 PolarHBondContact O-N 3.22Å
129K78.9Confident79.2Confident113 Ų11382.9 Ų82.949%0.49145%0.453SS..  trans-84.4137.7-179.1-69.9-176.9-179.3-1790111.2V123 C124 C127V123-K129 WeakPolarHBondContact CA-O 3.43Å; C124-K129 PolarHBondContact N-O 3.3Å; C127-K129 PolarHBondContact O-N 3.05Å
130V84.3Confident80.4Confident93 Ų9379.3 Ų79.356%0.56444%0.435SS*.EExtended strand (participates in β ladder)trans-79124.5175.1-1720000108.7L121 V123L121-V130 HydrophobicContact CB-CG1 3.61Å; L121-V130 HydrophobicContact CD1-CG1 3.91Å; L121-V130 HydrophobicContact CD2-CG1 4.48Å; L121-V130 HydrophobicContact CG-CG1 4.21Å; V123-V130 HydrophobicContact CG2-CG2 4.41Å
131V83.6Confident81.4Confident24 Ų2481.9 Ų81.915%0.14544%0.44CS..EExtended strand (participates in β ladder)trans-133.6154.4-178-1670000109.1V122 I136 H139V122-V131 PolarHBondContact N-O 3.48Å; V122-V131 PolarHBondContact O-N 2.94Å; V122-V131 VanDerWaalsContact O-O 3.12Å; V131-I136 HydrophobicContact CB-CB 4.39Å; V131-I136 HydrophobicContact CG1-CB 4.44Å; V131-H139 HydrophobicContact CG1-CB 4.05Å; V131-H139 HydrophobicContact CG2-CB 4.17Å
132T83.1Confident81.6Confident79 Ų7984 Ų8449%0.48544%0.444SS..  trans-64.4154.1170.755.20000110.9Q134 G135 I136T132-Q134 VanDerWaalsContact C-N 3.3Å; T132-Q134 PolarHBondContact O-N 3.37Å; T132-G135 PolarHBondContact O-N 2.66Å; T132-G135 PolarHBondContact OG1-N 3.32Å; T132-I136 PolarHBondContact O-N 3.38Å
133P77.4Confident81.3Confident57 Ų5789.7 Ų89.737%0.3746%0.459SS..THydrogen-bonded Turntrans-60.4-41.4-178-20.832.8000111.8C120 V122 G135 I136C120-P133 HydrophobicContact CB-CG 3.9Å; C120-P133 WeakPolarHBondContact O-CD 3.25Å; C120-P133 WeakPolarHBondContact O-CG 3.47Å; V122-P133 HydrophobicContact CG2-CB 3.97Å; V122-P133 HydrophobicContact CG2-CG 4Å; P133-G135 VanDerWaalsContact C-N 3.31Å; P133-G135 PolarHBondContact O-N 2.99Å; P133-I136 WeakPolarHBondContact O-CG2 3.48Å
134Q75Confident80.9Confident167 Ų16788.3 Ų88.378%0.7845%0.447SS*.THydrogen-bonded Turntrans-68.2-29.9174.4-127.466.10.700112.9T132T132-Q134 VanDerWaalsContact C-N 3.3Å; T132-Q134 PolarHBondContact O-N 3.37Å
135G80Confident79.6Confident13 Ų1391.8 Ų91.813%0.13447%0.472CS..THydrogen-bonded Turntrans-82-22.1-176.700000114.6T132 P133 L137 T138 H139T132-G135 PolarHBondContact O-N 2.66Å; T132-G135 PolarHBondContact OG1-N 3.32Å; P133-G135 VanDerWaalsContact C-N 3.31Å; P133-G135 PolarHBondContact O-N 2.99Å; G135-L137 VanDerWaalsContact C-N 3.34Å; G135-L137 PolarHBondContact O-N 3.18Å; G135-T138 PolarHBondContact O-N 2.93Å; G135-T138 PolarHBondContact O-OG1 3.07Å; G135-H139 WeakPolarHBondContact O-CB 3.26Å; G135-H139 PolarHBondContact O-N 2.92Å
136I81.6Confident78.1Confident36 Ų3688.2 Ų88.219%0.18547%0.467CS..Hα-helixtrans-65.3-33.2-168.4-161.6165.8000113.8V122 C124 V131 T132 P133 H139 Y140V122-I136 HydrophobicContact CB-CD1 3.83Å; V122-I136 HydrophobicContact CG1-CD1 3.42Å; V122-I136 VanDerWaalsContact CG1-CD1 3.42Å; C124-I136 HydrophobicContact CB-CD1 4.42Å; V131-I136 HydrophobicContact CB-CB 4.39Å; V131-I136 HydrophobicContact CG1-CB 4.44Å; T132-I136 PolarHBondContact O-N 3.38Å; P133-I136 WeakPolarHBondContact O-CG2 3.48Å; I136-H139 PolarHBondContact O-N 3.47Å; I136-Y140 WeakPolarHBondContact O-CB 3.27Å; I136-Y140 PolarHBondContact O-N 3.09Å
137L80.9Confident76.7Confident139 Ų13990 Ų9073%0.72848%0.48SS*.Hα-helixtrans-62.5-51.5174-73.6165.6000111.2G135 H139 Y140 E141G135-L137 VanDerWaalsContact C-N 3.34Å; G135-L137 PolarHBondContact O-N 3.18Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 3.49Å; L137-Y140 PolarHBondContact O-N 3.33Å; L137-E141 PolarHBondContact O-N 2.9Å
138T81.9Confident74.5Confident67 Ų6794.6 Ų94.641%0.41151%0.506SS..Hα-helixtrans-66.7-29.2178.571.60000112.5G135 K142G135-T138 PolarHBondContact O-N 2.93Å; G135-T138 PolarHBondContact O-OG1 3.07Å; T138-K142 VanDerWaalsContact O-CB 3.25Å; T138-K142 WeakPolarHBondContact O-CB 3.39Å; T138-K142 WeakPolarHBondContact O-CG 3.17Å; T138-K142 PolarHBondContact O-N 3.25Å
139H85.4Confident72.6Confident28 Ų2895.6 Ų95.613%0.1351%0.511CS..Hα-helixtrans-66.7-46172.1169.188.3000111.3C124 C127 V131 G135 I136 L137 E141 K142 R143 H144C124-H139 WeakPolarHBondContact CB-NE2 3.38Å; C124-H139 PolarHBondContact SG-NE2 3.31Å; C127-H139 PolarHBondContact SG-NE2 3.01Å; V131-H139 HydrophobicContact CG1-CB 4.05Å; V131-H139 HydrophobicContact CG2-CB 4.17Å; G135-H139 WeakPolarHBondContact O-CB 3.26Å; G135-H139 PolarHBondContact O-N 2.92Å; I136-H139 PolarHBondContact O-N 3.47Å; L137-H139 VanDerWaalsContact C-N 3.27Å; L137-H139 PolarHBondContact O-N 3.49Å; H139-E141 VanDerWaalsContact C-N 3.35Å; H139-K142 PolarHBondContact O-N 2.98Å; H139-R143 VanDerWaalsContact O-CB 3.28Å; H139-R143 WeakPolarHBondContact O-CB 3.5Å; H139-R143 PolarHBondContact O-N 2.82Å; H139-H144 AromaticContact NE2-NE2 3.74Å
140Y80.8Confident70.7Confident117 Ų11795.3 Ų95.346%0.45952%0.523SS..Hα-helixtrans-61.3-45.9176.4-142.6-93.5000110.6V126 I136 L137 K142 H144 S145V126-Y140 HydrophobicContact CB-CE2 4.42Å; V126-Y140 HydrophobicContact CG2-CE2 3.63Å; V126-Y140 WeakPolarHBondContact CG2-OH 3.35Å; I136-Y140 WeakPolarHBondContact O-CB 3.27Å; I136-Y140 PolarHBondContact O-N 3.09Å; L137-Y140 PolarHBondContact O-N 3.33Å; Y140-K142 PolarHBondContact O-N 2.94Å; Y140-H144 HydrophobicContact CD1-CB 4.09Å; Y140-H144 AromaticContact CD2-CD2 3.89Å; Y140-H144 HydrophobicContact CE1-CB 4.23Å; Y140-H144 HydrophobicContact CG-CB 4.31Å; Y140-H144 CarbonylContact O-C 3.51Å; Y140-H144 WeakPolarHBondContact O-CA 3.37Å; Y140-H144 WeakPolarHBondContact O-CB 3.5Å; Y140-H144 PolarHBondContact O-N 3.45Å; Y140-S145 PolarHBondContact O-N 2.77Å
141E81.6Confident68.5Low132 Ų132103 Ų10362%0.61754%0.542SS*.Hα-helixtrans-63.1-39.9178.5-169.8177.6-160.600112.9L137 H139 S145L137-E141 PolarHBondContact O-N 2.9Å; H139-E141 VanDerWaalsContact C-N 3.35Å; E141-S145 WeakPolarHBondContact CA-OG 3.37Å; E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-OG 2.79Å
142K79.9Confident66Low160 Ų160107 Ų10770%0.69657%0.571SS**Hα-helixtrans-87.2-14.8-177.1-68173.2-178.9177.90114.9T138 H139 Y140T138-K142 VanDerWaalsContact O-CB 3.25Å; T138-K142 WeakPolarHBondContact O-CB 3.39Å; T138-K142 WeakPolarHBondContact O-CG 3.17Å; T138-K142 PolarHBondContact O-N 3.25Å; H139-K142 PolarHBondContact O-N 2.98Å; Y140-K142 PolarHBondContact O-N 2.94Å
143R72.4Confident64.2Low174 Ų174108.6 Ų108.666%0.65758%0.583SS**Hα-helixtrans-124.8-16.2-174.7-60.3-62.8-172.9126.9-1.4114.6H139H139-R143 VanDerWaalsContact O-CB 3.28Å; H139-R143 WeakPolarHBondContact O-CB 3.5Å; H139-R143 PolarHBondContact O-N 2.82Å
144H77.5Confident62.2Low57 Ų57112.8 Ų112.826%0.26461%0.607SS.*THydrogen-bonded Turntrans-128.2-12.1-176.3-59.1-43.7000114.1C124 V126 C127 H139 Y140 S146C124-H144 PolarHBondContact SG-NE2 3.38Å; C124-H144 VanDerWaalsContact SG-NE2 3.45Å; V126-H144 WeakPolarHBondContact CG1-ND1 3.24Å; C127-H144 PolarHBondContact SG-NE2 2.91Å; H139-H144 AromaticContact NE2-NE2 3.74Å; Y140-H144 HydrophobicContact CD1-CB 4.09Å; Y140-H144 AromaticContact CD2-CD2 3.89Å; Y140-H144 HydrophobicContact CE1-CB 4.23Å; Y140-H144 HydrophobicContact CG-CB 4.31Å; Y140-H144 CarbonylContact O-C 3.51Å; Y140-H144 WeakPolarHBondContact O-CA 3.37Å; Y140-H144 WeakPolarHBondContact O-CB 3.5Å; Y140-H144 PolarHBondContact O-N 3.45Å; H144-S146 PolarHBondContact O-N 3.05Å
145S60.4Low60.2Low74 Ų74112 Ų11252%0.51761%0.608SS.*PPolyproline II helixtrans-73.4122.2163.3-58.50000110.8Y140 E141Y140-S145 PolarHBondContact O-N 2.77Å; E141-S145 WeakPolarHBondContact CA-OG 3.37Å; E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-OG 2.79Å
146S48.6Very low58.5Low106 Ų106116.4 Ų116.474%0.74163%0.633SS**PPolyproline II helixtrans-78.8141.2165.8-170.50000109.9H144 V148H144-S146 PolarHBondContact O-N 3.05Å; S146-V148 PolarHBondContact O-N 2.92Å
147P50.9Low56.1Low117 Ų117123.4 Ų123.476%0.7667%0.668SS**PPolyproline II helixtrans-75.3125.9-177.229.7-34.2000112.1
148V40.3Very low53.8Low136 Ų136126.1 Ų126.182%0.82467%0.674SS**PPolyproline II helixtrans-83.6130.4159.7-1800000107.5S146S146-V148 PolarHBondContact O-N 2.92Å
149P39.2Very low52Low119 Ų119127.9 Ų127.977%0.77369%0.686SS**PPolyproline II helixtrans-67.3156.8-176.326.6-34.2000112.9
150S40Very low49.2Very low107 Ų107136.4 Ų136.475%0.74872%0.723SS**PPolyproline II helixtrans-70.7156.5-163.8540000115.5
151R38.2Very low46.8Very low254 Ų254134.7 Ų134.796%0.95873%0.732SS**  trans-119.6137134.7-77.9-167.9171.3-157.1-2.6109.1
152S31.2Very low45Very low108 Ų108134 Ų13476%0.75574%0.74SS**  trans-78.8161.9-16830.50000113.7
153P45.9Very low42.6Very low113 Ų113130.5 Ų130.573%0.73474%0.74SS**  trans-91.2159.9-174.437-35.5000113.2
154V35.1Very low40.6Very low145 Ų145128.9 Ų128.988%0.87975%0.749SS**  trans-125.6133.7160.4-178.60000107.7
155L31.7Very low38.3Very low151 Ų151130.4 Ų130.479%0.79177%0.772SS**  trans-90.6-163.4-178.3-57.7171.1000110.6
156P46Very low36.8Very low104 Ų104132.8 Ų132.868%0.67579%0.789SS**  -118.3179.7-11531.9-10.7000112.7
157M30Very low35.8Very low184 Ų184131.9 Ų131.991%0.90679%0.788SS**  trans-151.6154.6149.6-94.5-51.3105.800111.4
158K31.9Very low34.9Very low196 Ų196133.2 Ų133.285%0.85279%0.793SS**  trans-107.7-168-170.1-141.4-163.9164.4175.90110.7
159P44.4Very low34.4Very low103 Ų103130.9 Ų130.967%0.66979%0.788SS**  -113.4162.6-124.239.1-22.6000114.8
160K28.2Very low34.5Very low208 Ų208131.3 Ų131.390%0.90479%0.791SS**  trans-152.7126.3161.7-146.272177.7-174.90112.8
161A30Very low34Very low80 Ų80131.5 Ų131.566%0.66179%0.792SS**  trans-111.6171.6154.800000106.3
162P42.8Very low34.3Very low119 Ų119125.3 Ų125.377%0.77379%0.785SS**  cis-147-169.12040.9-18.7000116.9
163A29.6Very low34.3Very low85 Ų85123.6 Ų123.670%0.70279%0.785SS**  trans92.8131.3132.500000123.2
164V29.6Very low33.6Very low140 Ų140125.3 Ų125.385%0.84879%0.787SS**  trans90.5120.4144.7172.50000120.8
165A29.9Very low33.8Very low90 Ų90122.7 Ų122.774%0.74478%0.776SS**  trans23.6157.514000000121.6
166S28.3Very low34.1Very low124 Ų124123.4 Ų123.487%0.86778%0.779SS**  cis-156.4178.227.9-156.20000113.9
167A28.3Very low33.5Very low87 Ų87122.4 Ų122.472%0.71978%0.78SS**  trans-79.9163.9-178.700000114.1
168V31.9Very low33.4Very low145 Ų145124 Ų12488%0.87978%0.782SS**  trans172.4141.1132.4149.70000110.3
169A29.8Very low33.4Very low86 Ų86125.5 Ų125.571%0.71178%0.783SS**  trans-108.3164.9170.700000108.6
170P41.9Very low33Very low129 Ų129126.3 Ų126.384%0.83879%0.785SS**  -151.4-170.756.938.5-14.5000117.3
171S29.4Very low33.4Very low111 Ų111122.2 Ų122.278%0.77678%0.78SS**  trans-69.8-172.3170.9-134.10000112.7
172P44.2Very low33.4Very low123 Ų123127 Ų12780%0.79979%0.786SS**  cis-145.4-172.213.642.4-20.4000118.4
173G30.6Very low32.9Very low73 Ų73129.4 Ų129.475%0.75379%0.792SS**  trans109.1145.1161.100000115.7
174D32.4Very low33Very low148 Ų148134 Ų13479%0.79179%0.793SS**  cis-163.8158.8-5.1-148.6-40.1000111.4
175S38.8Very low33.8Very low91 Ų91133.1 Ų133.164%0.63679%0.79SS**  trans57142.7149.7-720000122.1
176L39Very low33.8Very low165 Ų165136 Ų13686%0.86479%0.788SS**  cis-149.8-166.8-1.3-121.7169000112
177A31.6Very low34Very low83 Ų83134.1 Ų134.169%0.68677%0.774SS**  trans-145160.9-159.200000116.9
178F27.8Very low34.1Very low218 Ų218140.2 Ų140.296%0.95678%0.779SS**  trans-136.2145.7162.5-108-84.8000114
179R33.3Very low34.2Very low228 Ų228142.6 Ų142.686%0.8678%0.778SS**  trans-97.6143.8-172.8-72.1-174.9-179.5-167.92.8111.6
180V34.6Very low34.2Very low120 Ų120143 Ų14373%0.72778%0.775SS**  60.3126.569.7-179.20000111.4K182V180-K182 HydrophobicContact CG1-CB 4.35Å
181P37.4Very low33.7Very low122 Ų122146.5 Ų146.579%0.79278%0.777SS**  -133.4164.65323.21.7000115.8
182K29.2Very low33.9Very low180 Ų180145.4 Ų145.478%0.78378%0.775SS**  cis93.4105.123.3-171.8178-178.6175.80115.4V180V180-K182 HydrophobicContact CG1-CB 4.35Å
183D32.6Very low33.8Very low169 Ų169144.8 Ų144.890%0.90477%0.771SS**  trans-150.9134.7152-98.3-48.5000112.1
184Y31.9Very low33.9Very low182 Ų182149.3 Ų149.371%0.71478%0.777SS**  trans-169.7131.2179.3-173.7-95.1000112.3H186Y184-H186 VanDerWaalsContact CD1-N 3.3Å
185P46.2Very low33.9Very low121 Ų121146.5 Ų146.579%0.78677%0.774SS**  trans-12494.4162.931-14.8000115
186H31.6Very low33.5Very low151 Ų151148.8 Ų148.870%0.69978%0.784SS**  51110.9128.7-71.166.2000120.7Y184Y184-H186 VanDerWaalsContact CD1-N 3.3Å
187S30.5Very low33.2Very low84 Ų84151.2 Ų151.259%0.58778%0.783SS**  99.4144.892.6-160.90000111.7
188R32Very low33.4Very low215 Ų215152.3 Ų152.381%0.81178%0.783SS**  cis-159154.346.7-60.1-104.4-179.4155-0.3112.6
189F32.8Very low34.3Very low196 Ų196148 Ų14886%0.8678%0.777SS**  trans59.9139.4157.4-89.1-121.4000119
190S30.7Very low34.5Very low94 Ų94147.7 Ų147.766%0.65778%0.782SS**  cis-161.5127.5-4.245.70000113.8
191K30.8Very low34.4Very low203 Ų203145.4 Ų145.488%0.88378%0.783SS**  59.794.4121.7-145.4160.2-173.7174.90118.3
192A34.7Very low34.4Very low87 Ų87144.4 Ų144.472%0.71979%0.785SS**  93.5165.392.600000113.1
193P41.8Very low34.8Very low111 Ų111146.1 Ų146.172%0.72179%0.787SS**  cis-121.6138.2040.1-25.1000114.9
194L32.3Very low35.4Very low167 Ų167144.7 Ų144.787%0.87478%0.779SS**  72.1116.8103.9-59177.5000117.6
195A32Very low35.7Very low89 Ų89145.4 Ų145.474%0.73679%0.785SS**  trans-87.4150.7160.900000110.8
196V30.7Very low35.4Very low140 Ų140146.3 Ų146.385%0.84879%0.789SS**  trans-119.5109.8165.3177.90000108.2
197Y31.7Very low35.6Very low216 Ų216145.4 Ų145.485%0.84780%0.798SS**PPolyproline II helixtrans-96.7129.6167.7-104.3-87.2000109.2
198P36.9Very low35.7Very low105 Ų105147.6 Ų147.668%0.68281%0.808SS**PPolyproline II helixtrans-78153.9164.232.3-32.1000110.9
199P46.1Very low36.1Very low128 Ų128142.5 Ų142.583%0.83181%0.805SS**PPolyproline II helixtrans-79.2164.9-172.232.4-36.3000113.9G201P199-G201 PolarHBondContact O-N 3.33Å
200K38.9Very low36.4Very low221 Ų221141 Ų14196%0.96181%0.805SS**PPolyproline II helixtrans-65.9118.3178.5-67.1177.8179175.90111.6
201G31.3Very low36.8Very low73 Ų73141.9 Ų141.975%0.75381%0.808SS**  trans-132.5125.1163.900000109.6P199P199-G201 PolarHBondContact O-N 3.33Å
202A38.1Very low37.2Very low100 Ų100139 Ų13983%0.82681%0.808SS**  trans-80.2135.2-173.300000112.4
203R36.4Very low37.3Very low217 Ų217140.2 Ų140.282%0.81981%0.806SS**  trans-174.1119.4131.9-10217295.4153.44.2113.5
204N45.8Very low37Very low138 Ų138139.9 Ų139.974%0.73881%0.806SS**  trans-4.7110.6155.759.3-27.4000119
205K38.1Very low37.4Very low197 Ų197139.4 Ų139.486%0.85780%0.804SS**  trans-144.2128.4157.4-58.9-175.6-172.8-179.10110
206T39.3Very low37.7Very low140 Ų140142.9 Ų142.986%0.85981%0.805SS**  trans-66.3134.71798.40000111.4V208T206-V208 PolarHBondContact O-N 3.09Å
207C36.6Very low37.8Very low132 Ų132145 Ų14589%0.89280%0.803SS**  trans-75.4110.9178.4-480000110.1
208V33.1Very low37.8Very low130 Ų130141.9 Ų141.979%0.78880%0.798SS**PPolyproline II helixtrans-99.4121.6167.5-176.60000108.3T206 L210T206-V208 PolarHBondContact O-N 3.09Å; V208-L210 PolarHBondContact O-N 3.45Å
209S39.3Very low37.7Very low108 Ų108142.5 Ų142.576%0.75580%0.801SS**PPolyproline II helixtrans-64.6124.417748.80000111.3
210L39.2Very low37Very low166 Ų166141 Ų14187%0.86979%0.793SS**PPolyproline II helixtrans-65.2127170.7-66.1171.6000109.9V208V208-L210 PolarHBondContact O-N 3.45Å
211P40Very low36.8Very low111 Ų111138.9 Ų138.972%0.72179%0.791SS**PPolyproline II helixtrans-71.2132.8172.828.7-32.6000110.5V213P211-V213 PolarHBondContact O-N 2.94Å
212V39.2Very low36.9Very low143 Ų143141.7 Ų141.787%0.86779%0.789SS**PPolyproline II helixtrans-66.2118.5173.4172.20000109.3S214V212-S214 PolarHBondContact O-N 3.39Å
213V35.9Very low36.7Very low112 Ų112148 Ų14868%0.67979%0.792SS**  trans-80.4109.6174.9-177.40000109.1P211 L215P211-V213 PolarHBondContact O-N 2.94Å; V213-L215 HydrophobicContact CG1-CD2 3.87Å; V213-L215 HydrophobicContact CG1-CG 4.13Å; V213-L215 PolarHBondContact O-N 3.46Å
214S36.4Very low36.5Very low105 Ų105141.6 Ų141.673%0.73479%0.785SS**  trans-76.8102.8166.7-170.20000109.3V212 E216V212-S214 PolarHBondContact O-N 3.39Å; S214-E216 VanDerWaalsContact C-N 3.29Å; S214-E216 PolarHBondContact O-N 3.16Å
215L39.6Very low35.9Very low156 Ų156142 Ų14282%0.81779%0.787SS**  trans-79.377.5172.4-69176.4000110.1V213 K217V213-L215 HydrophobicContact CG1-CD2 3.87Å; V213-L215 HydrophobicContact CG1-CG 4.13Å; V213-L215 PolarHBondContact O-N 3.46Å; L215-K217 PolarHBondContact O-N 3.02Å
216E38.7Very low35.8Very low163 Ų163137.5 Ų137.576%0.76278%0.78SS**  trans-72.799.1169.7-168.4170.2170.300110S214 M218S214-E216 VanDerWaalsContact C-N 3.29Å; S214-E216 PolarHBondContact O-N 3.16Å; E216-M218 PolarHBondContact O-N 3.37Å
217K32.5Very low35.8Very low184 Ų184135.9 Ų135.980%0.877%0.77SS**  trans-7493.5179.1-174.3167.3-175.7162.70110.2L215L215-K217 PolarHBondContact O-N 3.02Å
218M33.3Very low35.7Very low151 Ų151133.7 Ų133.774%0.74476%0.756SS**  trans-48.6129169.2-72.4-65.7-73.100110.3E216 C220E216-M218 PolarHBondContact O-N 3.37Å; M218-C220 PolarHBondContact O-N 3.38Å
219P34.1Very low35.8Very low117 Ų117136 Ų13676%0.7676%0.758SS**  trans-61.8111.2176.7-22.933.6000110.3L221P219-L221 PolarHBondContact O-N 3.31Å
220C31.7Very low35.3Very low97 Ų97135.8 Ų135.866%0.65575%0.752SS**  trans-56.7124.7171.631.50000109.4M218 N222M218-C220 PolarHBondContact O-N 3.38Å; C220-N222 VanDerWaalsContact C-N 3.34Å; C220-N222 PolarHBondContact O-N 2.68Å
221L33.9Very low34.9Very low176 Ų176139.5 Ų139.592%0.92176%0.755SS**  trans-66.194.8175.7-74.5171.2000108.6P219 R223P219-L221 PolarHBondContact O-N 3.31Å; L221-R223 PolarHBondContact O-N 3.37Å
222N33.4Very low34.5Very low133 Ų133140.5 Ų140.571%0.71175%0.753SS**  trans-57111.2175.4-86.4-3.4000110.1C220 A224C220-N222 VanDerWaalsContact C-N 3.34Å; C220-N222 PolarHBondContact O-N 2.68Å; N222-A224 PolarHBondContact O-N 3.23Å; N222-A224 VanDerWaalsContact O-N 3.13Å
223R33.5Very low34.1Very low233 Ų233140.7 Ų140.788%0.87975%0.749SS**  trans-14.4103.9159.7-174.1174.7176.1170.9-1.4112.9L221 D225L221-R223 PolarHBondContact O-N 3.37Å; R223-D225 PolarHBondContact O-N 2.91Å
224A32.2Very low33.8Very low81 Ų81140.7 Ų140.767%0.66975%0.754SS**  trans-79.7106.8-179.800000111.3N222 S226N222-A224 PolarHBondContact O-N 3.23Å; N222-A224 VanDerWaalsContact O-N 3.13Å; A224-S226 PolarHBondContact O-N 3.07Å; A224-S226 PolarHBondContact O-OG 3.27Å
225D33.6Very low33.5Very low148 Ų148140.4 Ų140.479%0.79175%0.752SS**  trans-59.2100.5165.4-84.8-40.2000110.6R223 T227R223-D225 PolarHBondContact O-N 2.91Å; D225-T227 PolarHBondContact O-N 2.7Å; D225-T227 VanDerWaalsContact O-N 3.09Å
226S36.3Very low33.1Very low102 Ų102138.6 Ų138.671%0.71375%0.753SS**  trans-88.171.7-177.6-66.10000111.9A224A224-S226 PolarHBondContact O-N 3.07Å; A224-S226 PolarHBondContact O-OG 3.27Å
227T40.3Very low32.7Very low106 Ų106136.8 Ų136.865%0.6576%0.758SS**  trans-11159155.458.30000111.6D225D225-T227 PolarHBondContact O-N 2.7Å; D225-T227 VanDerWaalsContact O-N 3.09Å
228S34.3Very low32.6Very low85 Ų85133.4 Ų133.459%0.59476%0.757SS**  trans-132.9115.4167.558.20000111.6
229H33.8Very low32.5Very low178 Ų178132.1 Ų132.182%0.82476%0.763SS**  trans-60.6132.9149.439.5-94.1000108.4
230V30.2Very low32.3Very low104 Ų104132.2 Ų132.263%0.6377%0.767SS**  trans-126.2109.7167.6176.90000107.7L232V230-L232 PolarHBondContact O-N 3.08Å
231R30.8Very low32.3Very low245 Ų245133.3 Ų133.393%0.92578%0.775SS**  trans-66.7118157.8-102.1-177.2168.3-165.3-2.7106.9
232L31.8Very low32.2Very low131 Ų131130.1 Ų130.169%0.68677%0.768SS**  trans-76.2127.5161.5-68.8171.1000107.9V230 W563V230-L232 PolarHBondContact O-N 3.08Å; L232-W563 HydrophobicContact CD1-CH2 4.27Å
233N29.6Very low32Very low148 Ų148128.5 Ų128.579%0.79177%0.767SS**  trans-130.499.8159.9-165.867.3000108.2
234S30.6Very low31.9Very low111 Ų111123.3 Ų123.378%0.77676%0.762SS**  trans-81.7116.8170.1-60.90000108.7
235S29.6Very low31.9Very low100 Ų100127.5 Ų127.570%0.69977%0.772SS**  trans-157.8109.8155.6-800000110.3
236S31Very low31.6Very low118 Ų118125.7 Ų125.783%0.82577%0.77SS**  trans7.7128.3141.4-450000118.2
237S29.9Very low32.2Very low124 Ų124126 Ų12687%0.86777%0.77SS**  trans-64.3125.6163.649.30000112.8
238S29.7Very low31.6Very low113 Ų113127.7 Ų127.779%0.7978%0.775SS**  trans-150.3117.7145.655.80000109.2
239S32.7Very low31.3Very low124 Ų124132.1 Ų132.187%0.86778%0.783SS**  trans-71.9141.5-179.847.50000112.7
240S29.5Very low31Very low119 Ų119128.6 Ų128.683%0.83278%0.778SS**  trans-142.2124.3157.643.10000110.3
241S32.1Very low30.9Very low120 Ų120128.8 Ų128.884%0.83978%0.784SS**  trans-87.3148.2168.745.70000110.3
242S30.6Very low30.7Very low110 Ų110121.8 Ų121.877%0.76977%0.773SS**  trans-51.2157-178.2-39.60000113.5
243S30.7Very low30.5Very low99 Ų99125.1 Ų125.169%0.69278%0.782SS**  -166.5146.274.3-640000115.8
244T31.2Very low30.3Very low124 Ų124122.8 Ų122.876%0.76178%0.784SS**  trans66.8123.1139.948.40000123.3
245L31.4Very low30.1Very low169 Ų169122.4 Ų122.489%0.88578%0.781SS**  trans85.1106.4144.5-61.7167.1000120.3
246S28.4Very low30.2Very low109 Ų109126.2 Ų126.276%0.76279%0.788SS**  trans-84.4-179157-7.60000110.9
247P47.4Very low30.1Very low108 Ų108131.9 Ų131.970%0.70179%0.791SS**  cis-135.9167.5-1528.9-7.6000114.6
248L28.5Very low30.1Very low143 Ų143131.3 Ų131.375%0.74979%0.787SS**  154.5132.6118.9-81.2167.3000115.1
249K28.3Very low30.2Very low177 Ų177129 Ų12977%0.7778%0.781SS**  trans56.194.4140.7-70.7179.9179.4-179.80121.4
250S26.7Very low30Very low104 Ų104131.1 Ų131.173%0.72778%0.777SS**  58.4132.1112.8640000122.6
251S27.8Very low30.2Very low108 Ų108133.5 Ų133.576%0.75577%0.772SS**  trans111.3107.7142.277.20000118.5
252S27.2Very low30.3Very low98 Ų98134.9 Ų134.969%0.68577%0.77SS**  76.5117.5117.5-58.80000123
253F26.7Very low30.4Very low202 Ų202134.9 Ų134.989%0.88677%0.765SS**  trans73.9140.7144.4-67.5-61.2000122.5
254A26.6Very low30.5Very low99 Ų99137.9 Ų137.982%0.81877%0.774SS**  trans65.8159.2155.900000117.6
255S27Very low30.5Very low103 Ų103135.1 Ų135.172%0.7277%0.77SS**  cis-170.1163.6-28.6-176.50000107.5
256Q30.5Very low30.5Very low179 Ų179139.5 Ų139.584%0.83678%0.775SS**  trans67.8138.2172.3-40.7-160.2-7300115
257R29.2Very low30.6Very low237 Ų237138.2 Ų138.289%0.89478%0.779SS**  cis79.1128.522.4-159.8-177.5-174.8-141.9-0.9116
258S30.6Very low29.9Very low113 Ų113136.8 Ų136.879%0.7978%0.783SS**  trans86.5153.4163.873.30000118.4
259G30.2Very low29.9Very low64 Ų64133.6 Ų133.666%0.6679%0.785SS**  trans11245.1-179.400000115.8
260E28.9Very low30.8Very low168 Ų168130.9 Ų130.979%0.78579%0.785SS**  32.2122.497.560.5177.385.200118.9
261K34.2Very low31Very low169 Ų169130.5 Ų130.574%0.73578%0.783SS**  129.1113.4118.5-158165.2-175176.10119.1
262L34.1Very low31.4Very low149 Ų149131.6 Ų131.678%0.7879%0.785SS**  trans66.8155.6151.3-65.7174.5000119.6
263T33.5Very low32.4Very low110 Ų110132.1 Ų132.168%0.67579%0.786SS**  cis-141.8165.88540000112.7
264N31.2Very low32.6Very low163 Ų163133.9 Ų133.987%0.87279%0.787SS**  trans40.1141.8149.6-62.6-0.9000122.6
265G31.3Very low32.6Very low66 Ų66134.7 Ų134.768%0.6879%0.786SS**  cis170.3171.9-0.300000112.8
266R33Very low33.1Very low261 Ų261137.3 Ų137.399%0.98579%0.791SS**  trans67.3125.2-168.8-60178.6169.4-129.8-1.9113.7
267G30.6Very low33.2Very low82 Ų82134.6 Ų134.685%0.84579%0.787SS**  cis112.2124.111.900000110.1
268G30.9Very low34.6Very low77 Ų77128.5 Ų128.579%0.79478%0.778SS**  cis-154.6176.1-6.200000110.8
269G30.2Very low35.3Very low77 Ų77129.1 Ų129.179%0.79478%0.779SS**  trans-79.6-158.1173.800000113.1
270P47Very low35.2Very low119 Ų119131.1 Ų131.177%0.77378%0.783SS**  cis-148.1-179.331.344.5-25.2000118.2
271S31.4Very low35.2Very low97 Ų97128.7 Ų128.768%0.67878%0.784SS**  trans66.1119.9152.2-53.60000119.8
272T34.7Very low35Very low131 Ų131124.9 Ų124.980%0.80478%0.779SS**  cis75.2163.239.483.50000114.6
273P49.1Very low34.9Very low108 Ų108125.2 Ų125.270%0.70178%0.781SS**  -135.9178.8-81.240.8-23.5000114.1
274R29.7Very low34.7Very low239 Ų239126.7 Ų126.790%0.90279%0.785SS**  trans-177.2121.5149-100.3150.2-175.2-126.5-0109
275S28Very low34.6Very low116 Ų116130 Ų13081%0.81179%0.785SS**  75.9107.775.7-660000114
276I36.2Very low34.9Very low158 Ų158137.5 Ų137.581%0.8179%0.793SS**  trans-78.6147170.1-61.7155.8000108.5
277T33.4Very low35.3Very low123 Ų123130.8 Ų130.876%0.75578%0.783SS**  170.9-178.1106.5-26.90000109.3
278P58Low35.6Very low109 Ų109131.6 Ų131.671%0.70878%0.776SS**  -112.7-160.8-122.143.1-22.4000112.6
279P45.8Very low36.2Very low125 Ų125134.5 Ų134.581%0.81278%0.78SS**  -151.5-169.77639.7-17.2000116.3
280S27.4Very low36.1Very low107 Ų107135.3 Ų135.375%0.74878%0.78SS**  trans-85.5-171.7-167.3-41.40000116.5
281S30.3Very low35.4Very low116 Ų116141.6 Ų141.681%0.81179%0.788SS**  trans88.3149163.882.10000116.7
282S29.5Very low35.6Very low89 Ų89142.1 Ų142.162%0.62279%0.792SS**  cis-170.3167.5-2155.50000110.5
283L32.8Very low36Very low157 Ų157141.6 Ų141.682%0.82279%0.791SS**  trans65.1165.2163.7-56.2176.2000116.6
284D28.9Very low35.3Very low141 Ų141144 Ų14475%0.75480%0.797SS**  cis-161.1179.4-45.4-156.1-65.1000106.5
285R28.8Very low35.3Very low231 Ų231139 Ų13987%0.87279%0.788SS**  trans72.2114.3167.1-70.5-177.2163-156.7-4.3121.6
286R36.9Very low35.5Very low224 Ų224145.4 Ų145.485%0.84579%0.794SS**  trans-80.7171.6132.6-108.9-174.7164.5-155.9-3.1109.3
287P41.7Very low35.2Very low121 Ų121149.3 Ų149.379%0.78680%0.799SS**  cis-135.5-175.418.339.2-18.6000116.7
288S37Very low35.3Very low99 Ų99147.5 Ų147.569%0.69280%0.796SS**  trans-72.5166.4-179-41.80000115.3
289P43.7Very low34.6Very low137 Ų137148.5 Ų148.589%0.8980%0.803SS**  -147.6-170.69937.8-19000115.8
290A28.9Very low34.1Very low94 Ų94148.1 Ų148.178%0.77780%0.803SS**  trans-115.1170.5-158.600000116.8
291R32.1Very low34.3Very low251 Ų251149.9 Ų149.995%0.94781%0.81SS**  trans-166.4164.4137.8-107.7168-176.4-132-2.2114.6
292S35Very low34.3Very low108 Ų108148.6 Ų148.676%0.75581%0.806SS**  trans-99.4-175.2-157.2-43.70000115.3
293P42.5Very low34.3Very low121 Ų121150.2 Ų150.279%0.78682%0.817SS**  -151.3152.186.638.2-18.5000119.9
294L33.9Very low34.7Very low157 Ų157148.8 Ų148.882%0.82282%0.817SS**  trans31.8116.7147.2-88.876.1000125.9
295N30.8Very low34.9Very low135 Ų135147.2 Ų147.272%0.72282%0.818SS**  74.7110.2104.1-163.18.6000123
296R31.1Very low35.8Very low250 Ų250141.9 Ų141.994%0.94381%0.813SS**  -159.3160.2125-113.9179.9-168.8-120.73.3115.1
297R30.9Very low35.6Very low240 Ų240139.5 Ų139.591%0.90681%0.814SS**  trans-81.4158.8-160.4-156.1179.9-162.8169.22.9115.7
298A35.8Very low35.1Very low85 Ų85140.4 Ų140.470%0.70281%0.812SS**  trans-81171.2167.300000113.5
299P42.4Very low34.9Very low130 Ų130145.9 Ų145.984%0.84482%0.823SS**  -144.8174.312439.6-25.5000115.7
300S35.8Very low34.4Very low117 Ų117147.6 Ų147.682%0.81882%0.817SS**  trans-117.4140.4178.5-42.40000112.2
301T31.9Very low34.9Very low145 Ų145149 Ų14989%0.8982%0.817SS**  trans-162.8166162.952.10000108.3
302A29.9Very low34.7Very low88 Ų88140.6 Ų140.673%0.72780%0.798SS**  cis170.4118.7-39.700000107.3
303S29.4Very low34.5Very low124 Ų124143.6 Ų143.687%0.86780%0.804SS**  trans61.2166.5159.9-87.90000119.2
304P41.7Very low33.9Very low126 Ų126143 Ų14382%0.81880%0.803SS**  cis-139.5-178.928.842.9-23.6000118.9
305S33.5Very low34.4Very low109 Ų109140.8 Ų140.876%0.76280%0.798SS**  trans-143.9155.8164.357.10000109.9
306P46.1Very low34.4Very low119 Ų119139 Ų13977%0.77380%0.796SS**  -147.7-179114.239.1-20.4000112.1
307M32.7Very low34.6Very low174 Ų174135.2 Ų135.286%0.85779%0.789SS**  cis-148.9-178.530.9-56.4-173.576.500114.2
308D32.3Very low34.8Very low140 Ų140134.9 Ų134.975%0.74979%0.787SS**  trans-83.4156.6-156.4-56.2-102.1000121.2
309K32.6Very low34.6Very low213 Ų213134.9 Ų134.993%0.92678%0.782SS**  -179.6147.9109.1-94.3164.5-176.1176.80114.1
310K32.2Very low34.3Very low174 Ų174135.7 Ų135.776%0.75778%0.784SS**  trans-144.4152.2177-150.7-164179.5-178.60109.2
311P39.5Very low33.9Very low122 Ų122134.7 Ų134.779%0.79278%0.783SS**  -140.8147.589.433.2-15.7000112.2
312S28.7Very low34.2Very low76 Ų76135.9 Ų135.953%0.53178%0.783SS.*  75.899.554.6-156.40000116.5
313L30.5Very low35.2Very low170 Ų170137 Ų13789%0.8978%0.783SS**  167.3162121.3-84.2169.2000113.3
314S29.1Very low35Very low110 Ų110137 Ų13777%0.76978%0.783SS**  trans-96.2-158.3-166.6-400000113.6
315P45.1Very low34.7Very low109 Ų109138.8 Ų138.871%0.70879%0.785SS**  cis-143.3-178.1-12.440.7-20.6000118
316S30.8Very low35.1Very low98 Ų98139.4 Ų139.469%0.68579%0.786SS**  trans62.9159.5154.6-60.10000120.2
317H35.9Very low34.1Very low170 Ų170138.5 Ų138.579%0.78778%0.783SS**  cis-139.7153.117.6-65.9-103.3000111.1
318R34.1Very low34.1Very low233 Ų233138.2 Ų138.288%0.87978%0.784SS**  43.813686.9-112.8-162.7177.9-156.40.9114.9
319S33Very low34.2Very low85 Ų85136.4 Ų136.459%0.59478%0.782SS**  cis-157.4144.87-320000109.9
320V35Very low34.5Very low147 Ų147132.7 Ų132.789%0.89178%0.78SS**  71.4131.699.8-179.90000118.4
321A28.7Very low34.6Very low96 Ų96131.7 Ų131.779%0.79378%0.782SS**  trans108.8132.1156.200000120.5
322L37.5Very low34.4Very low170 Ų170132.3 Ų132.389%0.8977%0.774SS**  trans-98.6-167.8166.6-62.4163.2000108.7
323P50.3Low34.6Very low111 Ų111136.4 Ų136.472%0.72178%0.783SS**  cis-128-179.3-18.335.1-17.1000113.3
324S26.1Very low34.6Very low125 Ų125136.3 Ų136.387%0.87478%0.775SS**  trans176152.7138.9-820000114
325L35.8Very low34.9Very low164 Ų164138.9 Ų138.986%0.85978%0.775SS**  trans-139.9145.7169.3-104.7160.1000106
326P40.2Very low34.6Very low121 Ų121143.1 Ų143.179%0.78679%0.785SS**  -158169.683.341.1-21.4000118.5
327S27Very low34.6Very low100 Ų100146.5 Ų146.570%0.69980%0.796SS**  trans59.1127.2146.5-1570000122.3
328L32.2Very low34.5Very low168 Ų168141.5 Ų141.588%0.8879%0.79SS**  -177.5153.8108.5-93.8171.7000111.7
329S33.6Very low35.1Very low102 Ų102137 Ų13771%0.71379%0.788SS**  trans-116.3166176.955.30000111.6
330P39.5Very low35.4Very low136 Ų136141.9 Ų141.988%0.88380%0.799SS**  -137.8175.3122.215.86.7000115.7
331L34.3Very low35.9Very low152 Ų152141.6 Ų141.680%0.79680%0.798SS**  trans-108178.2-164.8-175.965000112.9
332E34.5Very low36.4Very low135 Ų135142.9 Ų142.963%0.63180%0.798SS**  trans87.6141.7166.3-55.8-73.376.400115.9
333K34.6Very low36.6Very low163 Ų163139.3 Ų139.371%0.70979%0.793SS**  cis-156.4137.59.8-133.9174.7-175.977.60113.2
334K29.6Very low36.1Very low167 Ų167145.2 Ų145.273%0.72680%0.801SS**  trans62.6109.1134.7-162.4166-173.1178.20123.9
335Q35.1Very low36.7Very low164 Ų164144.2 Ų144.277%0.76679%0.792SS**  trans46.8130135.1-63.7174-4900122.7
336Q39Very low37.2Very low198 Ų198145.6 Ų145.693%0.92579%0.793SS**  -157.9153.5109-110.7176.313.200114.1
337N31.7Very low37.3Very low170 Ų170148.7 Ų148.791%0.90979%0.794SS**  trans-68.4150.8178.6-105.3-8.4000112.3
338G33.5Very low38.1Very low64 Ų64155.4 Ų155.466%0.6680%0.804SS**  trans-176.169.6176.100000116.1K340G338-K340 PolarHBondContact O-N 2.84Å; G338-K340 VanDerWaalsContact O-N 3.11Å
339T45.3Very low38.6Very low139 Ų139150.5 Ų150.585%0.85379%0.788SS**  trans-59.6110.9174-50.40000111.9
340K40.2Very low39.2Very low188 Ų188151.6 Ų151.682%0.81780%0.796SS**  trans-166.5136149.843.1-157.277.7174.90111.7G338G338-K340 PolarHBondContact O-N 2.84Å; G338-K340 VanDerWaalsContact O-N 3.11Å
341T45.5Very low39.5Very low141 Ų141148.3 Ų148.387%0.86579%0.787SS**PPolyproline II helixtrans-77.8122.2-172.434.90000112
342P39.2Very low41Very low122 Ų122148.5 Ų148.579%0.79278%0.777SS**PPolyproline II helixtrans-77.3126167.130-31.1000109.8R344P342-R344 PolarHBondContact O-N 3.31Å
343A41.3Very low43Very low96 Ų96148.1 Ų148.179%0.79378%0.783SS**PPolyproline II helixtrans-55130.2175.900000110.8P345A343-P345 VanDerWaalsContact O-CD 3.27Å; A343-P345 WeakPolarHBondContact O-CD 3.46Å
344R39Very low45.3Very low235 Ų235143.6 Ų143.689%0.88776%0.764SS**PPolyproline II helixtrans-69118.5175.3-78.5-175.9171.7-171.6-1.6109.3P342P342-R344 PolarHBondContact O-N 3.31Å
345P39.5Very low48Very low104 Ų104137.9 Ų137.968%0.67574%0.741SS**PPolyproline II helixtrans-66.3140.3167.229.2-33.2000108.6A343 K347A343-P345 VanDerWaalsContact O-CD 3.27Å; A343-P345 WeakPolarHBondContact O-CD 3.46Å; P345-K347 PolarHBondContact O-N 2.87Å
346H47.4Very low50.5Low193 Ų193131.8 Ų131.889%0.89472%0.716SS**  trans-67.679.4170.9-77.7-88.6000110.2R348H346-R348 PolarHBondContact O-N 3.16Å
347K41.7Very low52.9Low185 Ų185124.4 Ų124.480%0.80468%0.683SS**  trans-55.6114168.6-84.9-170.8173.8-176.70108.2P345 A349P345-K347 PolarHBondContact O-N 2.87Å; K347-A349 PolarHBondContact O-N 3.22Å; K347-A349 VanDerWaalsContact O-N 3.08Å
348R43Very low55.7Low241 Ų241122.3 Ų122.391%0.90967%0.665SS**  trans-52.3117.1167.9-62.6179.5-173.1165.72.4107.2H346 S350H346-R348 PolarHBondContact O-N 3.16Å; R348-S350 PolarHBondContact O-N 3.15Å
349A43.8Very low58.6Low66 Ų66120.2 Ų120.255%0.54564%0.639SS.*SBendtrans-78.145-165.200000114.2K347 G351K347-A349 PolarHBondContact O-N 3.22Å; K347-A349 VanDerWaalsContact O-N 3.08Å; A349-G351 PolarHBondContact O-N 3.06Å
350S45.4Very low60.8Low125 Ų125113.6 Ų113.687%0.87460%0.598SS**  trans-89.945.1171.7-170.80000111.4R348R348-S350 PolarHBondContact O-N 3.15Å
351G46.3Very low63.3Low67 Ų67104.9 Ų104.969%0.69156%0.561SS**  trans-143.729.7175.600000110.5A349 V353A349-G351 PolarHBondContact O-N 3.06Å; G351-V353 PolarHBondContact O-N 3.08Å
352R65Low65.6Low156 Ų15698.7 Ų98.759%0.58952%0.523SS*.  trans-81.586.9-176-158.9177-58.5-109.71.6108F354R352-F354 PolarHBondContact O-N 3.49Å
353V77.6Confident68.1Low126 Ų12697 Ų9776%0.76451%0.512SS*.  trans-46.8131.1172.9178.20000108.4G351 D355G351-V353 PolarHBondContact O-N 3.08Å; V353-D355 PolarHBondContact O-N 3.44Å
354F81.4Confident70.2Confident68 Ų6894.6 Ų94.630%0.29849%0.486SS..  trans-69.5102.3-179.3173-108.6000109.7R352 P356 H359 S370 T372R352-F354 PolarHBondContact O-N 3.49Å; F354-P356 HydrophobicContact CD1-CG 4.39Å; F354-P356 HydrophobicContact CE1-CB 4.3Å; F354-P356 HydrophobicContact CE1-CG 3.83Å; F354-P356 HydrophobicContact CZ-CB 4.35Å; F354-P356 HydrophobicContact CZ-CG 4.35Å; F354-P356 WeakPolarHBondContact O-CD 3.5Å; F354-H359 HydrophobicContact CD2-CB 4.05Å; F354-H359 HydrophobicContact CE2-CB 3.78Å; F354-S370 WeakPolarHBondContact CD1-OG 3.36Å; F354-S370 VanDerWaalsContact CD2-OG 3.32Å; F354-S370 WeakPolarHBondContact CD2-OG 3.39Å; F354-S370 VanDerWaalsContact CG-OG 3.23Å; F354-S370 WeakPolarHBondContact CG-OG 3.46Å; F354-T372 HydrophobicContact CD2-CG2 4.39Å
355D86.6Confident72.1Confident48 Ų4889.2 Ų89.226%0.25748%0.481SS..  trans-91.7111.1171176.6-10.8000109.3V353 D357 K358 H359V353-D355 PolarHBondContact O-N 3.44Å; D355-D357 PolarHBondContact O-N 3.41Å; D355-D357 WeakPolarHBondContact OD1-CB 3.37Å; D355-D357 PolarHBondContact OD1-N 3.05Å; D355-K358 HydrophobicContact CB-CB 4.4Å; D355-K358 PolarHBondContact O-N 3.27Å; D355-K358 PolarHBondContact OD1-N 3.23Å; D355-K358 WeakPolarHBondContact OD2-CD 3.13Å; D355-K358 WeakPolarHBondContact OD2-CE 3.47Å; D355-K358 WeakPolarHBondContact OD2-CG 3.35Å; D355-K358 IonicContact OD2-NZ 2.79Å; D355-H359 PolarHBondContact N-ND1 3.46Å; D355-H359 VanDerWaalsContact N-ND1 3.19Å; D355-H359 WeakPolarHBondContact O-CB 3.43Å; D355-H359 PolarHBondContact O-N 3.33Å; D355-H359 PolarHBondContact O-ND1 3.02Å
356P88.4Confident73.8Confident35 Ų3593.2 Ų93.223%0.22749%0.491CS..THydrogen-bonded Turntrans-58.9-24.7179.5-23.534000114.5F354 G390 R391F354-P356 HydrophobicContact CD1-CG 4.39Å; F354-P356 HydrophobicContact CE1-CB 4.3Å; F354-P356 HydrophobicContact CE1-CG 3.83Å; F354-P356 HydrophobicContact CZ-CB 4.35Å; F354-P356 HydrophobicContact CZ-CG 4.35Å; F354-P356 WeakPolarHBondContact O-CD 3.5Å; P356-G390 WeakPolarHBondContact CB-O 3.4Å; P356-G390 WeakPolarHBondContact CG-O 3.46Å; P356-R391 HydrophobicContact CB-CG 4.49Å; P356-R391 PolarHBondContact O-NH1 3.06Å
357D89Confident75.2Confident43 Ų4387.5 Ų87.523%0.2347%0.47CS..THydrogen-bonded Turntrans-91.9-9-173.6-65.5-18000113D355 L375 S392 L398D355-D357 PolarHBondContact O-N 3.41Å; D355-D357 WeakPolarHBondContact OD1-CB 3.37Å; D355-D357 PolarHBondContact OD1-N 3.05Å; D357-L375 WeakPolarHBondContact O-CD1 3.33Å; D357-S392 PolarHBondContact OD1-N 3.39Å; D357-S392 PolarHBondContact OD1-OG 3.24Å; D357-S392 VanDerWaalsContact OD2-CB 3.22Å; D357-S392 WeakPolarHBondContact OD2-CB 3.36Å; D357-S392 PolarHBondContact OD2-OG 3.45Å; D357-L398 HydrophobicContact CB-CD1 4.4Å; D357-L398 HydrophobicContact CB-CD2 4.04Å
358K91.1Very high76.9Confident126 Ų12688 Ų8855%0.54847%0.472SS..THydrogen-bonded Turntrans-117.2-22.4176-60.9-174.9-157.8-38.90113.3D355 L375D355-K358 HydrophobicContact CB-CB 4.4Å; D355-K358 PolarHBondContact O-N 3.27Å; D355-K358 PolarHBondContact OD1-N 3.23Å; D355-K358 WeakPolarHBondContact OD2-CD 3.13Å; D355-K358 WeakPolarHBondContact OD2-CE 3.47Å; D355-K358 WeakPolarHBondContact OD2-CG 3.35Å; D355-K358 IonicContact OD2-NZ 2.79Å; K358-L375 PolarHBondContact O-N 3.08Å; K358-L375 VanDerWaalsContact O-N 3.07Å
359H92.9Very high78.9Confident21 Ų2185.6 Ų85.610%0.09746%0.463CS..BIsolated β-bridgetrans-107166.1-173.5-56.4101.9000113.6F354 D355 T372 R373 R391F354-H359 HydrophobicContact CD2-CB 4.05Å; F354-H359 HydrophobicContact CE2-CB 3.78Å; D355-H359 PolarHBondContact N-ND1 3.46Å; D355-H359 VanDerWaalsContact N-ND1 3.19Å; D355-H359 WeakPolarHBondContact O-CB 3.43Å; D355-H359 PolarHBondContact O-N 3.33Å; D355-H359 PolarHBondContact O-ND1 3.02Å; H359-T372 PolarHBondContact CD2-O 2.96Å; H359-R373 CarbonylContact C-O 3.46Å; H359-R373 VanDerWaalsContact CA-O 3.23Å; H359-R373 WeakPolarHBondContact CA-O 3.49Å; H359-R373 WeakPolarHBondContact CB-O 3.18Å; H359-R391 PolarHBondContact O-NH1 3.28Å
360C93.2Very high81.1Confident0 Ų084.3 Ų84.30%045%0.45CS..  trans-65.7-43.1-178.3-177.50000111.5V362 C371 R373 S374 C377 H380 R385 R391C360-V362 PolarHBondContact O-N 3.21Å; C360-C371 HydrophobicContact CB-CB 3.87Å; C360-C371 WeakPolarHBondContact CB-O 3.44Å; C360-C371 PolarHBondContact N-O 3.31Å; C360-R373 WeakPolarHBondContact CB-O 3.32Å; C360-R373 PolarHBondContact N-O 3.16Å; C360-S374 WeakPolarHBondContact CB-O 3.42Å; C360-C377 HydrophobicContact CB-CB 3.58Å; C360-C377 VanDerWaalsContact SG-CB 3.56Å; C360-H380 PolarHBondContact SG-CD2 3.21Å; C360-R385 VanDerWaalsContact SG-CG 3.5Å; C360-R391 PolarHBondContact O-NH2 3.1Å
361G91.6Very high83.3Confident5 Ų578.5 Ų78.55%0.05241%0.41CS..  trans71.3-916900000117C371G361-C371 PolarHBondContact N-O 3.03Å
362V93.5Very high85.5Confident10 Ų1078.8 Ų78.86%0.06140%0.398CS..PPolyproline II helixtrans-60127.3171.7-1770000108.5C360 D364 C371 H380 Q384 R385 V388C360-V362 PolarHBondContact O-N 3.21Å; V362-D364 PolarHBondContact O-N 2.92Å; V362-C371 WeakPolarHBondContact O-CB 3.42Å; V362-C371 PolarHBondContact O-N 3.44Å; V362-H380 HydrophobicContact CB-CB 4.19Å; V362-H380 HydrophobicContact CG1-CB 4.3Å; V362-H380 WeakPolarHBondContact CG1-ND1 3.33Å; V362-H380 HydrophobicContact CG2-CB 3.87Å; V362-Q384 HydrophobicContact CG1-CB 4.02Å; V362-Q384 HydrophobicContact CG2-CB 3.98Å; V362-R385 HydrophobicContact CG2-CB 4.35Å; V362-R385 HydrophobicContact CG2-CG 3.69Å; V362-V388 HydrophobicContact CB-CG2 4.35Å; V362-V388 HydrophobicContact CG2-CG2 3.69Å
363P91.9Very high86.8Confident87 Ų8777.6 Ų77.657%0.56539%0.394SS*.BIsolated β-bridgetrans-67.2125.3174.326.8-32.6000109.7
364D86.3Confident87.5Confident46 Ų4673.9 Ų73.925%0.24637%0.373CS..PPolyproline II helixtrans-70.1128174.6-85.1-46.5000109.8V362 E366 T367 K368 R369 H380V362-D364 PolarHBondContact O-N 2.92Å; D364-E366 VanDerWaalsContact C-N 3.26Å; D364-E366 PolarHBondContact O-N 3.38Å; D364-T367 WeakPolarHBondContact CB-OG1 3.27Å; D364-T367 PolarHBondContact O-N 3.38Å; D364-K368 WeakPolarHBondContact O-CA 3.48Å; D364-K368 PolarHBondContact O-N 3.04Å; D364-R369 PolarHBondContact N-O 3.37Å; D364-H380 IonicContact OD1-CE1 3.83Å; D364-H380 PolarHBondContact OD1-CE1 3.33Å; D364-H380 IonicContact OD1-NE2 3.15Å; D364-H380 PolarHBondContact OD1-NE2 3.44Å
365P78.6Confident88Confident121 Ų12170.8 Ų70.879%0.78636%0.359SS*.THydrogen-bonded Turntrans-64.6-30.1-17525.5-34.1000112.9
366E74.9Confident88.3Confident189 Ų18971.7 Ų71.788%0.88337%0.367SS*.THydrogen-bonded Turntrans-83.6-32.3-178.7-62-173.9144.600113.5D364D364-E366 VanDerWaalsContact C-N 3.26Å; D364-E366 PolarHBondContact O-N 3.38Å
367T77.5Confident88.4Confident73 Ų7370.1 Ų70.145%0.44836%0.357SS..THydrogen-bonded Turntrans-110-10.1-170.673.10000114.3D364 R369D364-T367 WeakPolarHBondContact CB-OG1 3.27Å; D364-T367 PolarHBondContact O-N 3.38Å; T367-R369 PolarHBondContact O-N 3.14Å; T367-R369 PolarHBondContact OG1-N 3.2Å
368K77Confident88.6Confident194 Ų19477.4 Ų77.484%0.84339%0.386SS*.  trans56.37.6-172.1-56.1-179.8-178.7178.30114.6D364D364-K368 WeakPolarHBondContact O-CA 3.48Å; D364-K368 PolarHBondContact O-N 3.04Å
369R85.9Confident88.7Confident191 Ų19175.3 Ų75.372%0.72138%0.384SS*.SBendtrans-91.3145.9178.1-67.6171.7-178171.91.2109.4D364 T367D364-R369 PolarHBondContact N-O 3.37Å; T367-R369 PolarHBondContact O-N 3.14Å; T367-R369 PolarHBondContact OG1-N 3.2Å
370S89.3Confident88.6Confident39 Ų3975 Ų7527%0.27338%0.383SS..BIsolated β-bridgetrans-71137.1172.252.70000110.5F354 T372F354-S370 WeakPolarHBondContact CD1-OG 3.36Å; F354-S370 VanDerWaalsContact CD2-OG 3.32Å; F354-S370 WeakPolarHBondContact CD2-OG 3.39Å; F354-S370 VanDerWaalsContact CG-OG 3.23Å; F354-S370 WeakPolarHBondContact CG-OG 3.46Å; S370-T372 PolarHBondContact O-N 2.99Å
371C91.8Very high88.6Confident4 Ų477.6 Ų77.63%0.02740%0.401CS..  trans-65.3107.8-176.2-175.10000111.2C360 G361 V362 R373 H380C360-C371 HydrophobicContact CB-CB 3.87Å; C360-C371 WeakPolarHBondContact CB-O 3.44Å; C360-C371 PolarHBondContact N-O 3.31Å; G361-C371 PolarHBondContact N-O 3.03Å; V362-C371 WeakPolarHBondContact O-CB 3.42Å; V362-C371 PolarHBondContact O-N 3.44Å; C371-R373 PolarHBondContact O-N 2.84Å; C371-H380 WeakPolarHBondContact CB-NE2 3.18Å; C371-H380 VanDerWaalsContact SG-CD2 3.57Å; C371-H380 PolarHBondContact SG-NE2 2.83Å
372T92.1Very high88.7Confident72 Ų7280.4 Ų80.444%0.44242%0.415SS..  trans-83.113.4178.659.60000113.7F354 H359 S370F354-T372 HydrophobicContact CD2-CG2 4.39Å; H359-T372 PolarHBondContact CD2-O 2.96Å; S370-T372 PolarHBondContact O-N 2.99Å
373R91.9Very high88.6Confident132 Ų13285.1 Ų85.150%0.49844%0.443SS..SBendtrans-72.6164.1165.5-55.7-169.876-163.97.7109.4H359 C360 C371 C377 T379H359-R373 CarbonylContact C-O 3.46Å; H359-R373 VanDerWaalsContact CA-O 3.23Å; H359-R373 WeakPolarHBondContact CA-O 3.49Å; H359-R373 WeakPolarHBondContact CB-O 3.18Å; C360-R373 WeakPolarHBondContact CB-O 3.32Å; C360-R373 PolarHBondContact N-O 3.16Å; C371-R373 PolarHBondContact O-N 2.84Å; R373-C377 HydrophobicContact CB-CB 3.8Å; R373-T379 PolarHBondContact NH1-OG1 3.47Å
374S92.3Very high88.7Confident47 Ų4785.5 Ų85.533%0.32944%0.438SS..BIsolated β-bridgetrans-58.3161.9179.957.70000113.2C360 T376 C377C360-S374 WeakPolarHBondContact CB-O 3.42Å; S374-T376 PolarHBondContact O-N 2.94Å; S374-T376 PolarHBondContact OG-OG1 3.18Å; S374-C377 WeakPolarHBondContact O-CA 3.47Å; S374-C377 WeakPolarHBondContact O-CB 3.44Å; S374-C377 PolarHBondContact O-N 3.44Å
375L92.7Very high89Confident3 Ų384.8 Ų84.82%0.01643%0.431CS..THydrogen-bonded Turntrans-42-40.6166.7-78.3156.5000113.4D357 K358 C377 R385 F395 L398 L399 H402D357-L375 WeakPolarHBondContact O-CD1 3.33Å; K358-L375 PolarHBondContact O-N 3.08Å; K358-L375 VanDerWaalsContact O-N 3.07Å; L375-C377 PolarHBondContact O-N 2.8Å; L375-R385 WeakPolarHBondContact O-CD 3.38Å; L375-R385 PolarHBondContact O-NH1 2.79Å; L375-F395 HydrophobicContact CB-CE2 4.26Å; L375-F395 HydrophobicContact CD2-CD2 3.7Å; L375-F395 HydrophobicContact CD2-CE2 3.74Å; L375-F395 WeakPolarHBondContact O-CE2 3.32Å; L375-F395 WeakPolarHBondContact O-CZ 3.41Å; L375-L398 HydrophobicContact CD1-CB 3.91Å; L375-L398 HydrophobicContact CD2-CB 3.86Å; L375-L398 HydrophobicContact CD2-CD1 4.27Å; L375-L399 HydrophobicContact CB-CD2 4.14Å; L375-H402 HydrophobicContact CD1-CB 3.99Å
376T91.7Very high89.7Confident68 Ų6885 Ų8542%0.41742%0.417SS..THydrogen-bonded Turntrans-78.57179.951.50000115S374 K378 L399S374-T376 PolarHBondContact O-N 2.94Å; S374-T376 PolarHBondContact OG-OG1 3.18Å; T376-K378 PolarHBondContact O-N 3.18Å; T376-L399 HydrophobicContact CG2-CD2 3.72Å
377C92.1Very high90.4Very high2 Ų279.8 Ų79.81%0.01441%0.405CS..  trans-41.4129.8-179.3172.90000114.2C360 R373 S374 L375 T379 R385C360-C377 HydrophobicContact CB-CB 3.58Å; C360-C377 VanDerWaalsContact SG-CB 3.56Å; R373-C377 HydrophobicContact CB-CB 3.8Å; S374-C377 WeakPolarHBondContact O-CA 3.47Å; S374-C377 WeakPolarHBondContact O-CB 3.44Å; S374-C377 PolarHBondContact O-N 3.44Å; L375-C377 PolarHBondContact O-N 2.8Å; C377-T379 VanDerWaalsContact SG-CB 3.59Å; C377-T379 PolarHBondContact SG-N 2.89Å; C377-R385 VanDerWaalsContact O-CZ 3.22Å; C377-R385 PolarHBondContact O-NH1 3.31Å
378K93.3Very high91Very high196 Ų19677 Ų7785%0.85239%0.388SS*.SBendtrans-86.4-9.1179.2-165.2162.5-178.8177.50114.3T376T376-K378 PolarHBondContact O-N 3.18Å
379T91.3Very high91.4Very high82 Ų8273.3 Ų73.350%0.50338%0.384SS..SBendtrans-70.8-34.5178.9-48.20000112.5R373 C377R373-T379 PolarHBondContact NH1-OG1 3.47Å; C377-T379 VanDerWaalsContact SG-CB 3.59Å; C377-T379 PolarHBondContact SG-N 2.89Å
380H91.6Very high91.3Very high15 Ų1567.3 Ų67.37%0.06938%0.382CS..SBendtrans-112.1149.6-173.1-56.6-74.3000112.6C360 V362 D364 C371 Q384 R385C360-H380 PolarHBondContact SG-CD2 3.21Å; V362-H380 HydrophobicContact CB-CB 4.19Å; V362-H380 HydrophobicContact CG1-CB 4.3Å; V362-H380 WeakPolarHBondContact CG1-ND1 3.33Å; V362-H380 HydrophobicContact CG2-CB 3.87Å; D364-H380 IonicContact OD1-CE1 3.83Å; D364-H380 PolarHBondContact OD1-CE1 3.33Å; D364-H380 IonicContact OD1-NE2 3.15Å; D364-H380 PolarHBondContact OD1-NE2 3.44Å; C371-H380 WeakPolarHBondContact CB-NE2 3.18Å; C371-H380 VanDerWaalsContact SG-CD2 3.57Å; C371-H380 PolarHBondContact SG-NE2 2.83Å; H380-Q384 HydrophobicContact CB-CB 4.4Å; H380-R385 HydrophobicContact CB-CG 4.19Å; H380-R385 VanDerWaalsContact O-CZ 3.24Å; H380-R385 PolarHBondContact O-NE 2.83Å; H380-R385 PolarHBondContact O-NH2 3.33Å
381S93.9Very high91.3Very high54 Ų5467 Ų6738%0.37838%0.375SS..  trans-65.4162.1176.976.20000111.6T383 Q384 R385S381-T383 VanDerWaalsContact C-N 3.29Å; S381-T383 PolarHBondContact O-N 3.3Å; S381-Q384 VanDerWaalsContact N-OE1 3.08Å; S381-Q384 WeakPolarHBondContact OG-CG 3.17Å; S381-Q384 PolarHBondContact OG-N 3.42Å; S381-Q384 VanDerWaalsContact OG-N 3.16Å; S381-R385 WeakPolarHBondContact O-CG 3.3Å; S381-R385 PolarHBondContact O-N 3.25Å; S381-R385 PolarHBondContact O-NE 2.89Å
382L92.1Very high91.1Very high64 Ų6470.8 Ų70.834%0.33540%0.401SS..Hα-helixtrans-61.8-42.2176-162.882.5000110.6R385 R386 F395 L399L382-R385 PolarHBondContact O-N 2.89Å; L382-R386 WeakPolarHBondContact O-CG 3.17Å; L382-R386 PolarHBondContact O-N 3.38Å; L382-F395 HydrophobicContact CD1-CE1 3.77Å; L382-F395 HydrophobicContact CG-CE1 4.32Å; L382-L399 HydrophobicContact CD1-CD1 4.46Å
383T93.3Very high90.9Very high108 Ų10873.7 Ų73.766%0.66340%0.404SS*.Hα-helixtrans-60.8-46.3179.2-41.60000112.1S381 R385 R386 A387S381-T383 VanDerWaalsContact C-N 3.29Å; S381-T383 PolarHBondContact O-N 3.3Å; T383-R385 VanDerWaalsContact C-N 3.31Å; T383-R385 PolarHBondContact O-N 2.81Å; T383-R386 PolarHBondContact O-N 2.88Å; T383-A387 PolarHBondContact O-N 2.77Å
384Q92.2Very high90.9Very high96 Ų9673.9 Ų73.945%0.44942%0.415SS..Hα-helixtrans-59.3-42.7175.5-76.8168.7-15.900111.6V362 H380 S381 R386 A387 V388V362-Q384 HydrophobicContact CG1-CB 4.02Å; V362-Q384 HydrophobicContact CG2-CB 3.98Å; H380-Q384 HydrophobicContact CB-CB 4.4Å; S381-Q384 VanDerWaalsContact N-OE1 3.08Å; S381-Q384 WeakPolarHBondContact OG-CG 3.17Å; S381-Q384 PolarHBondContact OG-N 3.42Å; S381-Q384 VanDerWaalsContact OG-N 3.16Å; Q384-R386 VanDerWaalsContact C-N 3.35Å; Q384-R386 PolarHBondContact O-N 2.82Å; Q384-A387 PolarHBondContact O-N 3.48Å; Q384-V388 WeakPolarHBondContact O-CG2 3.4Å
385R92.7Very high90.9Very high31 Ų3172 Ų7212%0.11740%0.4CS..Hα-helixtrans-66.8-33.3179.1-74.6175.3-75.6178.5-13113.4C360 V362 L375 C377 H380 S381 L382 T383 R391 F395C360-R385 VanDerWaalsContact SG-CG 3.5Å; V362-R385 HydrophobicContact CG2-CB 4.35Å; V362-R385 HydrophobicContact CG2-CG 3.69Å; L375-R385 WeakPolarHBondContact O-CD 3.38Å; L375-R385 PolarHBondContact O-NH1 2.79Å; C377-R385 VanDerWaalsContact O-CZ 3.22Å; C377-R385 PolarHBondContact O-NH1 3.31Å; H380-R385 HydrophobicContact CB-CG 4.19Å; H380-R385 VanDerWaalsContact O-CZ 3.24Å; H380-R385 PolarHBondContact O-NE 2.83Å; H380-R385 PolarHBondContact O-NH2 3.33Å; S381-R385 WeakPolarHBondContact O-CG 3.3Å; S381-R385 PolarHBondContact O-N 3.25Å; S381-R385 PolarHBondContact O-NE 2.89Å; L382-R385 PolarHBondContact O-N 2.89Å; T383-R385 VanDerWaalsContact C-N 3.31Å; T383-R385 PolarHBondContact O-N 2.81Å; R385-R391 PolarHBondContact O-NE 2.95Å; R385-R391 PolarHBondContact O-NH2 3.02Å; R385-F395 HydrophobicContact CB-CD1 4.17Å; R385-F395 HydrophobicContact CB-CD2 4.07Å; R385-F395 HydrophobicContact CB-CE1 3.76Å; R385-F395 HydrophobicContact CB-CE2 3.69Å; R385-F395 HydrophobicContact CB-CG 4.29Å; R385-F395 HydrophobicContact CB-CZ 3.52Å; R385-F395 HydrophobicContact CG-CE2 4.3Å; R385-F395 HydrophobicContact CG-CZ 4.15Å
386R93.2Very high91Very high126 Ų12675.2 Ų75.248%0.47542%0.418SS..Hα-helixtrans-70-34.4173.1-72.4174.8172.1179.2-5.3112.7L382 T383 Q384 V388 F395 D396L382-R386 WeakPolarHBondContact O-CG 3.17Å; L382-R386 PolarHBondContact O-N 3.38Å; T383-R386 PolarHBondContact O-N 2.88Å; Q384-R386 VanDerWaalsContact C-N 3.35Å; Q384-R386 PolarHBondContact O-N 2.82Å; R386-V388 PolarHBondContact O-N 3.16Å; R386-F395 HydrophobicContact CG-CB 4.12Å; R386-F395 HydrophobicContact CG-CD1 3.63Å; R386-F395 HydrophobicContact CG-CG 4.26Å; R386-D396 IonicContact CZ-OD1 2.64Å; R386-D396 IonicContact CZ-OD2 3.42Å; R386-D396 IonicContact NE-OD1 3.47Å; R386-D396 PolarHBondContact NE-OD1 3.28Å; R386-D396 IonicContact NE-OD2 3.66Å; R386-D396 PolarHBondContact NE-OD2 3.42Å; R386-D396 VanDerWaalsContact NE-OD2 3.15Å; R386-D396 IonicContact NH2-OD1 2.66Å; R386-D396 PolarHBondContact NH2-OD1 3.46Å; R386-D396 IonicContact NH2-OD2 3.11Å; R386-D396 PolarHBondContact NH2-OD2 3.46Å
387A90.9Very high91.1Very high78 Ų7875.2 Ų75.265%0.64542%0.417SS*.THydrogen-bonded Turntrans-77.62.4-179.500000114.9T383 Q384 P389T383-A387 PolarHBondContact O-N 2.77Å; Q384-A387 PolarHBondContact O-N 3.48Å; A387-P389 VanDerWaalsContact O-CD 3.27Å; A387-P389 WeakPolarHBondContact O-CD 3.44Å
388V89.6Confident91.1Very high15 Ų1575.5 Ų75.59%0.09142%0.419CS..  trans-74.8115.6179.2177.80000110.2V362 Q384 R386V362-V388 HydrophobicContact CB-CG2 4.35Å; V362-V388 HydrophobicContact CG2-CG2 3.69Å; Q384-V388 WeakPolarHBondContact O-CG2 3.4Å; R386-V388 PolarHBondContact O-N 3.16Å
389P84.7Confident91Very high117 Ų11767.1 Ų67.176%0.7638%0.383SS*.THydrogen-bonded Turntrans-72.9157.6173.632.2-35.2000111.4A387A387-P389 VanDerWaalsContact O-CD 3.27Å; A387-P389 WeakPolarHBondContact O-CD 3.44Å
390G84.8Confident91.1Very high65 Ų6566.1 Ų66.167%0.6738%0.383SS*.THydrogen-bonded Turntrans85.912173.100000116.2P356P356-G390 WeakPolarHBondContact CB-O 3.4Å; P356-G390 WeakPolarHBondContact CG-O 3.46Å
391R88.4Confident91.1Very high32 Ų3268.8 Ų68.812%0.12140%0.396CS..  trans-76.6142.2163.2-54.2-176.3-175.3-76.73109.8P356 H359 C360 R385 R393 L398P356-R391 HydrophobicContact CB-CG 4.49Å; P356-R391 PolarHBondContact O-NH1 3.06Å; H359-R391 PolarHBondContact O-NH1 3.28Å; C360-R391 PolarHBondContact O-NH2 3.1Å; R385-R391 PolarHBondContact O-NE 2.95Å; R385-R391 PolarHBondContact O-NH2 3.02Å; R391-R393 WeakPolarHBondContact CB-O 3.22Å; R391-R393 PolarHBondContact O-N 3.29Å; R391-L398 HydrophobicContact CB-CD1 4.08Å; R391-L398 HydrophobicContact CG-CD1 4.38Å
392S88.8Confident91Very high84 Ų8469.7 Ų69.759%0.58739%0.394SS*.SBendtrans-70.2-23.5174.970.80000112.8D357D357-S392 PolarHBondContact OD1-N 3.39Å; D357-S392 PolarHBondContact OD1-OG 3.24Å; D357-S392 VanDerWaalsContact OD2-CB 3.22Å; D357-S392 WeakPolarHBondContact OD2-CB 3.36Å; D357-S392 PolarHBondContact OD2-OG 3.45Å
393R88.3Confident90.8Very high132 Ų13273 Ų7350%0.49841%0.405SS..SBendtrans-136.3157.1-179.5-68.1171.4177.5165.9-8.5110.5R391 V397 L398 E401R391-R393 WeakPolarHBondContact CB-O 3.22Å; R391-R393 PolarHBondContact O-N 3.29Å; R393-V397 HydrophobicContact CB-CB 4.44Å; R393-V397 HydrophobicContact CB-CG1 4.45Å; R393-L398 HydrophobicContact CB-CD1 4.37Å; R393-L398 HydrophobicContact CB-CD2 4.01Å; R393-L398 HydrophobicContact CB-CG 3.89Å; R393-L398 WeakPolarHBondContact O-CD1 3.26Å; R393-E401 IonicContact CZ-OE1 3.8Å; R393-E401 IonicContact CZ-OE2 3.75Å; R393-E401 IonicContact NH1-OE1 3.03Å; R393-E401 PolarHBondContact NH1-OE1 3.47Å; R393-E401 IonicContact NH1-OE2 2.68Å; R393-E401 PolarHBondContact NH1-OE2 3.23Å
394L91.4Very high90.4Very high137 Ų13769.5 Ų69.572%0.71739%0.391SS*.  trans-57.5142.6174.3-65.1178.1000110.8D396 V397 L398L394-D396 PolarHBondContact O-N 3.09Å; L394-D396 VanDerWaalsContact O-N 3.11Å; L394-V397 HydrophobicContact CB-CG2 4.33Å; L394-V397 WeakPolarHBondContact O-CB 3.45Å; L394-V397 PolarHBondContact O-N 3.17Å; L394-L398 PolarHBondContact O-N 3.23Å; L394-L398 VanDerWaalsContact O-N 3.12Å
395F92.9Very high89.7Confident6 Ų669.6 Ų69.63%0.02639%0.394CS..Hα-helixtrans-53.8-35.7-176174.7-108.8000113.5L375 L382 R385 R386 L398 L399L375-F395 HydrophobicContact CB-CE2 4.26Å; L375-F395 HydrophobicContact CD2-CD2 3.7Å; L375-F395 HydrophobicContact CD2-CE2 3.74Å; L375-F395 WeakPolarHBondContact O-CE2 3.32Å; L375-F395 WeakPolarHBondContact O-CZ 3.41Å; L382-F395 HydrophobicContact CD1-CE1 3.77Å; L382-F395 HydrophobicContact CG-CE1 4.32Å; R385-F395 HydrophobicContact CB-CD1 4.17Å; R385-F395 HydrophobicContact CB-CD2 4.07Å; R385-F395 HydrophobicContact CB-CE1 3.76Å; R385-F395 HydrophobicContact CB-CE2 3.69Å; R385-F395 HydrophobicContact CB-CG 4.29Å; R385-F395 HydrophobicContact CB-CZ 3.52Å; R385-F395 HydrophobicContact CG-CE2 4.3Å; R385-F395 HydrophobicContact CG-CZ 4.15Å; R386-F395 HydrophobicContact CG-CB 4.12Å; R386-F395 HydrophobicContact CG-CD1 3.63Å; R386-F395 HydrophobicContact CG-CG 4.26Å; F395-L398 PolarHBondContact O-N 2.9Å; F395-L399 HydrophobicContact CD1-CD1 3.89Å; F395-L399 HydrophobicContact CD1-CG 4.34Å; F395-L399 HydrophobicContact CD2-CG 4.47Å; F395-L399 HydrophobicContact CE1-CD1 3.3Å; F395-L399 HydrophobicContact CE1-CG 3.91Å; F395-L399 HydrophobicContact CE2-CD1 4.31Å; F395-L399 HydrophobicContact CE2-CD2 4.26Å; F395-L399 HydrophobicContact CE2-CG 4.02Å; F395-L399 HydrophobicContact CZ-CD1 3.53Å; F395-L399 HydrophobicContact CZ-CD2 3.95Å; F395-L399 HydrophobicContact CZ-CG 3.71Å; F395-L399 WeakPolarHBondContact O-CB 3.37Å; F395-L399 WeakPolarHBondContact O-CG 3.29Å; F395-L399 PolarHBondContact O-N 2.88Å
396D93.5Very high88.9Confident72 Ų7270.6 Ų70.639%0.38541%0.409SS..Hα-helixtrans-71.1-32179.3-61.1-36000112.7R386 L394 L399 A400R386-D396 IonicContact CZ-OD1 2.64Å; R386-D396 IonicContact CZ-OD2 3.42Å; R386-D396 IonicContact NE-OD1 3.47Å; R386-D396 PolarHBondContact NE-OD1 3.28Å; R386-D396 IonicContact NE-OD2 3.66Å; R386-D396 PolarHBondContact NE-OD2 3.42Å; R386-D396 VanDerWaalsContact NE-OD2 3.15Å; R386-D396 IonicContact NH2-OD1 2.66Å; R386-D396 PolarHBondContact NH2-OD1 3.46Å; R386-D396 IonicContact NH2-OD2 3.11Å; R386-D396 PolarHBondContact NH2-OD2 3.46Å; L394-D396 PolarHBondContact O-N 3.09Å; L394-D396 VanDerWaalsContact O-N 3.11Å; D396-L399 PolarHBondContact O-N 2.91Å; D396-A400 PolarHBondContact O-N 3.35Å
397V94.5Very high88.2Confident68 Ų6870.5 Ų70.541%0.41241%0.412SS..Hα-helixtrans-68.7-47.5173179.70000109.8R393 L394 L399 A400 E401R393-V397 HydrophobicContact CB-CB 4.44Å; R393-V397 HydrophobicContact CB-CG1 4.45Å; L394-V397 HydrophobicContact CB-CG2 4.33Å; L394-V397 WeakPolarHBondContact O-CB 3.45Å; L394-V397 PolarHBondContact O-N 3.17Å; V397-L399 VanDerWaalsContact C-N 3.27Å; V397-L399 PolarHBondContact O-N 3.4Å; V397-A400 WeakPolarHBondContact O-CA 3.15Å; V397-A400 WeakPolarHBondContact O-CB 3.24Å; V397-A400 PolarHBondContact O-N 3.01Å; V397-E401 WeakPolarHBondContact O-CG 3.31Å; V397-E401 PolarHBondContact O-N 3.42Å
398L92.1Very high87.7Confident8 Ų872 Ų724%0.04241%0.405CS..Hα-helixtrans-62.4-33.7176.2-67.3170.6000112.4D357 L375 R391 R393 L394 F395 H402D357-L398 HydrophobicContact CB-CD1 4.4Å; D357-L398 HydrophobicContact CB-CD2 4.04Å; L375-L398 HydrophobicContact CD1-CB 3.91Å; L375-L398 HydrophobicContact CD2-CB 3.86Å; L375-L398 HydrophobicContact CD2-CD1 4.27Å; R391-L398 HydrophobicContact CB-CD1 4.08Å; R391-L398 HydrophobicContact CG-CD1 4.38Å; R393-L398 HydrophobicContact CB-CD1 4.37Å; R393-L398 HydrophobicContact CB-CD2 4.01Å; R393-L398 HydrophobicContact CB-CG 3.89Å; R393-L398 WeakPolarHBondContact O-CD1 3.26Å; L394-L398 PolarHBondContact O-N 3.23Å; L394-L398 VanDerWaalsContact O-N 3.12Å; F395-L398 PolarHBondContact O-N 2.9Å; L398-H402 VanDerWaalsContact O-CB 3.25Å; L398-H402 WeakPolarHBondContact O-CB 3.11Å; L398-H402 PolarHBondContact O-N 3.08Å
399L91.6Very high87.1Confident20 Ų2079.4 Ų79.411%0.10543%0.432CS..Hα-helixtrans-65.9-39.7170.5-82.6-178.8000112.6L375 T376 L382 F395 D396 V397 K403L375-L399 HydrophobicContact CB-CD2 4.14Å; T376-L399 HydrophobicContact CG2-CD2 3.72Å; L382-L399 HydrophobicContact CD1-CD1 4.46Å; F395-L399 HydrophobicContact CD1-CD1 3.89Å; F395-L399 HydrophobicContact CD1-CG 4.34Å; F395-L399 HydrophobicContact CD2-CG 4.47Å; F395-L399 HydrophobicContact CE1-CD1 3.3Å; F395-L399 HydrophobicContact CE1-CG 3.91Å; F395-L399 HydrophobicContact CE2-CD1 4.31Å; F395-L399 HydrophobicContact CE2-CD2 4.26Å; F395-L399 HydrophobicContact CE2-CG 4.02Å; F395-L399 HydrophobicContact CZ-CD1 3.53Å; F395-L399 HydrophobicContact CZ-CD2 3.95Å; F395-L399 HydrophobicContact CZ-CG 3.71Å; F395-L399 WeakPolarHBondContact O-CB 3.37Å; F395-L399 WeakPolarHBondContact O-CG 3.29Å; F395-L399 PolarHBondContact O-N 2.88Å; D396-L399 PolarHBondContact O-N 2.91Å; V397-L399 VanDerWaalsContact C-N 3.27Å; V397-L399 PolarHBondContact O-N 3.4Å; L399-K403 WeakPolarHBondContact O-CB 3.42Å; L399-K403 VanDerWaalsContact O-CG 3.24Å; L399-K403 WeakPolarHBondContact O-CG 3.27Å; L399-K403 PolarHBondContact O-N 2.85Å
400A93.1Very high86.8Confident61 Ų6179.1 Ų79.150%0.50442%0.42SS..Hα-helixtrans-64.6-45.6175.400000110.8D396 V397 K403 G404D396-A400 PolarHBondContact O-N 3.35Å; V397-A400 WeakPolarHBondContact O-CA 3.15Å; V397-A400 WeakPolarHBondContact O-CB 3.24Å; V397-A400 PolarHBondContact O-N 3.01Å; A400-K403 PolarHBondContact O-N 2.66Å; A400-G404 PolarHBondContact O-N 2.93Å
401E92.4Very high86.4Confident71 Ų7178.1 Ų78.133%0.33241%0.405SS..Hα-helixtrans-63.4-45.4176.3-67.6-176.4145.300111.9R393 V397 K403 G404 L405R393-E401 IonicContact CZ-OE1 3.8Å; R393-E401 IonicContact CZ-OE2 3.75Å; R393-E401 IonicContact NH1-OE1 3.03Å; R393-E401 PolarHBondContact NH1-OE1 3.47Å; R393-E401 IonicContact NH1-OE2 2.68Å; R393-E401 PolarHBondContact NH1-OE2 3.23Å; V397-E401 WeakPolarHBondContact O-CG 3.31Å; V397-E401 PolarHBondContact O-N 3.42Å; E401-K403 VanDerWaalsContact C-N 3.26Å; E401-K403 PolarHBondContact O-N 2.91Å; E401-G404 PolarHBondContact O-N 2.85Å; E401-G404 VanDerWaalsContact O-N 3.12Å; E401-L405 WeakPolarHBondContact O-CB 3.42Å; E401-L405 VanDerWaalsContact O-CG 3.27Å; E401-L405 WeakPolarHBondContact O-CG 3.48Å; E401-L405 PolarHBondContact O-N 2.97Å
402H90.1Very high86Confident72 Ų7280.6 Ų80.633%0.33342%0.421SS..Hα-helixtrans-63.2-30.9175.7-172.4-56.2000112.4L375 L398 A406L375-H402 HydrophobicContact CD1-CB 3.99Å; L398-H402 VanDerWaalsContact O-CB 3.25Å; L398-H402 WeakPolarHBondContact O-CB 3.11Å; L398-H402 PolarHBondContact O-N 3.08Å; H402-A406 WeakPolarHBondContact O-CB 3.48Å; H402-A406 PolarHBondContact O-N 2.99Å
403K89.1Confident85.4Confident133 Ų13381.5 Ų81.558%0.57841%0.414SS*.Hα-helixtrans-75.5-36.6172.1-74.1171.3179.7179.70112.3L399 A400 E401 K407L399-K403 WeakPolarHBondContact O-CB 3.42Å; L399-K403 VanDerWaalsContact O-CG 3.24Å; L399-K403 WeakPolarHBondContact O-CG 3.27Å; L399-K403 PolarHBondContact O-N 2.85Å; A400-K403 PolarHBondContact O-N 2.66Å; E401-K403 VanDerWaalsContact C-N 3.26Å; E401-K403 PolarHBondContact O-N 2.91Å; K403-K407 PolarHBondContact O-N 2.86Å
404G84.9Confident84.8Confident35 Ų3582.1 Ų82.136%0.36142%0.423SS..Hα-helixtrans-67-51.9176.800000112.1A400 E401 A406 K407 E408A400-G404 PolarHBondContact O-N 2.93Å; E401-G404 PolarHBondContact O-N 2.85Å; E401-G404 VanDerWaalsContact O-N 3.12Å; G404-A406 PolarHBondContact O-N 3.36Å; G404-K407 WeakPolarHBondContact O-CA 3.4Å; G404-K407 WeakPolarHBondContact O-CB 3.28Å; G404-K407 PolarHBondContact O-N 2.85Å; G404-E408 PolarHBondContact O-N 2.93Å
405L77.4Confident84.2Confident99 Ų9981.8 Ų81.852%0.51842%0.415SS..Hα-helixtrans-58.8-31.1176.9-69.3170.8000112.7E401 R409E401-L405 WeakPolarHBondContact O-CB 3.42Å; E401-L405 VanDerWaalsContact O-CG 3.27Å; E401-L405 WeakPolarHBondContact O-CG 3.48Å; E401-L405 PolarHBondContact O-N 2.97Å; L405-R409 VanDerWaalsContact O-CB 3.26Å; L405-R409 WeakPolarHBondContact O-CB 3.29Å; L405-R409 WeakPolarHBondContact O-CG 3.43Å; L405-R409 PolarHBondContact O-N 3.23Å
406A76.1Confident83.3Confident51 Ų5187.7 Ų87.742%0.42144%0.443SS..Hα-helixtrans-66.3-44.7172.600000111.8H402 G404 R409 E410H402-A406 WeakPolarHBondContact O-CB 3.48Å; H402-A406 PolarHBondContact O-N 2.99Å; G404-A406 PolarHBondContact O-N 3.36Å; A406-R409 PolarHBondContact O-N 3.16Å; A406-E410 WeakPolarHBondContact O-CG 3.32Å; A406-E410 PolarHBondContact O-N 3.3Å
407K78.9Confident82.4Confident124 Ų12491.4 Ų91.454%0.53946%0.456SS..Hα-helixtrans-64.9-41.6176-67.5178.4177.3-1770111.6K403 G404 E410 A411K403-K407 PolarHBondContact O-N 2.86Å; G404-K407 WeakPolarHBondContact O-CA 3.4Å; G404-K407 WeakPolarHBondContact O-CB 3.28Å; G404-K407 PolarHBondContact O-N 2.85Å; K407-E410 PolarHBondContact O-N 3.5Å; K407-A411 PolarHBondContact O-N 3.33Å; K407-A411 VanDerWaalsContact O-N 3.07Å
408E79.8Confident81.1Confident109 Ų10994.8 Ų94.851%0.50947%0.467SS..Hα-helixtrans-63.9-45.2176.8-169.9-170.8167.800112G404 E410 A411 L412G404-E408 PolarHBondContact O-N 2.93Å; E408-E410 VanDerWaalsContact C-N 3.32Å; E408-E410 PolarHBondContact O-N 2.95Å; E408-A411 PolarHBondContact O-N 3.49Å; E408-L412 HydrophobicContact CG-CD1 4.25Å; E408-L412 WeakPolarHBondContact O-CG 3.47Å; E408-L412 PolarHBondContact O-N 3.17Å
409R77.5Confident80.2Confident172 Ų172101.8 Ų101.865%0.64950%0.497SS*.Hα-helixtrans-63.7-33.7178.4-76.7-73.1-178.3172.5-2.3113.3L405 A406 K413L405-R409 VanDerWaalsContact O-CB 3.26Å; L405-R409 WeakPolarHBondContact O-CB 3.29Å; L405-R409 WeakPolarHBondContact O-CG 3.43Å; L405-R409 PolarHBondContact O-N 3.23Å; A406-R409 PolarHBondContact O-N 3.16Å; R409-K413 WeakPolarHBondContact O-CG 3.49Å; R409-K413 PolarHBondContact O-N 3.36Å
410E78.1Confident78.7Confident111 Ų111107.7 Ų107.752%0.51952%0.524SS..Hα-helixtrans-72.2-43.5173.3-66.7-58.7110.800111.6A406 K407 E408 L412 K413 E414A406-E410 WeakPolarHBondContact O-CG 3.32Å; A406-E410 PolarHBondContact O-N 3.3Å; K407-E410 PolarHBondContact O-N 3.5Å; E408-E410 VanDerWaalsContact C-N 3.32Å; E408-E410 PolarHBondContact O-N 2.95Å; E410-L412 VanDerWaalsContact C-N 3.27Å; E410-L412 PolarHBondContact O-N 3.24Å; E410-K413 PolarHBondContact O-N 3.4Å; E410-K413 VanDerWaalsContact O-N 3.16Å; E410-K413 IonicContact OE1-NZ 3.38Å; E410-K413 PolarHBondContact OE1-NZ 3.19Å; E410-E414 PolarHBondContact O-N 3.46Å
411A76.8Confident77.1Confident43 Ų43108.3 Ų108.336%0.35553%0.53SS..Hα-helixtrans-62.3-32176.400000113.3K407 E408 K415K407-A411 PolarHBondContact O-N 3.33Å; K407-A411 VanDerWaalsContact O-N 3.07Å; E408-A411 PolarHBondContact O-N 3.49Å; A411-K415 WeakPolarHBondContact O-CG 3.39Å; A411-K415 PolarHBondContact O-N 2.94Å
412L78.1Confident75.6Confident85 Ų85108.6 Ų108.645%0.44554%0.544SS..Hα-helixtrans-70-41.4173.8-71.7171.4000112.2E408 E410 E414 K415 E416E408-L412 HydrophobicContact CG-CD1 4.25Å; E408-L412 WeakPolarHBondContact O-CG 3.47Å; E408-L412 PolarHBondContact O-N 3.17Å; E410-L412 VanDerWaalsContact C-N 3.27Å; E410-L412 PolarHBondContact O-N 3.24Å; L412-E414 VanDerWaalsContact C-N 3.31Å; L412-E414 PolarHBondContact O-N 3.39Å; L412-K415 PolarHBondContact O-N 3.34Å; L412-E416 WeakPolarHBondContact O-CB 3.32Å; L412-E416 PolarHBondContact O-N 3.01Å
413K77.4Confident74.1Confident103 Ų103113 Ų11345%0.44857%0.565SS.*Hα-helixtrans-64.3-35.3174.7-70.5170.2-174.7171.30112.7R409 E410 E416 K417R409-K413 WeakPolarHBondContact O-CG 3.49Å; R409-K413 PolarHBondContact O-N 3.36Å; E410-K413 PolarHBondContact O-N 3.4Å; E410-K413 VanDerWaalsContact O-N 3.16Å; E410-K413 IonicContact OE1-NZ 3.38Å; E410-K413 PolarHBondContact OE1-NZ 3.19Å; K413-E416 PolarHBondContact O-N 2.8Å; K413-K417 WeakPolarHBondContact O-CG 3.4Å; K413-K417 PolarHBondContact O-N 3.3Å; K413-K417 VanDerWaalsContact O-N 3.09Å
414E75.8Confident72.4Confident144 Ų144117.8 Ų117.867%0.67358%0.579SS**Hα-helixtrans-64.9-47.2176.5-169.3169.3-160.800110.6E410 L412 E416 K417 E418E410-E414 PolarHBondContact O-N 3.46Å; L412-E414 VanDerWaalsContact C-N 3.31Å; L412-E414 PolarHBondContact O-N 3.39Å; E414-E416 VanDerWaalsContact C-N 3.31Å; E414-E416 PolarHBondContact O-N 2.96Å; E414-K417 PolarHBondContact O-N 2.96Å; E414-E418 PolarHBondContact O-N 2.7Å
415K77.3Confident70.9Confident131 Ų131119.4 Ų119.457%0.5760%0.595SS**Hα-helixtrans-64.9-29.3174.4-71.9177.9177-176.10114.2A411 L412 K419A411-K415 WeakPolarHBondContact O-CG 3.39Å; A411-K415 PolarHBondContact O-N 2.94Å; L412-K415 PolarHBondContact O-N 3.34Å; K415-K419 WeakPolarHBondContact O-CG 3.45Å; K415-K419 PolarHBondContact O-N 3.28Å
416E74.8Confident69.6Low129 Ų129124 Ų12460%0.60361%0.611SS**Hα-helixtrans-70.3-46.2175.4-167.6170.2-165.300110.8L412 K413 E414 E418 K419 E420L412-E416 WeakPolarHBondContact O-CB 3.32Å; L412-E416 PolarHBondContact O-N 3.01Å; K413-E416 PolarHBondContact O-N 2.8Å; E414-E416 VanDerWaalsContact C-N 3.31Å; E414-E416 PolarHBondContact O-N 2.96Å; E416-E418 PolarHBondContact O-N 2.61Å; E416-K419 PolarHBondContact O-N 3.45Å; E416-E420 PolarHBondContact O-N 2.88Å
417K74.2Confident68Low151 Ų151130.9 Ų130.966%0.65764%0.635SS**Hα-helixtrans-63.2-37.9174.8-74-179.6174.2-173.20113.6K413 E414 K419 A421K413-K417 WeakPolarHBondContact O-CG 3.4Å; K413-K417 PolarHBondContact O-N 3.3Å; K413-K417 VanDerWaalsContact O-N 3.09Å; E414-K417 PolarHBondContact O-N 2.96Å; K417-K419 VanDerWaalsContact C-N 3.31Å; K417-A421 WeakPolarHBondContact O-CB 3.06Å; K417-A421 PolarHBondContact O-N 3.29Å; K417-A421 VanDerWaalsContact O-N 3.08Å
418E68.4Low66.6Low138 Ų138129.5 Ų129.565%0.64565%0.646SS**Hα-helixtrans-63.7-38.3176-169.1-179.1-176.900111.5E414 E416 A421 A422E414-E418 PolarHBondContact O-N 2.7Å; E416-E418 PolarHBondContact O-N 2.61Å; E418-A421 PolarHBondContact O-N 3.4Å; E418-A422 PolarHBondContact O-N 3.36Å; E418-A422 VanDerWaalsContact O-N 3.17Å
419K72.2Confident64.5Low155 Ų155130.7 Ų130.767%0.67467%0.665SS**Hα-helixtrans-70.6-42176.6-74.9-180176-169.60113.1K415 E416 K417 A421 A422 Q423K415-K419 WeakPolarHBondContact O-CG 3.45Å; K415-K419 PolarHBondContact O-N 3.28Å; E416-K419 PolarHBondContact O-N 3.45Å; K417-K419 VanDerWaalsContact C-N 3.31Å; K419-A421 VanDerWaalsContact C-N 3.3Å; K419-A421 PolarHBondContact O-N 2.89Å; K419-A422 PolarHBondContact O-N 2.9Å; K419-Q423 PolarHBondContact O-N 3.47Å
420E60.3Low62.5Low144 Ų144125.5 Ų125.567%0.67367%0.665SS**Hα-helixtrans-61.2-39.3173.6-74.3-16612700112E416 Q423E416-E420 PolarHBondContact O-N 2.88Å; E420-Q423 PolarHBondContact O-N 2.97Å
421A59.8Low60.7Low75 Ų75129.5 Ų129.562%0.6268%0.684SS**Hα-helixtrans-64.7-39.6177.600000112.8K417 E418 K419 Q423K417-A421 WeakPolarHBondContact O-CB 3.06Å; K417-A421 PolarHBondContact O-N 3.29Å; K417-A421 VanDerWaalsContact O-N 3.08Å; E418-A421 PolarHBondContact O-N 3.4Å; K419-A421 VanDerWaalsContact C-N 3.3Å; K419-A421 PolarHBondContact O-N 2.89Å; A421-Q423 VanDerWaalsContact C-N 3.33Å; A421-Q423 PolarHBondContact O-N 2.89Å
422A60.2Low59Low76 Ų76132.3 Ų132.363%0.62870%0.701SS**Hα-helixtrans-69.3-28.3179.400000113.5E418 K419E418-A422 PolarHBondContact O-N 3.36Å; E418-A422 VanDerWaalsContact O-N 3.17Å; K419-A422 PolarHBondContact O-N 2.9Å
423Q59Low57Low165 Ų165135 Ų13577%0.77172%0.72SS**Hα-helixtrans-80-18.4-174.3-160.4158.9-7.400113.6K419 E420 A421 G425K419-Q423 PolarHBondContact O-N 3.47Å; E420-Q423 PolarHBondContact O-N 2.97Å; A421-Q423 VanDerWaalsContact C-N 3.33Å; A421-Q423 PolarHBondContact O-N 2.89Å; Q423-G425 VanDerWaalsContact C-N 3.31Å; Q423-G425 PolarHBondContact O-N 3.26Å
424R53.7Low54.9Low234 Ų234134.1 Ų134.188%0.88373%0.733SS**THydrogen-bonded Turntrans-80.4-4.6177.1-163.4171.4-177.7-92.2-1.4114.3
425G53.5Low54.2Low68 Ų68132.7 Ų132.770%0.70174%0.736SS**THydrogen-bonded Turntrans-100.86.6-169.800000116.9Q423Q423-G425 VanDerWaalsContact C-N 3.31Å; Q423-G425 PolarHBondContact O-N 3.26Å
426K50.3Low52.3Low197 Ų197134.2 Ų134.286%0.85775%0.745SS**SBendtrans-114.27.5-167.9-118.3-177.1180-173.60116.5
427E42.6Very low50.2Low195 Ų195134.4 Ų134.491%0.91175%0.75SS**SBendtrans-115.550.4-178.4-62.2-172143.200112.4
428A48.7Very low48.3Very low95 Ų95132.6 Ų132.679%0.78576%0.757SS**  trans-156142.7167.200000112.6
429C36.1Very low46.6Very low133 Ų133130.3 Ų130.390%0.89976%0.761SS**  trans79.3107.9169.6-156.20000118.2
430G36.2Very low44.4Very low63 Ų63128.5 Ų128.565%0.64977%0.768SS**  trans-136.1167.7149.800000109.3
431Q40.1Very low43.9Very low196 Ų196127.2 Ų127.292%0.91677%0.772SS**  trans75.6142.9-178.4-55.8179.83.200114.9
432S40.5Very low42.3Very low101 Ų101129.7 Ų129.771%0.70679%0.785SS**  cis-169.9148.4-11.8-1670000113.2
433V36.5Very low41.1Very low141 Ų141135.1 Ų135.186%0.85579%0.794SS**  trans64.9156.4146168.60000123.5
434A32.4Very low40.7Very low86 Ų86132.5 Ų132.571%0.71179%0.792SS**  trans-133.3-158.5-177.700000110.8
435P61.6Low39.3Very low114 Ų114129.5 Ų129.574%0.7479%0.787SS**  cis-141.1-151.4-9.841.6-18.3000115.9
436Q36.4Very low38.3Very low163 Ų163130.7 Ų130.776%0.76278%0.784SS**  trans100.6160.3167.3-56-82-119.500119
437D32.3Very low38.2Very low132 Ų132127.7 Ų127.771%0.70678%0.784SS**  cis-170.1-176.6-48.3-130.5-79.4000115.2
438S34.2Very low37.4Very low114 Ų114121.9 Ų121.980%0.79778%0.777SS**  trans74.9164.7164.5820000120.1
439A31.8Very low36.5Very low90 Ų90126.7 Ų126.774%0.74478%0.783SS**  cis-162.9-163.3-17.500000113
440S25.6Very low36.7Very low117 Ų117130.4 Ų130.482%0.81878%0.778SS**  trans-156.1-161.5-177.6-53.10000112.3
441P51.3Low36.9Very low116 Ų116133.5 Ų133.575%0.75379%0.787SS**  cis-144.5179-7.843.8-24.7000118.3
442S26.1Very low36.8Very low127 Ų127131 Ų13189%0.88878%0.779SS**  172.1166121.946.90000114.2
443K34.3Very low36.5Very low191 Ų191132.1 Ų132.183%0.8379%0.787SS**  trans-144.6-176.6-154-112.7-177.4-174.91780112.3
444P49.8Very low36.4Very low110 Ų110130.2 Ų130.271%0.71478%0.78SS**  cis-122-156.520.842.9-25.4000113.4
445H25.3Very low36.3Very low170 Ų170133.6 Ų133.679%0.78779%0.785SS**  cis-150.1-176.53-158.167.5000111.7
446C32.6Very low35Very low93 Ų93137.3 Ų137.363%0.62879%0.789SS**  trans-140.1-170.7-173.4-39.20000112.4
447P47.1Very low34.7Very low134 Ų134137.8 Ų137.887%0.8780%0.796SS**  cis-133.6169.136.140.2-21.6000117.6
448G25.7Very low34.6Very low73 Ų73142.7 Ų142.775%0.75381%0.805SS**  trans143.6108168.100000114.6
449E30.7Very low34.4Very low196 Ų196145.8 Ų145.892%0.91681%0.812SS**  trans-80.9156.5-164-62.3-87.4106.900115.9
450R41.2Very low34.3Very low212 Ų212145.7 Ų145.780%0.881%0.811SS**  trans-113.8175.7167.6-67.6177.5161.5178.5-4.8109.9
451P39.5Very low34.6Very low128 Ų128148.4 Ų148.483%0.83182%0.816SS**  -145.4155.292.335-18.1000116.1
452L38.1Very low33.6Very low143 Ų143147.8 Ų147.875%0.74982%0.821SS**  trans-114.8149157.4-68.8171.4000107.7
453S33.3Very low33.9Very low125 Ų125150.2 Ų150.287%0.87482%0.818SS**  162.5163.6124.754.90000113.6
454S35.2Very low34.3Very low100 Ų100147.9 Ų147.970%0.69981%0.813SS**  trans-103.1147.9-177.948.40000111.8
455L29.7Very low33.7Very low158 Ų158148.4 Ų148.483%0.82782%0.816SS**  178.1153.1122.3-97.8159.2000114.2
456K35.1Very low34Very low191 Ų191151.4 Ų151.483%0.8382%0.821SS**  trans-16.6138.7171-69.6167.5173.3166.30118.4
457L29.7Very low34Very low173 Ų173153.6 Ų153.691%0.90683%0.831SS**  trans-138.7159.8137.7-159.355.7000112.5
458R31.1Very low34Very low236 Ų236153.4 Ų153.489%0.89183%0.83SS**  trans-77.1145.3-173.6-67.2178.8162.5152.4-3.3112
459L28.7Very low33.9Very low179 Ų179153.9 Ų153.994%0.93784%0.835SS**  trans-99.9114.4164.3-167.765.8000109.1
460A30Very low33.8Very low88 Ų88148.1 Ų148.173%0.72783%0.828SS**  trans-123.6155.3168.700000108.7
461N32.6Very low33.4Very low174 Ų174143.8 Ų143.893%0.9383%0.83SS**  trans-46.2134.8-172.8-65.5-39.9000114.4
462A30.4Very low33.1Very low103 Ų103143.4 Ų143.485%0.85183%0.83SS**  trans-125.7117.3159.800000109.1
463H32.8Very low32.8Very low177 Ų177140.8 Ų140.882%0.81983%0.83SS**  trans-81.3161171.9-153.1-93.6000109.7
464I42.5Very low32.7Very low143 Ų143140 Ų14073%0.73382%0.824SS**  trans-59.6136.3-173.7-59153.4000112.9
465P35.6Very low32.6Very low121 Ų121140.1 Ų140.179%0.78683%0.825SS**  trans-112.2139.7156.735.3-25.4000113
466R32.8Very low32.6Very low233 Ų233137.3 Ų137.388%0.87982%0.818SS**  trans-144.1121.5167.9171.7-173.2172.979.72.5110.3
467V31.3Very low32.4Very low139 Ų139133.6 Ų133.684%0.84282%0.816SS**  trans-173.3170.3159.1-108.70000108.9
468P47.9Very low32.4Very low129 Ų129129.8 Ų129.884%0.83880%0.804SS**  cis-135.7176.3-2.926.5-2.9000117.1
469G24.4Very low32.5Very low84 Ų84126 Ų12687%0.86680%0.801SS**  trans124.8125159.300000114
470G28.5Very low32.6Very low74 Ų74122.5 Ų122.576%0.76379%0.792SS**  cis-171.5151-8.900000112
471S32.1Very low32.6Very low121 Ų121122.7 Ų122.785%0.84679%0.793SS**  trans31.2123.4162.6-54.80000122.9
472S32.1Very low32.6Very low120 Ų120120.2 Ų120.284%0.83979%0.789SS**  -171.1133.8124.9-81.10000113.4
473A32Very low32.8Very low89 Ų89120.8 Ų120.874%0.73679%0.787SS**  trans42.7104.615100000121.8
474S32.5Very low33.3Very low109 Ų109117.6 Ų117.676%0.76278%0.782SS**  40137.1108.5710000119.9
475S32.2Very low32.8Very low102 Ų102118.9 Ų118.971%0.71379%0.789SS**  cis-157.8155.821.6-53.70000113.4
476S30.1Very low33.7Very low98 Ų98118.1 Ų118.169%0.68579%0.785SS**  trans37.3119.7141.263.50000122.5
477S30.9Very low34.2Very low113 Ų113112.7 Ų112.779%0.7978%0.779SS**  68153125.5-53.20000120.5
478S30.3Very low33.9Very low94 Ų94111 Ų11166%0.65778%0.78SS**  cis-177.4156.1-27.355.70000108.3
479L32.6Very low33.1Very low156 Ų156109.1 Ų109.182%0.81778%0.776SS**  trans79.8113.4160.9-53.3176.6000120
480S31.3Very low34.5Very low106 Ų106110.8 Ų110.874%0.74177%0.771SS**  83.5109.3120.6-59.40000123.4
481A30.4Very low35.2Very low92 Ų92113.5 Ų113.576%0.7678%0.775SS**  90.8137.8118.900000122.5
482S31.6Very low35Very low122 Ų122112.5 Ų112.585%0.85377%0.774SS**  trans82.4130.9152.3-57.40000121.1
483S34Very low34.8Very low114 Ų114111.8 Ų111.880%0.79778%0.775SS**  trans-76.5-173.4162.9-410000110.8
484P44.5Very low34.7Very low110 Ų110113.8 Ų113.871%0.71478%0.779SS**  cis-145.5170.83.941.7-21.7000119.2
485L31.6Very low34.8Very low170 Ų170114.7 Ų114.789%0.8978%0.782SS**  trans71.4166.9148.6-96.486000121.4
486P55.6Low34.8Very low106 Ų106115.8 Ų115.869%0.68878%0.784SS**  trans-109.3-171.3-146.246-40.8000115.2
487P41.5Very low34.9Very low118 Ų118117.2 Ų117.277%0.76679%0.791SS**  -157.6168.194.641.6-22.5000119.3
488A26.2Very low34.9Very low103 Ų103118.5 Ų118.585%0.85179%0.785SS**  trans61.5158.9141.800000124.1
489A31.4Very low34.9Very low91 Ų91120 Ų12075%0.75279%0.792SS**  trans-130.4-155.7-17900000110.2
490P52.7Low34.5Very low118 Ų118116.7 Ų116.777%0.76678%0.782SS**  -100.9-168.4-80.641.2-29000112
491P44.6Very low35Very low132 Ų132117 Ų11786%0.85778%0.782SS**  -150.5-168.188.238.6-17.5000115.2
492A26.6Very low34.8Very low100 Ų100118.3 Ų118.383%0.82679%0.785SS**  trans-110.9162.9-162.300000116.1
493A28.7Very low34.5Very low104 Ų104117.1 Ų117.186%0.8678%0.777SS**  trans-170.6142.7138.400000112
494T29.3Very low34.2Very low131 Ų131123 Ų12380%0.80478%0.782SS**  trans-97.5165.8175.348.90000111.5
495P35.5Very low33.5Very low129 Ų129123.6 Ų123.684%0.83878%0.784SS**  -144.8171.89334.9-16.4000115.9
496V31.3Very low33.4Very low125 Ų125123.5 Ų123.576%0.75878%0.784SS**  trans-105.2147.5-176173.70000109.6
497P33.3Very low32.1Very low128 Ų128123.3 Ų123.383%0.83179%0.791SS**  -141.6146.8106.229.1-10.2000115.5
498E29.9Very low31.7Very low140 Ų140122.8 Ų122.865%0.65480%0.797SS**  trans-81.3156162.7-152.4-149.211800109.6S500E498-S500 WeakPolarHBondContact OE1-CB 3.45Å; E498-S500 PolarHBondContact OE1-N 3.49Å; E498-S500 PolarHBondContact OE1-OG 2.85Å
499P30.3Very low31.9Very low125 Ų125121.6 Ų121.681%0.81280%0.795SS**  -146.5157.791.836.9-19.5000116.6
500S24.5Very low32.1Very low87 Ų87125.6 Ų125.661%0.60880%0.804SS**  trans-85.8-160172.448.90000112.8E498E498-S500 WeakPolarHBondContact OE1-CB 3.45Å; E498-S500 PolarHBondContact OE1-N 3.49Å; E498-S500 PolarHBondContact OE1-OG 2.85Å
501P41.2Very low31Very low112 Ų112123.2 Ų123.273%0.72780%0.8SS**  -126.2-162.1-50.828-7.3000113.3
502S26.8Very low30.4Very low120 Ų120120.3 Ų120.384%0.83979%0.794SS**  trans84.7154.6170.389.40000115.8
503S25Very low31.1Very low97 Ų97126.3 Ų126.368%0.67880%0.796SS**  cis-158.4166.73.7-174.80000109.9
504W27.8Very low31.5Very low236 Ų236127 Ų12789%0.89478%0.784SS**  trans157.5135.8145.7-81.911000109.7
505T29.7Very low32Very low124 Ų124125.8 Ų125.876%0.76178%0.781SS**  cis-160.3165.9-13.3120000109.3
506N29.4Very low32.3Very low167 Ų167123.9 Ų123.989%0.89377%0.771SS**  trans-80.4165.5-170.4-62.8-47.3000116.4
507A28.9Very low32.7Very low102 Ų102124.1 Ų124.184%0.84377%0.768SS**  trans-145.1102.6147.200000112.9
508A32.9Very low33.6Very low108 Ų108126.5 Ų126.589%0.89377%0.768SS**  trans43.5129.8154.300000122.6
509G29.8Very low34.1Very low78 Ų78123.6 Ų123.680%0.80478%0.776SS**  trans168.325.5166.200000120.7
510D36.4Very low34.8Very low175 Ų175125.5 Ų125.594%0.93678%0.78SS**  trans34.8142.2160-154.714.8000123.7
511G29.9Very low35.6Very low67 Ų67125.7 Ų125.769%0.69179%0.786SS**  trans117.675.7141.900000122.4
512G31.1Very low35.7Very low71 Ų71127 Ų12773%0.73279%0.787SS**  trans88.2120.4145.600000119.2
513R42Very low36.3Very low226 Ų226127.8 Ų127.885%0.85379%0.787SS**  66.1127.287.8-89.4-157.3144.5-140.8-4.5113.8
514L36.2Very low37.5Very low118 Ų118128.2 Ų128.262%0.61879%0.787SS**  cis-166159.213.1-101.4-168.9000111.8
515S39.9Very low38.2Very low106 Ų106124.2 Ų124.274%0.74178%0.783SS**  trans37.7163.5135.8-111.10000122.4
516S42.9Very low38.5Very low90 Ų90125 Ų12563%0.62978%0.783SS**  cis-164.9174.33-143.80000111.1
517D39.7Very low39.4Very low130 Ų130121.7 Ų121.770%0.69578%0.779SS**  trans82.7104.3143.9-91.8-135.7000122.4
518E52.4Low40.4Very low177 Ų177123.7 Ų123.783%0.82778%0.775SS**  trans-9.2150.3144.127.2-92.159.900122.2
519G39.6Very low40.8Very low80 Ų80129.3 Ų129.383%0.82577%0.773SS**  trans-177.698.1166.800000112.9
520D44.3Very low41.5Very low165 Ų165130.1 Ų130.188%0.88277%0.765SS**  trans-80.5148.7-178.1175.460.7000114.1
521A41.9Very low41.9Very low90 Ų90126.7 Ų126.774%0.74475%0.754SS**  trans173.5131.5142.800000112.4
522D43.3Very low42.6Very low139 Ų139130.2 Ų130.274%0.74376%0.757SS**  trans-76.7145.2-177.9-165.6-75000114.3
523T39.8Very low43.7Very low137 Ų137135.1 Ų135.184%0.8476%0.76SS**  trans-165.4146.1140.59.20000111.2
524P50.4Low44Very low106 Ų106133.8 Ų133.869%0.68876%0.756SS**  trans-97.4169.7-16438-37.3000115.6
525D42.6Very low44.7Very low152 Ų152132.2 Ų132.281%0.81376%0.755SS**  trans70.891.8163.4-106-84.3000119.2
526D34.8Very low45.1Very low142 Ų142132.2 Ų132.276%0.75976%0.755SS**  trans-149.479.4133.3-166.1-100.9000109.2D528D526-D528 VanDerWaalsContact C-N 3.33Å; D526-D528 PolarHBondContact O-N 3.39Å
527A49Very low45.3Very low96 Ų96134.5 Ų134.579%0.79376%0.756SS**  trans-89.648.2-173.700000113.5
528D50.2Low45.5Very low145 Ų145135.4 Ų135.478%0.77576%0.755SS**  trans-14945.7172.9-144.7-4.2000115.3D526 P530D526-D528 VanDerWaalsContact C-N 3.33Å; D526-D528 PolarHBondContact O-N 3.39Å; D528-P530 WeakPolarHBondContact O-CD 3.33Å
529R39.7Very low45.4Very low225 Ų225133 Ų13385%0.84976%0.755SS**  trans-106.7105.2170.5-157.7164.397.1179.83.9111.9S531R529-S531 PolarHBondContact O-N 3.04Å
530P44.8Very low46Very low96 Ų96139.3 Ų139.362%0.62375%0.754SS**  trans-54.7133.9173.4-26.234.3000111.4D528 L532D528-P530 WeakPolarHBondContact O-CD 3.33Å; P530-L532 PolarHBondContact O-N 2.92Å
531S44.6Very low46.1Very low102 Ų102135.7 Ų135.771%0.71374%0.74SS**  trans-73.971.4-176.451.50000112.1R529 H533R529-S531 PolarHBondContact O-N 3.04Å; S531-H533 VanDerWaalsContact C-N 3.32Å; S531-H533 PolarHBondContact O-N 2.81Å; S531-H533 PolarHBondContact O-ND1 3.46Å
532L46.2Very low46.4Very low142 Ų142138 Ų13874%0.74375%0.75SS**  trans-58.987.8175.6-78166.2000111.4P530 Y534P530-L532 PolarHBondContact O-N 2.92Å; L532-Y534 VanDerWaalsContact C-N 3.31Å; L532-Y534 HydrophobicContact CB-CD2 4.42Å; L532-Y534 PolarHBondContact O-N 3.3Å
533H52.8Low46.6Very low173 Ų173134 Ų13480%0.80174%0.742SS**  trans-69.488.3170.5-79.455.7000109.3S531 S535S531-H533 VanDerWaalsContact C-N 3.32Å; S531-H533 PolarHBondContact O-N 2.81Å; S531-H533 PolarHBondContact O-ND1 3.46Å; H533-S535 PolarHBondContact O-N 3.32Å
534Y49Very low47.1Very low199 Ų199135.7 Ų135.778%0.7874%0.738SS**  trans-68.4101.7169.6-98.8-89.2000109.8L532 S536L532-Y534 VanDerWaalsContact C-N 3.31Å; L532-Y534 HydrophobicContact CB-CD2 4.42Å; L532-Y534 PolarHBondContact O-N 3.3Å; Y534-S536 PolarHBondContact O-N 2.79Å
535S51.6Low47Very low85 Ų85135.8 Ų135.859%0.59474%0.739SS**  trans-55.2121.9160.3169.20000109H533 H537H533-S535 PolarHBondContact O-N 3.32Å; S535-H537 PolarHBondContact O-N 2.74Å; S535-H537 VanDerWaalsContact O-N 3.15Å; S535-H537 PolarHBondContact OG-N 3.1Å; S535-H537 VanDerWaalsContact OG-N 3.16Å; S535-H537 PolarHBondContact OG-O 2.89Å
536S48Very low47.5Very low106 Ų106134.2 Ų134.274%0.74174%0.735SS**SBendtrans-67.8-4.3172.251.90000113.1Y534Y534-S536 PolarHBondContact O-N 2.79Å
537H46Very low48.5Very low138 Ų138134.4 Ų134.464%0.63973%0.729SS**SBendtrans-111127.2176.7-57.8-48.7000111.4S535S535-H537 PolarHBondContact O-N 2.74Å; S535-H537 VanDerWaalsContact O-N 3.15Å; S535-H537 PolarHBondContact OG-N 3.1Å; S535-H537 VanDerWaalsContact OG-N 3.16Å; S535-H537 PolarHBondContact OG-O 2.89Å
538H45.4Very low48.9Very low148 Ų148132.2 Ų132.269%0.68571%0.708SS**  trans-60.5137.716940.1-92000109.9R540H538-R540 PolarHBondContact O-N 3.21Å
539P50.2Low49.6Very low126 Ų126127.9 Ų127.982%0.81869%0.689SS**  trans-60.9113.8179.624.6-33.2000109.5
540R52.1Low50.8Low214 Ų214120.4 Ų120.481%0.80866%0.661SS**  trans-65.1132.7175-71.1-178172.4-177.6-1.8108.5H538 S542H538-R540 PolarHBondContact O-N 3.21Å; R540-S542 PolarHBondContact O-N 3.22Å; R540-S542 VanDerWaalsContact O-N 3.1Å
541P45.7Very low52.1Low89 Ų89120.7 Ų120.758%0.57866%0.657SS**  trans-62.3118.1178.625.2-33.1000109.4G543 F544P541-G543 PolarHBondContact O-N 3.1Å; P541-F544 HydrophobicContact CG-CE1 3.95Å; P541-F544 HydrophobicContact CG-CZ 4.29Å
542S48.8Very low53.5Low138 Ų138119.9 Ų119.997%0.96565%0.648SS**SBendtrans-71.35.317943.90000113.9R540R540-S542 PolarHBondContact O-N 3.22Å; R540-S542 VanDerWaalsContact O-N 3.1Å
543G47.4Very low54.6Low55 Ų55114.3 Ų114.357%0.56762%0.624SS**  trans174.2133.216800000111P541P541-G543 PolarHBondContact O-N 3.1Å
544F49.5Very low55.6Low173 Ų173112.5 Ų112.576%0.75963%0.628SS**  trans-74.1129.8165.5-51-79000108.4P541 V546P541-F544 HydrophobicContact CG-CE1 3.95Å; P541-F544 HydrophobicContact CG-CZ 4.29Å; F544-V546 WeakPolarHBondContact O-CG2 3.37Å; F544-V546 PolarHBondContact O-N 2.81Å
545C49.3Very low56.5Low107 Ų107106.3 Ų106.372%0.72362%0.624SS**  trans-70.196178.6-171.20000110.1F547C545-F547 PolarHBondContact O-N 3.05Å; C545-F547 VanDerWaalsContact SG-CD2 3.52Å
546V52.3Low57Low119 Ų119105.8 Ų105.872%0.72162%0.62SS**  trans-76.643.7-179.5-158.70000112.1F544 S548F544-V546 WeakPolarHBondContact O-CG2 3.37Å; F544-V546 PolarHBondContact O-N 2.81Å; V546-S548 VanDerWaalsContact C-N 3.33Å; V546-S548 PolarHBondContact O-N 3.38Å; V546-S548 VanDerWaalsContact O-N 3.08Å
547F55.9Low58.1Low146 Ų146107 Ų10764%0.6461%0.609SS**  trans-7494.3159.5-91.5-101.9000107.2C545 S549 F559C545-F547 PolarHBondContact O-N 3.05Å; C545-F547 VanDerWaalsContact SG-CD2 3.52Å; F547-S549 PolarHBondContact O-N 3.48Å; F547-F559 HydrophobicContact CB-CD1 4.13Å; F547-F559 HydrophobicContact CB-CE1 4.43Å; F547-F559 HydrophobicContact CD1-CD1 4.06Å
548S57.7Low59.1Low50 Ų50102.8 Ų102.835%0.3559%0.593SS.*  trans-63.873.6-179.5-48.10000111.9V546 R550V546-S548 VanDerWaalsContact C-N 3.33Å; V546-S548 PolarHBondContact O-N 3.38Å; V546-S548 VanDerWaalsContact O-N 3.08Å; S548-R550 PolarHBondContact O-N 2.76Å
549S65.4Low60Low54 Ų54101.1 Ų101.138%0.37858%0.584SS.*  trans-71.4111.7-179.665.30000109.5F547F547-S549 PolarHBondContact O-N 3.48Å
550R64.8Low60.6Low68 Ų6898.2 Ų98.226%0.25756%0.562SS.*EExtended strand (participates in β ladder)trans-97.5126.2176.32.9-177.5-56.9-74-15.5109.2S548 V552 V558 D564 R567S548-R550 PolarHBondContact O-N 2.76Å; R550-V552 PolarHBondContact O-N 2.89Å; R550-V558 WeakPolarHBondContact CG-O 3.42Å; R550-V558 PolarHBondContact N-O 3.36Å; R550-V558 VanDerWaalsContact N-O 3.07Å; R550-V558 PolarHBondContact O-N 3.21Å; R550-D564 IonicContact CZ-OD1 3.34Å; R550-D564 IonicContact NE-OD1 3.62Å; R550-D564 IonicContact NH1-OD1 2.77Å; R550-D564 PolarHBondContact NH1-OD1 3.26Å; R550-R567 VanDerWaalsContact NH1-NH1 3.16Å
551L71.3Confident61.3Low102 Ų10296 Ų9653%0.53455%0.553SS.*EExtended strand (participates in β ladder)trans-69.6123.1172.3-168.672.7000108.8G553 C556 Y557L551-G553 WeakPolarHBondContact CD1-O 3.37Å; L551-G553 WeakPolarHBondContact CG-O 3.45Å; L551-C556 WeakPolarHBondContact CA-O 3.33Å; L551-Y557 HydrophobicContact CB-CD1 4.48Å; L551-Y557 HydrophobicContact CB-CE1 4.26Å; L551-Y557 HydrophobicContact CD1-CD1 4.24Å; L551-Y557 HydrophobicContact CD1-CD2 4.18Å; L551-Y557 HydrophobicContact CD1-CE1 3.89Å; L551-Y557 HydrophobicContact CD1-CE2 3.81Å; L551-Y557 HydrophobicContact CD1-CG 4.39Å
552V73.4Confident62.3Low86 Ų86102 Ų10252%0.52157%0.565SS.*EExtended strand (participates in β ladder)trans-109.6-5.4-179.2-176.90000111.7R550 C556 V558R550-V552 PolarHBondContact O-N 2.89Å; V552-C556 PolarHBondContact N-O 2.96Å; V552-V558 HydrophobicContact CB-CG2 4.12Å; V552-V558 HydrophobicContact CG2-CB 3.85Å; V552-V558 HydrophobicContact CG2-CG2 3.53Å
553G69.3Low63.2Low24 Ų24101.1 Ų101.125%0.24754%0.54CS..EExtended strand (participates in β ladder)trans174.717917600000109.8L551 G555 C556L551-G553 WeakPolarHBondContact CD1-O 3.37Å; L551-G553 WeakPolarHBondContact CG-O 3.45Å; G553-G555 PolarHBondContact O-N 2.81Å; G553-C556 PolarHBondContact O-N 2.73Å
554P73.4Confident64.4Low136 Ų13699.9 Ų99.988%0.88352%0.52SS*.THydrogen-bonded Turntrans-51.3115178.9-26.335.1000112C556P554-C556 PolarHBondContact O-N 3.43Å; P554-C556 VanDerWaalsContact O-N 3.17Å
555G68.9Low65.7Low68 Ų68102.2 Ų102.270%0.70152%0.524SS*.THydrogen-bonded Turntrans70.3-1.7-179.200000116.9G553G553-G555 PolarHBondContact O-N 2.81Å
556C62.7Low66.9Low75 Ų75102.4 Ų102.451%0.50752%0.516SS..EExtended strand (participates in β ladder)trans-99103.9-174.7-64.90000112.3L551 V552 G553 P554L551-C556 WeakPolarHBondContact CA-O 3.33Å; V552-C556 PolarHBondContact N-O 2.96Å; G553-C556 PolarHBondContact O-N 2.73Å; P554-C556 PolarHBondContact O-N 3.43Å; P554-C556 VanDerWaalsContact O-N 3.17Å
557Y69.6Low68.3Low131 Ų131100.7 Ų100.751%0.51450%0.496SS..EExtended strand (participates in β ladder)trans-99.3130175.9-66.9-91.1000111.8L551L551-Y557 HydrophobicContact CB-CD1 4.48Å; L551-Y557 HydrophobicContact CB-CE1 4.26Å; L551-Y557 HydrophobicContact CD1-CD1 4.24Å; L551-Y557 HydrophobicContact CD1-CD2 4.18Å; L551-Y557 HydrophobicContact CD1-CE1 3.89Å; L551-Y557 HydrophobicContact CD1-CE2 3.81Å; L551-Y557 HydrophobicContact CD1-CG 4.39Å
558V67.9Low69.5Low49 Ų4999.2 Ų99.230%0.29749%0.494SS..EExtended strand (participates in β ladder)trans-114.3130.7177178.80000110R550 V552R550-V558 WeakPolarHBondContact CG-O 3.42Å; R550-V558 PolarHBondContact N-O 3.36Å; R550-V558 VanDerWaalsContact N-O 3.07Å; R550-V558 PolarHBondContact O-N 3.21Å; V552-V558 HydrophobicContact CB-CG2 4.12Å; V552-V558 HydrophobicContact CG2-CB 3.85Å; V552-V558 HydrophobicContact CG2-CG2 3.53Å
559F64.2Low70.8Confident114 Ų11499.2 Ų99.250%0.550%0.497SS..  trans-110.1-8-172-59.9-94.8000113.9F547 R561F547-F559 HydrophobicContact CB-CD1 4.13Å; F547-F559 HydrophobicContact CB-CE1 4.43Å; F547-F559 HydrophobicContact CD1-CD1 4.06Å; F559-R561 PolarHBondContact O-N 3.17Å
560D62.8Low71.8Confident65 Ų65101.4 Ų101.435%0.34850%0.504SS..  trans-84.899.3-173.9-170.12000112.9R562D560-R562 PolarHBondContact O-N 2.97Å; D560-R562 WeakPolarHBondContact OD1-CB 3.36Å; D560-R562 VanDerWaalsContact OD1-CG 3.27Å; D560-R562 WeakPolarHBondContact OD1-CG 3.41Å; D560-R562 PolarHBondContact OD1-N 3.27Å
561R66.4Low72.9Confident167 Ų167103.7 Ų103.763%0.6352%0.518SS*.G310 helixtrans-68.9-16.6176.1-60.6-179.281.6179.75.4113.6F559 W563 D564F559-R561 PolarHBondContact O-N 3.17Å; R561-W563 VanDerWaalsContact C-N 3.25Å; R561-W563 PolarHBondContact O-N 3.42Å; R561-D564 WeakPolarHBondContact CA-OD2 3.22Å; R561-D564 PolarHBondContact O-N 3.17Å; R561-D564 VanDerWaalsContact O-N 3.16Å
562R67.1Low73.5Confident216 Ų216100.8 Ų100.882%0.81551%0.506SS*.G310 helixtrans-62.9-33.5-176.1-63.8177.8174-144.6-2.9112.3D560D560-R562 PolarHBondContact O-N 2.97Å; D560-R562 WeakPolarHBondContact OD1-CB 3.36Å; D560-R562 VanDerWaalsContact OD1-CG 3.27Å; D560-R562 WeakPolarHBondContact OD1-CG 3.41Å; D560-R562 PolarHBondContact OD1-N 3.27Å
563W68.5Low74.3Confident119 Ų119102.9 Ų102.945%0.45151%0.512SS..G310 helixtrans-95.5-2.3178.6-59.8102.8000114L232 R561 R565 M566 R567L232-W563 HydrophobicContact CD1-CH2 4.27Å; R561-W563 VanDerWaalsContact C-N 3.25Å; R561-W563 PolarHBondContact O-N 3.42Å; W563-R565 PolarHBondContact O-N 3.16Å; W563-M566 HydrophobicContact CE3-CB 4.27Å; W563-M566 HydrophobicContact CE3-CE 3.96Å; W563-M566 HydrophobicContact CE3-SD 3.61Å; W563-M566 HydrophobicContact CZ3-CE 4.07Å; W563-M566 HydrophobicContact CZ3-SD 3.55Å; W563-M566 VanDerWaalsContact CZ3-SD 3.55Å; W563-M566 PolarHBondContact O-N 3.47Å; W563-R567 WeakPolarHBondContact O-CB 3.35Å; W563-R567 PolarHBondContact O-N 3.33Å
564D72.8Confident75.3Confident29 Ų29105.4 Ų105.416%0.15552%0.522CS..Hα-helixtrans-64.2-41.4-177.5-74-13.2000112R550 R561 M566 R567 L568R550-D564 IonicContact CZ-OD1 3.34Å; R550-D564 IonicContact NE-OD1 3.62Å; R550-D564 IonicContact NH1-OD1 2.77Å; R550-D564 PolarHBondContact NH1-OD1 3.26Å; R561-D564 WeakPolarHBondContact CA-OD2 3.22Å; R561-D564 PolarHBondContact O-N 3.17Å; R561-D564 VanDerWaalsContact O-N 3.16Å; D564-M566 PolarHBondContact O-N 3.48Å; D564-R567 PolarHBondContact O-N 3.06Å; D564-R567 IonicContact OD1-CZ 2.87Å; D564-R567 IonicContact OD1-NH1 2.82Å; D564-R567 PolarHBondContact OD1-NH1 2.95Å; D564-R567 IonicContact OD1-NH2 3.2Å; D564-L568 WeakPolarHBondContact O-CB 3.42Å; D564-L568 VanDerWaalsContact O-CG 3.3Å; D564-L568 WeakPolarHBondContact O-CG 3.5Å; D564-L568 PolarHBondContact O-N 3.42Å
565R75.8Confident76Confident222 Ų222104.1 Ų104.184%0.83850%0.504SS*.Hα-helixtrans-61.7-42.6174.2-68.2-178.1178.6174-1.2112.2W563 A569W563-R565 PolarHBondContact O-N 3.16Å; R565-A569 WeakPolarHBondContact O-CB 3.43Å; R565-A569 PolarHBondContact O-N 3.23Å
566M75.2Confident76.6Confident110 Ų110107.5 Ų107.554%0.54250%0.5SS..Hα-helixtrans-67.4-39.8176.7-173.8177111.500111.7W563 D564 A569 L570W563-M566 HydrophobicContact CE3-CB 4.27Å; W563-M566 HydrophobicContact CE3-CE 3.96Å; W563-M566 HydrophobicContact CE3-SD 3.61Å; W563-M566 HydrophobicContact CZ3-CE 4.07Å; W563-M566 HydrophobicContact CZ3-SD 3.55Å; W563-M566 VanDerWaalsContact CZ3-SD 3.55Å; W563-M566 PolarHBondContact O-N 3.47Å; D564-M566 PolarHBondContact O-N 3.48Å; M566-A569 PolarHBondContact O-N 3.49Å; M566-L570 WeakPolarHBondContact O-CB 3.36Å; M566-L570 PolarHBondContact O-N 3.35Å
567R81.3Confident77.4Confident83 Ų83108.9 Ų108.931%0.31350%0.499SS..Hα-helixtrans-69.7-39.6179.8-160.2-176.2-52.292.2-1.9111.8R550 W563 D564 L570 Q571R550-R567 VanDerWaalsContact NH1-NH1 3.16Å; W563-R567 WeakPolarHBondContact O-CB 3.35Å; W563-R567 PolarHBondContact O-N 3.33Å; D564-R567 PolarHBondContact O-N 3.06Å; D564-R567 IonicContact OD1-CZ 2.87Å; D564-R567 IonicContact OD1-NH1 2.82Å; D564-R567 PolarHBondContact OD1-NH1 2.95Å; D564-R567 IonicContact OD1-NH2 3.2Å; R567-L570 PolarHBondContact O-N 2.83Å; R567-Q571 WeakPolarHBondContact O-CB 3.45Å; R567-Q571 PolarHBondContact O-N 3.41Å
568L81.3Confident78Confident115 Ų115106.8 Ų106.860%0.60250%0.496SS*.Hα-helixtrans-64.1-40.9172.4-72.6169.4000111.5D564 S572D564-L568 WeakPolarHBondContact O-CB 3.42Å; D564-L568 VanDerWaalsContact O-CG 3.3Å; D564-L568 WeakPolarHBondContact O-CG 3.5Å; D564-L568 PolarHBondContact O-N 3.42Å; L568-S572 VanDerWaalsContact O-CB 3.29Å; L568-S572 WeakPolarHBondContact O-CB 3.42Å; L568-S572 PolarHBondContact O-N 2.89Å
569A84.5Confident78.3Confident50 Ų50108 Ų10841%0.41350%0.501SS..Hα-helixtrans-62.7-48.2173.600000111.8R565 M566 S572 M573R565-A569 WeakPolarHBondContact O-CB 3.43Å; R565-A569 PolarHBondContact O-N 3.23Å; M566-A569 PolarHBondContact O-N 3.49Å; A569-S572 PolarHBondContact O-N 3.32Å; A569-M573 WeakPolarHBondContact O-CB 3.36Å; A569-M573 VanDerWaalsContact O-CG 3.26Å; A569-M573 WeakPolarHBondContact O-CG 3.37Å; A569-M573 PolarHBondContact O-N 3.42Å
570L86.3Confident78.5Confident100 Ų100104.7 Ų104.752%0.52449%0.494SS..Hα-helixtrans-61.1-46.1177-170.298000111.6M566 R567 M573 V574M566-L570 WeakPolarHBondContact O-CB 3.36Å; M566-L570 PolarHBondContact O-N 3.35Å; R567-L570 PolarHBondContact O-N 2.83Å; L570-M573 PolarHBondContact O-N 3.23Å; L570-V574 WeakPolarHBondContact O-CB 3.37Å; L570-V574 WeakPolarHBondContact O-CG2 3.46Å; L570-V574 PolarHBondContact O-N 2.95Å
571Q87.8Confident78.3Confident117 Ų117105.1 Ų105.155%0.54749%0.494SS..Hα-helixtrans-60.7-47.1177.2-177.3174.1-6.400110.6R567 M573 V574 E575R567-Q571 WeakPolarHBondContact O-CB 3.45Å; R567-Q571 PolarHBondContact O-N 3.41Å; Q571-M573 VanDerWaalsContact C-N 3.32Å; Q571-M573 PolarHBondContact O-N 3.28Å; Q571-V574 PolarHBondContact O-N 3.49Å; Q571-E575 WeakPolarHBondContact O-CB 3.5Å; Q571-E575 PolarHBondContact O-N 3.43Å
572S85Confident77.6Confident41 Ų41102.7 Ų102.729%0.28749%0.492SS..Hα-helixtrans-62.4-37175.1-170.40000112.5L568 A569 K576L568-S572 VanDerWaalsContact O-CB 3.29Å; L568-S572 WeakPolarHBondContact O-CB 3.42Å; L568-S572 PolarHBondContact O-N 2.89Å; A569-S572 PolarHBondContact O-N 3.32Å; S572-K576 VanDerWaalsContact O-CB 3.24Å; S572-K576 WeakPolarHBondContact O-CB 3.29Å; S572-K576 VanDerWaalsContact O-CD 3.31Å; S572-K576 WeakPolarHBondContact O-CD 3.45Å; S572-K576 WeakPolarHBondContact O-CG 3.32Å; S572-K576 PolarHBondContact O-N 3Å; S572-K576 WeakPolarHBondContact OG-CE 3.32Å; S572-K576 PolarHBondContact OG-NZ 2.88Å
573M89.5Confident76.8Confident130 Ų130101.4 Ų101.464%0.6449%0.487SS*.Hα-helixtrans-67.3-45.9175.5-75.5173.565.200112.1A569 L570 Q571 K576 H577A569-M573 WeakPolarHBondContact O-CB 3.36Å; A569-M573 VanDerWaalsContact O-CG 3.26Å; A569-M573 WeakPolarHBondContact O-CG 3.37Å; A569-M573 PolarHBondContact O-N 3.42Å; L570-M573 PolarHBondContact O-N 3.23Å; Q571-M573 VanDerWaalsContact C-N 3.32Å; Q571-M573 PolarHBondContact O-N 3.28Å; M573-K576 PolarHBondContact O-N 2.95Å; M573-H577 VanDerWaalsContact O-CB 3.32Å; M573-H577 WeakPolarHBondContact O-CB 3.48Å; M573-H577 PolarHBondContact O-N 3.23Å
574V90.6Very high76Confident76 Ų76103.3 Ų103.346%0.46149%0.494SS..Hα-helixtrans-64.2-45.2177170.20000110.4L570 Q571 H577 L578L570-V574 WeakPolarHBondContact O-CB 3.37Å; L570-V574 WeakPolarHBondContact O-CG2 3.46Å; L570-V574 PolarHBondContact O-N 2.95Å; Q571-V574 PolarHBondContact O-N 3.49Å; V574-H577 PolarHBondContact O-N 3.3Å; V574-L578 HydrophobicContact CG1-CD1 3.83Å; V574-L578 HydrophobicContact CG1-CG 4.26Å; V574-L578 WeakPolarHBondContact O-CB 3.3Å; V574-L578 WeakPolarHBondContact O-CG 3.36Å; V574-L578 PolarHBondContact O-N 3.31Å
575E87.6Confident74.8Confident109 Ų109109.9 Ų109.951%0.50952%0.517SS..Hα-helixtrans-63.7-42.1177.4-177173.3-156.600112Q571 H577 N579Q571-E575 WeakPolarHBondContact O-CB 3.5Å; Q571-E575 PolarHBondContact O-N 3.43Å; E575-H577 VanDerWaalsContact C-N 3.34Å; E575-N579 VanDerWaalsContact O-CB 3.27Å; E575-N579 WeakPolarHBondContact O-CB 3.43Å; E575-N579 PolarHBondContact O-N 3.42Å; E575-N579 PolarHBondContact O-ND2 2.96Å
576K82.1Confident73.4Confident139 Ų139103.5 Ų103.560%0.60450%0.502SS*.Hα-helixtrans-63.1-39.8171.7-77164.5-179.2152.30111.9S572 M573 A580S572-K576 VanDerWaalsContact O-CB 3.24Å; S572-K576 WeakPolarHBondContact O-CB 3.29Å; S572-K576 VanDerWaalsContact O-CD 3.31Å; S572-K576 WeakPolarHBondContact O-CD 3.45Å; S572-K576 WeakPolarHBondContact O-CG 3.32Å; S572-K576 PolarHBondContact O-N 3Å; S572-K576 WeakPolarHBondContact OG-CE 3.32Å; S572-K576 PolarHBondContact OG-NZ 2.88Å; M573-K576 PolarHBondContact O-N 2.95Å; K576-A580 VanDerWaalsContact O-CB 3.22Å; K576-A580 WeakPolarHBondContact O-CB 3.28Å; K576-A580 PolarHBondContact O-N 3.46Å
577H80.1Confident71.8Confident104 Ų104103.1 Ų103.148%0.48151%0.509SS..Hα-helixtrans-68.7-45.5179.2-166.786.6000111.9M573 V574 E575 A580 Q581M573-H577 VanDerWaalsContact O-CB 3.32Å; M573-H577 WeakPolarHBondContact O-CB 3.48Å; M573-H577 PolarHBondContact O-N 3.23Å; V574-H577 PolarHBondContact O-N 3.3Å; E575-H577 VanDerWaalsContact C-N 3.34Å; H577-A580 PolarHBondContact O-N 2.84Å; H577-Q581 PolarHBondContact CD2-NE2 3.46Å; H577-Q581 VanDerWaalsContact CD2-NE2 3.33Å; H577-Q581 PolarHBondContact NE2-NE2 2.93Å; H577-Q581 WeakPolarHBondContact O-CG 3.21Å; H577-Q581 PolarHBondContact O-N 2.93Å
578L80.6Confident70.1Confident87 Ų87103.7 Ų103.746%0.45552%0.522SS..Hα-helixtrans-62.1-47.5175.1-71.9173.9000110.8V574 A580 Q581 M582V574-L578 HydrophobicContact CG1-CD1 3.83Å; V574-L578 HydrophobicContact CG1-CG 4.26Å; V574-L578 WeakPolarHBondContact O-CB 3.3Å; V574-L578 WeakPolarHBondContact O-CG 3.36Å; V574-L578 PolarHBondContact O-N 3.31Å; L578-A580 PolarHBondContact O-N 2.87Å; L578-Q581 CarbonylContact O-C 3.58Å; L578-Q581 WeakPolarHBondContact O-CB 3.25Å; L578-Q581 PolarHBondContact O-N 3.36Å; L578-Q581 VanDerWaalsContact O-N 3.08Å; L578-M582 WeakPolarHBondContact O-CG 3.49Å; L578-M582 PolarHBondContact O-N 2.87Å
579N74.1Confident68.1Low75 Ų75104.4 Ų104.440%0.40153%0.526SS..Hα-helixtrans-57.9-48.1173.6-81.7-64.7000111.3E575 Q581 M582 W583E575-N579 VanDerWaalsContact O-CB 3.27Å; E575-N579 WeakPolarHBondContact O-CB 3.43Å; E575-N579 PolarHBondContact O-N 3.42Å; E575-N579 PolarHBondContact O-ND2 2.96Å; N579-Q581 PolarHBondContact O-N 2.8Å; N579-M582 WeakPolarHBondContact O-CA 3.37Å; N579-M582 WeakPolarHBondContact O-CB 3.44Å; N579-M582 PolarHBondContact O-N 3.15Å; N579-W583 PolarHBondContact O-N 3.16Å
580A69.5Low66Low44 Ų44110.4 Ų110.436%0.36454%0.543SS..Hα-helixtrans-62.7-21.9176.600000114.2K576 H577 L578 R584K576-A580 VanDerWaalsContact O-CB 3.22Å; K576-A580 WeakPolarHBondContact O-CB 3.28Å; K576-A580 PolarHBondContact O-N 3.46Å; H577-A580 PolarHBondContact O-N 2.84Å; L578-A580 PolarHBondContact O-N 2.87Å; A580-R584 PolarHBondContact O-NE 3.09Å; A580-R584 VanDerWaalsContact O-NE 3.09Å
581Q58Low63.8Low74 Ų74115.6 Ų115.635%0.34656%0.558SS.*Hα-helixtrans-80.6-38.3167.1-70.1-168.613.800112.3H577 L578 N579 R584 R585H577-Q581 PolarHBondContact CD2-NE2 3.46Å; H577-Q581 VanDerWaalsContact CD2-NE2 3.33Å; H577-Q581 PolarHBondContact NE2-NE2 2.93Å; H577-Q581 WeakPolarHBondContact O-CG 3.21Å; H577-Q581 PolarHBondContact O-N 2.93Å; L578-Q581 CarbonylContact O-C 3.58Å; L578-Q581 WeakPolarHBondContact O-CB 3.25Å; L578-Q581 PolarHBondContact O-N 3.36Å; L578-Q581 VanDerWaalsContact O-N 3.08Å; N579-Q581 PolarHBondContact O-N 2.8Å; Q581-R584 PolarHBondContact O-N 3.07Å; Q581-R584 VanDerWaalsContact O-N 3.16Å; Q581-R585 PolarHBondContact O-N 2.89Å
582M52.8Low61.3Low117 Ų117116.7 Ų116.758%0.57657%0.567SS**Hα-helixtrans-59.6-47.9174.8-61.7-90.9-170.100111.1L578 N579 R584 R585 V586L578-M582 WeakPolarHBondContact O-CG 3.49Å; L578-M582 PolarHBondContact O-N 2.87Å; N579-M582 WeakPolarHBondContact O-CA 3.37Å; N579-M582 WeakPolarHBondContact O-CB 3.44Å; N579-M582 PolarHBondContact O-N 3.15Å; M582-R584 PolarHBondContact O-N 2.87Å; M582-R585 PolarHBondContact O-N 3.34Å; M582-V586 WeakPolarHBondContact O-CG2 3.33Å; M582-V586 PolarHBondContact O-N 3.4Å
583W49.2Very low59.2Low188 Ų188120.3 Ų120.371%0.71259%0.59SS**Hα-helixtrans-60.9-29176.1-65.7105.1000112.7N579 C587N579-W583 PolarHBondContact O-N 3.16Å; W583-C587 PolarHBondContact O-N 2.88Å; W583-C587 PolarHBondContact O-SG 2.68Å
584R52.4Low56.8Low160 Ų160121.6 Ų121.660%0.60460%0.598SS**Hα-helixtrans-75.6-34.4172.4-79.1-176.9-75.5-161.93.4113.2A580 Q581 M582 C587 T588A580-R584 PolarHBondContact O-NE 3.09Å; A580-R584 VanDerWaalsContact O-NE 3.09Å; Q581-R584 PolarHBondContact O-N 3.07Å; Q581-R584 VanDerWaalsContact O-N 3.16Å; M582-R584 PolarHBondContact O-N 2.87Å; R584-C587 PolarHBondContact O-N 3.45Å; R584-T588 PolarHBondContact O-N 2.88Å; R584-T588 PolarHBondContact O-OG1 3.15Å
585R46.7Very low54.2Low167 Ų167126.2 Ų126.263%0.6362%0.619SS**Hα-helixtrans-71.1-34.5173.6-70.8-175.3-179.4-175.80.2113Q581 M582 C587 T588 N589Q581-R585 PolarHBondContact O-N 2.89Å; M582-R585 PolarHBondContact O-N 3.34Å; R585-C587 VanDerWaalsContact C-N 3.28Å; R585-C587 PolarHBondContact O-N 3.48Å; R585-T588 WeakPolarHBondContact CA-OG1 3.34Å; R585-T588 PolarHBondContact O-N 2.81Å; R585-T588 PolarHBondContact O-OG1 3.37Å; R585-N589 PolarHBondContact O-N 2.86Å; R585-N589 VanDerWaalsContact O-N 3.14Å; R585-N589 PolarHBondContact O-OD1 2.85Å
586V47.7Very low51.8Low88 Ų88129.9 Ų129.953%0.53364%0.636SS.*Hα-helixtrans-66-31.7174.6174.30000111.7M582M582-V586 WeakPolarHBondContact O-CG2 3.33Å; M582-V586 PolarHBondContact O-N 3.4Å
587C41.1Very low49.8Very low102 Ų102129 Ų12969%0.68965%0.645SS**Hα-helixtrans-79.8-22175.1-68.20000114.5W583 R584 R585W583-C587 PolarHBondContact O-N 2.88Å; W583-C587 PolarHBondContact O-SG 2.68Å; R584-C587 PolarHBondContact O-N 3.45Å; R585-C587 VanDerWaalsContact C-N 3.28Å; R585-C587 PolarHBondContact O-N 3.48Å
588T44.6Very low47.6Very low94 Ų94133.1 Ų133.158%0.57766%0.664SS**Hα-helixtrans-85-29.5175.448.50000113R584 R585 F590R584-T588 PolarHBondContact O-N 2.88Å; R584-T588 PolarHBondContact O-OG1 3.15Å; R585-T588 WeakPolarHBondContact CA-OG1 3.34Å; R585-T588 PolarHBondContact O-N 2.81Å; R585-T588 PolarHBondContact O-OG1 3.37Å; T588-F590 PolarHBondContact O-N 2.74Å
589N39.2Very low45.4Very low130 Ų130134.7 Ų134.770%0.69568%0.683SS**THydrogen-bonded Turntrans-85.822.3-178.5-63.410.4000113.6R585R585-N589 PolarHBondContact O-N 2.86Å; R585-N589 VanDerWaalsContact O-N 3.14Å; R585-N589 PolarHBondContact O-OD1 2.85Å
590F41.1Very low43.7Very low176 Ų176138.7 Ų138.777%0.77270%0.704SS**THydrogen-bonded Turntrans-119.310.5175.8-113.6-76.5000113.4T588T588-F590 PolarHBondContact O-N 2.74Å
591Y40.8Very low42Very low210 Ų210142.7 Ų142.782%0.82472%0.724SS**  trans-130.492.5166.3-100.4-91.6000108.6
592D34Very low41.1Very low140 Ų140148.3 Ų148.375%0.74975%0.747SS**  trans-132.991.5171.5-154.12.3000107.7L594D592-L594 PolarHBondContact O-N 3.46Å
593P42Very low40.1Very low117 Ų117149.1 Ų149.176%0.7675%0.752SS**  trans-91.184.2178.134.3-29.6000110L595P593-L595 PolarHBondContact O-N 2.87Å
594L38.8Very low39.5Very low157 Ų157147.8 Ų147.882%0.82275%0.754SS**  trans-85.697.1161.9-78.9175000109.9D592D592-L594 PolarHBondContact O-N 3.46Å
595L36.6Very low38.6Very low172 Ų172146.5 Ų146.590%0.90176%0.764SS**  trans-148.5136.6147.8-98.9175.2000108.2P593P593-L595 PolarHBondContact O-N 2.87Å
596E35.5Very low38.1Very low186 Ų186145.3 Ų145.387%0.86977%0.768SS**  trans-76.4157.8-166.5-61.4-163.9135.300114.1
597P41.1Very low37.7Very low122 Ų122144.6 Ų144.679%0.79278%0.779SS**  trans-93.5112.6171.234.6-27.6000111.5
598E33.3Very low37.7Very low189 Ų189150 Ų15088%0.88381%0.809SS**  trans-139.7152.4153.6-86.3-140.5146.400112
599S34.9Very low37.4Very low121 Ų121152.9 Ų152.985%0.84682%0.82SS**  trans74.4122.4177.470.70000118.4
600D38.9Very low37.3Very low158 Ų158154.1 Ų154.185%0.84583%0.827SS**  trans-61.2135.1176.1-59.9-89.5000114.1
601V32.5Very low37.1Very low128 Ų128152.8 Ų152.878%0.77683%0.83SS**  trans-136.8114.3138.6-170.70000109.5I603V601-I603 HydrophobicContact CG1-CD1 4.2Å; V601-I603 HydrophobicContact CG1-CG1 4Å
602K39.2Very low36.9Very low192 Ų192149.5 Ų149.584%0.83583%0.83SS**  trans-87111.2178.2-172.5-179.5-175.6-178.30109.4
603I33.1Very low37Very low134 Ų134150.1 Ų150.169%0.68784%0.835SS**  trans-130.2105.2169.2-54.1-176.8000109V601 V605V601-I603 HydrophobicContact CG1-CD1 4.2Å; V601-I603 HydrophobicContact CG1-CG1 4Å; I603-V605 HydrophobicContact CG2-CG2 4.14Å
604E36.1Very low36.7Very low161 Ų161152.3 Ų152.375%0.75284%0.84SS**  trans-67.4132159.8-73.8173.610400109.1
605V33.8Very low36.6Very low133 Ų133151.9 Ų151.981%0.80684%0.842SS**  trans-125.5112.4151.9-177.90000107.6I603I603-V605 HydrophobicContact CG2-CG2 4.14Å
606I35Very low36.6Very low141 Ų141150.4 Ų150.472%0.72384%0.837SS**  trans-65.2139.2178.5-66159000109
607G40.8Very low36.6Very low73 Ų73147.4 Ų147.475%0.75383%0.834SS**  trans-73.8139.9176.300000112.9
608V41Very low36.2Very low217 Ų217149.7 Ų149.7100%1.31584%0.838SS**  trans-135.10157-177.60000107

Retrieved 608 of 608 residues in 69.8 ms (Link to these results)