A0A3Q0KQ31_SCHMA Loading...

17S U2 SnRNP complex component HTATSF1

AlphaFold DB (A0A5K4ES79), UniProt , Accession A0A3Q0KQ31, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 576 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
1M55Low72.2Confident197 Ų197125.5 Ų125.597%0.9762%0.621SS**  0-500-72.8-172.7176.700112.4D3 D4M1-D3 PolarHBondContact O-N 3.03Å; M1-D4 VanDerWaalsContact C-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.31Å; M1-D4 PolarHBondContact N-OD2 3.32Å
2S56.1Low72.7Confident88 Ų88120.8 Ų120.862%0.61560%0.599SS**THydrogen-bonded Turntrans-74.5-11.2177.4-44.90000114.6R6S2-R6 PolarHBondContact O-NE 3.21Å; S2-R6 PolarHBondContact O-NH2 3.26Å
3D61.2Low73Confident98 Ų98126.2 Ų126.252%0.52461%0.609SS.*THydrogen-bonded Turntrans-100.5-40.8-178.7-53.1-66000110.7M1 L5 R6 D7M1-D3 PolarHBondContact O-N 3.03Å; D3-L5 PolarHBondContact O-N 3.09Å; D3-L5 VanDerWaalsContact O-N 3.14Å; D3-R6 WeakPolarHBondContact O-CA 3.46Å; D3-R6 PolarHBondContact O-N 2.95Å; D3-R6 IonicContact OD1-CZ 3.5Å; D3-R6 IonicContact OD1-NH2 2.8Å; D3-R6 PolarHBondContact OD1-NH2 2.99Å; D3-D7 PolarHBondContact O-N 3.39Å
4D70.9Confident72.9Confident108 Ų108124.1 Ų124.158%0.57860%0.601SS**Hα-helixtrans-56.1-33.3175.9-37.7-105.2000112.3M1 F8M1-D4 VanDerWaalsContact C-OD2 3.31Å; M1-D4 WeakPolarHBondContact CA-OD2 3.31Å; M1-D4 PolarHBondContact N-OD2 3.32Å; D4-F8 WeakPolarHBondContact O-CB 3.31Å; D4-F8 PolarHBondContact O-N 2.8Å; D4-F8 VanDerWaalsContact O-N 3.15Å
5L78.2Confident72.3Confident121 Ų121124.4 Ų124.463%0.63460%0.601SS**Hα-helixtrans-72.6-29.3176.6-140.176.5000112.7D3 E9D3-L5 PolarHBondContact O-N 3.09Å; D3-L5 VanDerWaalsContact O-N 3.14Å; L5-E9 WeakPolarHBondContact O-CG 3.3Å; L5-E9 PolarHBondContact O-N 2.84Å
6R78.3Confident72Confident136 Ų136123.8 Ų123.851%0.51360%0.602SS.*Hα-helixtrans-82-40.1178.8-79.9179.6-79.8161.40111.7S2 D3 F8 E9 E10S2-R6 PolarHBondContact O-NE 3.21Å; S2-R6 PolarHBondContact O-NH2 3.26Å; D3-R6 WeakPolarHBondContact O-CA 3.46Å; D3-R6 PolarHBondContact O-N 2.95Å; D3-R6 IonicContact OD1-CZ 3.5Å; D3-R6 IonicContact OD1-NH2 2.8Å; D3-R6 PolarHBondContact OD1-NH2 2.99Å; R6-F8 PolarHBondContact O-N 3Å; R6-E9 PolarHBondContact O-N 3.47Å; R6-E10 WeakPolarHBondContact O-CB 3.42Å; R6-E10 PolarHBondContact O-N 3.34Å
7D78.1Confident71Confident120 Ų120121.1 Ų121.164%0.64260%0.598SS**Hα-helixtrans-57.3-40.8168-85.316.1000110.6D3 E10 Q11D3-D7 PolarHBondContact O-N 3.39Å; D7-E10 PolarHBondContact O-N 3.01Å; D7-Q11 WeakPolarHBondContact O-CB 3.44Å; D7-Q11 PolarHBondContact O-N 3.35Å
8F79Confident69.5Low123 Ų123122.4 Ų122.454%0.53960%0.603SS.*Hα-helixtrans-67.8-42.3176.9-170.6-100.6000113.3D4 R6 Q11 I12D4-F8 WeakPolarHBondContact O-CB 3.31Å; D4-F8 PolarHBondContact O-N 2.8Å; D4-F8 VanDerWaalsContact O-N 3.15Å; R6-F8 PolarHBondContact O-N 3Å; F8-Q11 PolarHBondContact O-N 2.87Å; F8-I12 HydrophobicContact CD1-CD1 4.03Å; F8-I12 HydrophobicContact CE1-CD1 3.43Å; F8-I12 VanDerWaalsContact CE1-CD1 3.43Å; F8-I12 HydrophobicContact CE1-CG1 4.35Å; F8-I12 HydrophobicContact CZ-CD1 3.79Å; F8-I12 HydrophobicContact CZ-CG1 4.49Å; F8-I12 PolarHBondContact O-N 3.07Å
9E81.4Confident68.1Low133 Ų133121.5 Ų121.562%0.62161%0.605SS**Hα-helixtrans-63.7-43.3172.9-79.4-170.2148.500112.1L5 R6 Q11 I12 R13L5-E9 WeakPolarHBondContact O-CG 3.3Å; L5-E9 PolarHBondContact O-N 2.84Å; R6-E9 PolarHBondContact O-N 3.47Å; E9-Q11 VanDerWaalsContact C-N 3.34Å; E9-I12 PolarHBondContact O-N 3.08Å; E9-R13 VanDerWaalsContact O-CB 3.26Å; E9-R13 WeakPolarHBondContact O-CB 3.3Å; E9-R13 PolarHBondContact O-N 3.3Å
10E78.8Confident66.9Low124 Ų124120.5 Ų120.558%0.57961%0.605SS**Hα-helixtrans-65.8-35.9174.8-72.7-161.1177.500111.9R6 D7 R13 L14R6-E10 WeakPolarHBondContact O-CB 3.42Å; R6-E10 PolarHBondContact O-N 3.34Å; D7-E10 PolarHBondContact O-N 3.01Å; E10-R13 CarbonylContact O-C 3.56Å; E10-R13 WeakPolarHBondContact O-CB 3.5Å; E10-R13 PolarHBondContact O-N 2.84Å; E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 VanDerWaalsContact O-CD1 3.24Å; E10-L14 WeakPolarHBondContact O-CD1 3.44Å; E10-L14 PolarHBondContact O-N 3.31Å
11Q77.8Confident65.7Low132 Ų132122.3 Ų122.362%0.61762%0.617SS**Hα-helixtrans-67.8-41.8176.8-168.2167.620.700112.2D7 F8 E9 R13 L14 Q15D7-Q11 WeakPolarHBondContact O-CB 3.44Å; D7-Q11 PolarHBondContact O-N 3.35Å; F8-Q11 PolarHBondContact O-N 2.87Å; E9-Q11 VanDerWaalsContact C-N 3.34Å; Q11-R13 VanDerWaalsContact C-N 3.31Å; Q11-R13 PolarHBondContact O-N 3.15Å; Q11-L14 PolarHBondContact O-N 2.72Å; Q11-Q15 WeakPolarHBondContact O-CB 3.44Å; Q11-Q15 PolarHBondContact O-N 2.71Å
12I78Confident65.6Low70 Ų70118 Ų11836%0.35960%0.601SS.*Hα-helixtrans-63.5-38.6170.6-73.8-179.6000110.9F8 E9 Q15 N16F8-I12 HydrophobicContact CD1-CD1 4.03Å; F8-I12 HydrophobicContact CE1-CD1 3.43Å; F8-I12 VanDerWaalsContact CE1-CD1 3.43Å; F8-I12 HydrophobicContact CE1-CG1 4.35Å; F8-I12 HydrophobicContact CZ-CD1 3.79Å; F8-I12 HydrophobicContact CZ-CG1 4.49Å; F8-I12 PolarHBondContact O-N 3.07Å; E9-I12 PolarHBondContact O-N 3.08Å; I12-Q15 PolarHBondContact O-N 3.06Å; I12-N16 WeakPolarHBondContact O-CB 3.36Å; I12-N16 PolarHBondContact O-N 3.35Å
13R76Confident65.7Low191 Ų191122.4 Ų122.472%0.72161%0.612SS**Hα-helixtrans-67.2-39.3177.9-160.1177.4-160.2161.55.5112.2E9 E10 Q11 S17E9-R13 VanDerWaalsContact O-CB 3.26Å; E9-R13 WeakPolarHBondContact O-CB 3.3Å; E9-R13 PolarHBondContact O-N 3.3Å; E10-R13 CarbonylContact O-C 3.56Å; E10-R13 WeakPolarHBondContact O-CB 3.5Å; E10-R13 PolarHBondContact O-N 2.84Å; Q11-R13 VanDerWaalsContact C-N 3.31Å; Q11-R13 PolarHBondContact O-N 3.15Å; R13-S17 WeakPolarHBondContact O-CB 3.46Å; R13-S17 PolarHBondContact O-N 3.08Å
14L72.2Confident66.1Low97 Ų97120.4 Ų120.451%0.50860%0.604SS.*Hα-helixtrans-62.9-46.7170.6-100.278.4000110.4E10 Q11 N16 S17 Q18E10-L14 WeakPolarHBondContact O-CB 3.5Å; E10-L14 VanDerWaalsContact O-CD1 3.24Å; E10-L14 WeakPolarHBondContact O-CD1 3.44Å; E10-L14 PolarHBondContact O-N 3.31Å; Q11-L14 PolarHBondContact O-N 2.72Å; L14-N16 PolarHBondContact O-N 3.45Å; L14-S17 WeakPolarHBondContact CA-OG 3.5Å; L14-S17 CarbonylContact O-C 3.47Å; L14-S17 WeakPolarHBondContact O-CA 3.5Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 3.09Å; L14-Q18 WeakPolarHBondContact O-CB 3.37Å; L14-Q18 WeakPolarHBondContact O-CG 3.37Å; L14-Q18 PolarHBondContact O-N 2.61Å
15Q63.6Low66.7Low128 Ų128120.6 Ų120.660%0.59860%0.599SS**Hα-helixtrans-61.3-44.1-179.4-164.5168.415.200111.7Q11 I12 S17 Q18 T19Q11-Q15 WeakPolarHBondContact O-CB 3.44Å; Q11-Q15 PolarHBondContact O-N 2.71Å; I12-Q15 PolarHBondContact O-N 3.06Å; Q15-S17 PolarHBondContact O-N 3.27Å; Q15-Q18 CarbonylContact O-C 3.54Å; Q15-Q18 PolarHBondContact O-N 2.84Å; Q15-Q18 VanDerWaalsContact O-N 3.1Å; Q15-T19 PolarHBondContact O-N 2.86Å
16N68Low67.1Low115 Ų115118.9 Ų118.962%0.61559%0.594SS**Hα-helixtrans-69.7-16.2173.5-70.6-13.6000114I12 L14 T19I12-N16 WeakPolarHBondContact O-CB 3.36Å; I12-N16 PolarHBondContact O-N 3.35Å; L14-N16 PolarHBondContact O-N 3.45Å; N16-T19 VanDerWaalsContact C-OG1 3.28Å; N16-T19 PolarHBondContact O-OG1 3.35Å
17S54.1Low67.5Low77 Ų77118.4 Ų118.454%0.53859%0.592SS.*Hα-helixtrans-90.4-20.4168.877.90000113.3R13 L14 Q15R13-S17 WeakPolarHBondContact O-CB 3.46Å; R13-S17 PolarHBondContact O-N 3.08Å; L14-S17 WeakPolarHBondContact CA-OG 3.5Å; L14-S17 CarbonylContact O-C 3.47Å; L14-S17 WeakPolarHBondContact O-CA 3.5Å; L14-S17 PolarHBondContact O-N 3.19Å; L14-S17 PolarHBondContact O-OG 3.09Å; Q15-S17 PolarHBondContact O-N 3.27Å
18Q45.5Very low67.9Low146 Ų146117.4 Ų117.468%0.68259%0.59SS**Hα-helixtrans-88.6-8.1175.1-75.5-173.1-5.600113.1L14 Q15 V20L14-Q18 WeakPolarHBondContact O-CB 3.37Å; L14-Q18 WeakPolarHBondContact O-CG 3.37Å; L14-Q18 PolarHBondContact O-N 2.61Å; Q15-Q18 CarbonylContact O-C 3.54Å; Q15-Q18 PolarHBondContact O-N 2.84Å; Q15-Q18 VanDerWaalsContact O-N 3.1Å; Q18-V20 PolarHBondContact O-N 3.45Å
19T42.3Very low68.2Low104 Ų104113.4 Ų113.464%0.63857%0.574SS**SBendtrans-64.669.4143.533.50000109.7Q15 N16Q15-T19 PolarHBondContact O-N 2.86Å; N16-T19 VanDerWaalsContact C-OG1 3.28Å; N16-T19 PolarHBondContact O-OG1 3.35Å
20V43.3Very low68.3Low101 Ų101113 Ų11361%0.61258%0.583SS**  trans-60.6133.1167.7-175.70000107.2Q18 V22Q18-V20 PolarHBondContact O-N 3.45Å; V20-V22 HydrophobicContact CB-CG2 4.33Å; V20-V22 HydrophobicContact CG1-CG2 4.33Å; V20-V22 PolarHBondContact O-N 3.08Å
21N43.2Very low68.3Low159 Ų159114.1 Ų114.185%0.8559%0.593SS**  trans-68.178.7167.2-80.6-20.3000109.4E23N21-E23 PolarHBondContact O-N 3.06Å
22V51.8Low68.4Low106 Ų106109.6 Ų109.664%0.64258%0.582SS**  trans-71.6111.6163.2-176.30000106V20 V24V20-V22 HydrophobicContact CB-CG2 4.33Å; V20-V22 HydrophobicContact CG1-CG2 4.33Å; V20-V22 PolarHBondContact O-N 3.08Å; V22-V24 HydrophobicContact CB-CG2 4.31Å; V22-V24 HydrophobicContact CG1-CG2 4.02Å; V22-V24 WeakPolarHBondContact O-CG2 3.43Å; V22-V24 PolarHBondContact O-N 2.61Å
23E59Low68.6Low182 Ų182108.5 Ų108.585%0.8558%0.578SS**  trans-69.479.8171.9-68.1-173.4141.600109.2N21 K25N21-E23 PolarHBondContact O-N 3.06Å; E23-K25 PolarHBondContact O-N 2.68Å; E23-K25 VanDerWaalsContact O-N 3.16Å
24V69.4Low69.1Low56 Ų56102 Ų10234%0.33956%0.56SS.*  trans-67.9118.3-179.2-160.50000108.7V22 T26 E36V22-V24 HydrophobicContact CB-CG2 4.31Å; V22-V24 HydrophobicContact CG1-CG2 4.02Å; V22-V24 WeakPolarHBondContact O-CG2 3.43Å; V22-V24 PolarHBondContact O-N 2.61Å; V24-T26 PolarHBondContact O-N 2.89Å; V24-T26 VanDerWaalsContact O-N 3.14Å; V24-E36 HydrophobicContact CB-CG 4.31Å; V24-E36 HydrophobicContact CG1-CG 3.43Å; V24-E36 VanDerWaalsContact CG1-CG 3.43Å; V24-E36 WeakPolarHBondContact CG1-OE1 3.48Å
25K82.5Confident69.9Low112 Ų11298.5 Ų98.549%0.48754%0.541SS..  trans-63.9118.8-177-60.8158.1-168.8130.90107.5E23 W37 E39 W44E23-K25 PolarHBondContact O-N 2.68Å; E23-K25 VanDerWaalsContact O-N 3.16Å; K25-W37 HydrophobicContact CB-CB 4.02Å; K25-W37 WeakPolarHBondContact O-CB 3.29Å; K25-W37 PolarHBondContact O-N 3.17Å; K25-E39 IonicContact NZ-OE1 2.65Å; K25-E39 PolarHBondContact NZ-OE1 2.81Å; K25-W44 HydrophobicContact CB-CH2 4.2Å; K25-W44 VanDerWaalsContact O-CZ3 3.24Å; K25-W44 WeakPolarHBondContact O-CZ3 3.42Å
26T87.2Confident71.1Confident84 Ų8495.6 Ų95.652%0.51553%0.527SS..EExtended strand (participates in β ladder)trans-114.6147.9178400000110.5V24 V34 M35 E36 K47V24-T26 PolarHBondContact O-N 2.89Å; V24-T26 VanDerWaalsContact O-N 3.14Å; T26-V34 HydrophobicContact CG2-CG1 4.39Å; T26-M35 CarbonylContact C-O 3.59Å; T26-M35 VanDerWaalsContact CA-O 3.24Å; T26-M35 WeakPolarHBondContact CA-O 3.48Å; T26-E36 HydrophobicContact CG2-CB 4.44Å; T26-E36 HydrophobicContact CG2-CG 4.46Å; T26-K47 HydrophobicContact CG2-CD 4.13Å
27R86.3Confident72.2Confident127 Ų12793.3 Ų93.348%0.47951%0.51SS..EExtended strand (participates in β ladder)trans-138.2141.5180164.4178.1162.1150.6-5108D29 M35 W44R27-D29 IonicContact CZ-OD1 3.7Å; R27-D29 IonicContact NE-OD1 2.74Å; R27-D29 PolarHBondContact NE-OD1 2.85Å; R27-D29 IonicContact NH2-OD1 3.84Å; R27-D29 PolarHBondContact NH2-OD1 2.62Å; R27-M35 PolarHBondContact N-O 3Å; R27-M35 PolarHBondContact O-N 2.89Å; R27-W44 HydrophobicContact CB-CE3 4.04Å; R27-W44 HydrophobicContact CB-CH2 3.71Å; R27-W44 HydrophobicContact CB-CZ2 4.33Å; R27-W44 HydrophobicContact CB-CZ3 3.54Å
28V86.7Confident73.7Confident99 Ų9992 Ų9260%0.650%0.497SS*.EExtended strand (participates in β ladder)trans-99.9126.4168.2-1720000107.9V34V28-V34 HydrophobicContact CG2-CG2 4.42Å
29D84.9Confident75.5Confident39 Ų3991 Ų9121%0.20949%0.492CS..  trans-87.5163.1173.9-89.7-30.9000111.8R27 D31 G32 T33 M35R27-D29 IonicContact CZ-OD1 3.7Å; R27-D29 IonicContact NE-OD1 2.74Å; R27-D29 PolarHBondContact NE-OD1 2.85Å; R27-D29 IonicContact NH2-OD1 3.84Å; R27-D29 PolarHBondContact NH2-OD1 2.62Å; D29-D31 PolarHBondContact O-N 3.21Å; D29-G32 PolarHBondContact O-N 3.33Å; D29-T33 PolarHBondContact N-O 3.41Å; D29-M35 WeakPolarHBondContact OD2-CG 3.27Å
30P84.5Confident77.4Confident123 Ų12394.9 Ų94.980%0.79950%0.504SS*.THydrogen-bonded Turntrans-54.5-30.3-172.6-28.436.6000114.7G32P30-G32 PolarHBondContact O-N 3.24Å
31D79.1Confident79.4Confident149 Ų14998.9 Ų98.980%0.79751%0.507SS*.THydrogen-bonded Turntrans-80.212179.2-49.5-46.2000113.2D29 T33D29-D31 PolarHBondContact O-N 3.21Å; D31-T33 PolarHBondContact O-N 3.43Å
32G79.4Confident81.4Confident37 Ų3799.2 Ų99.238%0.38150%0.501SS..SBendtrans72.77.7178.300000115D29 P30D29-G32 PolarHBondContact O-N 3.33Å; P30-G32 PolarHBondContact O-N 3.24Å
33T81.9Confident83.1Confident46 Ų4695 Ų9528%0.28248%0.48SS..  trans-78.4128.6174.6-62.80000109.8D29 D31 M35 P46D29-T33 PolarHBondContact N-O 3.41Å; D31-T33 PolarHBondContact O-N 3.43Å; T33-M35 HydrophobicContact CG2-SD 3.89Å; T33-P46 HydrophobicContact CG2-CB 4.1Å
34V87.1Confident84.6Confident54 Ų5491 Ų9133%0.32746%0.457SS..EExtended strand (participates in β ladder)trans-81.2126.3171.3-174.70000108.3T26 V28 K47T26-V34 HydrophobicContact CG2-CG1 4.39Å; V28-V34 HydrophobicContact CG2-CG2 4.42Å; V34-K47 HydrophobicContact CB-CB 4.19Å; V34-K47 HydrophobicContact CG1-CB 4.06Å; V34-K47 HydrophobicContact CG1-CD 3.94Å; V34-K47 WeakPolarHBondContact O-CB 3.34Å; V34-K47 PolarHBondContact O-N 2.9Å
35M88.2Confident85.4Confident25 Ų2592.3 Ų92.312%0.12346%0.458CS..EExtended strand (participates in β ladder)trans-109.5137.3177.6-58.7-64.6-78.800109.6T26 R27 D29 T33 W44 F45 P46T26-M35 CarbonylContact C-O 3.59Å; T26-M35 VanDerWaalsContact CA-O 3.24Å; T26-M35 WeakPolarHBondContact CA-O 3.48Å; R27-M35 PolarHBondContact N-O 3Å; R27-M35 PolarHBondContact O-N 2.89Å; D29-M35 WeakPolarHBondContact OD2-CG 3.27Å; T33-M35 HydrophobicContact CG2-SD 3.89Å; M35-W44 HydrophobicContact CB-CB 4.3Å; M35-W44 HydrophobicContact CB-CE3 3.91Å; M35-W44 HydrophobicContact CE-CB 3.97Å; M35-F45 CarbonylContact C-O 3.58Å; M35-F45 WeakPolarHBondContact CA-O 3.48Å; M35-P46 HydrophobicContact CE-CG 4.23Å; M35-P46 HydrophobicContact SD-CB 4.14Å; M35-P46 HydrophobicContact SD-CG 3.88Å
36E90Very high85.6Confident66 Ų6689.8 Ų89.831%0.30845%0.453SS..EExtended strand (participates in β ladder)trans-113.7140.2179.1-172169.8-172.900109.6V24 T26 W44 F45 K47V24-E36 HydrophobicContact CB-CG 4.31Å; V24-E36 HydrophobicContact CG1-CG 3.43Å; V24-E36 VanDerWaalsContact CG1-CG 3.43Å; V24-E36 WeakPolarHBondContact CG1-OE1 3.48Å; T26-E36 HydrophobicContact CG2-CB 4.44Å; T26-E36 HydrophobicContact CG2-CG 4.46Å; E36-W44 WeakPolarHBondContact O-CA 3.3Å; E36-F45 PolarHBondContact N-O 2.91Å; E36-F45 PolarHBondContact O-N 3.36Å; E36-K47 HydrophobicContact CB-CB 4.18Å; E36-K47 HydrophobicContact CB-CD 4.45Å; E36-K47 HydrophobicContact CB-CG 4.43Å; E36-K47 WeakPolarHBondContact OE2-CG 3.38Å
37W89.4Confident85.5Confident68 Ų6888.3 Ų88.326%0.25844%0.44SS..EExtended strand (participates in β ladder)trans-92112.5-178.2176.9-95.8000112.1K25 K42 W44K25-W37 HydrophobicContact CB-CB 4.02Å; K25-W37 WeakPolarHBondContact O-CB 3.29Å; K25-W37 PolarHBondContact O-N 3.17Å; W37-K42 HydrophobicContact CH2-CB 4.38Å; W37-K42 VanDerWaalsContact CH2-O 3.26Å; W37-K42 WeakPolarHBondContact CH2-O 3.13Å; W37-K42 HydrophobicContact CZ2-CB 4.27Å; W37-W44 HydrophobicContact CB-CD2 4.41Å; W37-W44 HydrophobicContact CB-CE3 4.02Å; W37-W44 HydrophobicContact CB-CH2 4.15Å; W37-W44 HydrophobicContact CB-CZ3 3.89Å; W37-W44 AromaticContact CE3-CD1 3.72Å; W37-W44 AromaticContact CE3-CD2 3.86Å; W37-W44 HydrophobicContact CE3-CD2 3.86Å; W37-W44 AromaticContact CE3-CE2 3.66Å; W37-W44 AromaticContact CE3-CG 3.91Å; W37-W44 HydrophobicContact CE3-CG 3.91Å; W37-W44 HydrophobicContact CE3-CZ2 4.26Å; W37-W44 AromaticContact CE3-NE1 3.54Å; W37-W44 AromaticContact CZ3-CD1 3.8Å; W37-W44 HydrophobicContact CZ3-CG 4.38Å; W37-W44 AromaticContact CZ3-NE1 3.73Å
38D85.7Confident85.3Confident48 Ų4888.1 Ų88.126%0.25745%0.447SS..EExtended strand (participates in β ladder)trans-85.5112.4172.4179.5-22.1000109.6Q40 R41 K42 G43 F45D38-Q40 VanDerWaalsContact C-N 3.35Å; D38-Q40 PolarHBondContact O-N 2.86Å; D38-Q40 WeakPolarHBondContact OD1-CA 3.48Å; D38-Q40 VanDerWaalsContact OD1-CB 3.32Å; D38-Q40 WeakPolarHBondContact OD1-CB 3.35Å; D38-Q40 PolarHBondContact OD1-N 3.33Å; D38-R41 HydrophobicContact CB-CB 4.12Å; D38-R41 PolarHBondContact OD1-N 3.14Å; D38-R41 WeakPolarHBondContact OD2-CD 3.3Å; D38-R41 WeakPolarHBondContact OD2-CG 3.39Å; D38-R41 IonicContact OD2-NE 3.13Å; D38-K42 VanDerWaalsContact O-CA 3.31Å; D38-K42 WeakPolarHBondContact O-CA 3.43Å; D38-K42 PolarHBondContact O-N 3.09Å; D38-G43 PolarHBondContact N-O 2.98Å; D38-G43 PolarHBondContact O-N 3.14Å; D38-F45 HydrophobicContact CB-CD2 3.73Å; D38-F45 HydrophobicContact CB-CE2 3.88Å
39E83.8Confident84.9Confident125 Ų12586.7 Ų86.758%0.58444%0.436SS*.THydrogen-bonded Turntrans-71.3-24.4179.1-64.6-157.2153.400114K25K25-E39 IonicContact NZ-OE1 2.65Å; K25-E39 PolarHBondContact NZ-OE1 2.81Å
40Q82.6Confident84.6Confident187 Ų18791.5 Ų91.587%0.87446%0.462SS*.THydrogen-bonded Turntrans-74.3-43.1175.4-56.2-172.15.400110.8D38D38-Q40 VanDerWaalsContact C-N 3.35Å; D38-Q40 PolarHBondContact O-N 2.86Å; D38-Q40 WeakPolarHBondContact OD1-CA 3.48Å; D38-Q40 VanDerWaalsContact OD1-CB 3.32Å; D38-Q40 WeakPolarHBondContact OD1-CB 3.35Å; D38-Q40 PolarHBondContact OD1-N 3.33Å
41R84.2Confident84.3Confident184 Ų18490.2 Ų90.269%0.69445%0.448SS*.THydrogen-bonded Turntrans-85.8-14.1178.9-65.2-177.8-174.2-138.1-5.9113.9D38 G43 F45D38-R41 HydrophobicContact CB-CB 4.12Å; D38-R41 PolarHBondContact OD1-N 3.14Å; D38-R41 WeakPolarHBondContact OD2-CD 3.3Å; D38-R41 WeakPolarHBondContact OD2-CG 3.39Å; D38-R41 IonicContact OD2-NE 3.13Å; R41-G43 VanDerWaalsContact C-N 3.31Å; R41-G43 PolarHBondContact O-N 2.95Å; R41-F45 HydrophobicContact CB-CE2 3.63Å; R41-F45 HydrophobicContact CB-CZ 3.84Å; R41-F45 VanDerWaalsContact CD-CZ 3.46Å; R41-F45 HydrophobicContact CG-CE2 4.34Å; R41-F45 HydrophobicContact CG-CZ 4.29Å
42K86.1Confident84.3Confident166 Ų16686.5 Ų86.572%0.72243%0.425SS*.THydrogen-bonded Turntrans54.245-177.8-57-178.6-178.3179.10112.4W37 D38W37-K42 HydrophobicContact CH2-CB 4.38Å; W37-K42 VanDerWaalsContact CH2-O 3.26Å; W37-K42 WeakPolarHBondContact CH2-O 3.13Å; W37-K42 HydrophobicContact CZ2-CB 4.27Å; D38-K42 VanDerWaalsContact O-CA 3.31Å; D38-K42 WeakPolarHBondContact O-CA 3.43Å; D38-K42 PolarHBondContact O-N 3.09Å
43G87.9Confident84.4Confident18 Ų1887.6 Ų87.619%0.18642%0.421CS..EExtended strand (participates in β ladder)trans-148.9161.1-175.500000112.8D38 R41 F45D38-G43 PolarHBondContact N-O 2.98Å; D38-G43 PolarHBondContact O-N 3.14Å; R41-G43 VanDerWaalsContact C-N 3.31Å; R41-G43 PolarHBondContact O-N 2.95Å; G43-F45 WeakPolarHBondContact O-CD2 3.41Å
44W89.5Confident84.3Confident99 Ų9987 Ų8738%0.37542%0.421SS..EExtended strand (participates in β ladder)trans-87.8129.5171.4-67.499.3000109.6K25 R27 M35 E36 W37K25-W44 HydrophobicContact CB-CH2 4.2Å; K25-W44 VanDerWaalsContact O-CZ3 3.24Å; K25-W44 WeakPolarHBondContact O-CZ3 3.42Å; R27-W44 HydrophobicContact CB-CE3 4.04Å; R27-W44 HydrophobicContact CB-CH2 3.71Å; R27-W44 HydrophobicContact CB-CZ2 4.33Å; R27-W44 HydrophobicContact CB-CZ3 3.54Å; M35-W44 HydrophobicContact CB-CB 4.3Å; M35-W44 HydrophobicContact CB-CE3 3.91Å; M35-W44 HydrophobicContact CE-CB 3.97Å; E36-W44 WeakPolarHBondContact O-CA 3.3Å; W37-W44 HydrophobicContact CB-CD2 4.41Å; W37-W44 HydrophobicContact CB-CE3 4.02Å; W37-W44 HydrophobicContact CB-CH2 4.15Å; W37-W44 HydrophobicContact CB-CZ3 3.89Å; W37-W44 AromaticContact CE3-CD1 3.72Å; W37-W44 AromaticContact CE3-CD2 3.86Å; W37-W44 HydrophobicContact CE3-CD2 3.86Å; W37-W44 AromaticContact CE3-CE2 3.66Å; W37-W44 AromaticContact CE3-CG 3.91Å; W37-W44 HydrophobicContact CE3-CG 3.91Å; W37-W44 HydrophobicContact CE3-CZ2 4.26Å; W37-W44 AromaticContact CE3-NE1 3.54Å; W37-W44 AromaticContact CZ3-CD1 3.8Å; W37-W44 HydrophobicContact CZ3-CG 4.38Å; W37-W44 AromaticContact CZ3-NE1 3.73Å
45F86.9Confident84Confident83 Ų8391.5 Ų91.536%0.36443%0.432SS..EExtended strand (participates in β ladder)trans-124.7145.7178-67.5-90000110.1M35 E36 D38 R41 G43 K47M35-F45 CarbonylContact C-O 3.58Å; M35-F45 WeakPolarHBondContact CA-O 3.48Å; E36-F45 PolarHBondContact N-O 2.91Å; E36-F45 PolarHBondContact O-N 3.36Å; D38-F45 HydrophobicContact CB-CD2 3.73Å; D38-F45 HydrophobicContact CB-CE2 3.88Å; R41-F45 HydrophobicContact CB-CE2 3.63Å; R41-F45 HydrophobicContact CB-CZ 3.84Å; R41-F45 VanDerWaalsContact CD-CZ 3.46Å; R41-F45 HydrophobicContact CG-CE2 4.34Å; R41-F45 HydrophobicContact CG-CZ 4.29Å; G43-F45 WeakPolarHBondContact O-CD2 3.41Å; F45-K47 PolarHBondContact O-N 2.92Å
46P86.8Confident83.6Confident59 Ų5996.2 Ų96.238%0.38345%0.45SS..EExtended strand (participates in β ladder)trans-59.5129.5175-23.434.3000111.2T33 M35 I48 F52T33-P46 HydrophobicContact CG2-CB 4.1Å; M35-P46 HydrophobicContact CE-CG 4.23Å; M35-P46 HydrophobicContact SD-CB 4.14Å; M35-P46 HydrophobicContact SD-CG 3.88Å; P46-I48 WeakPolarHBondContact O-CG1 3.21Å; P46-I48 PolarHBondContact O-N 3.2Å; P46-F52 HydrophobicContact CB-CE2 4.31Å; P46-F52 HydrophobicContact CB-CZ 4.39Å
47K84Confident83.2Confident53 Ų5399.3 Ų99.323%0.2346%0.464CS..  trans-73.8112.4179.6-171.8164.5-173.5-69.60109.5T26 V34 E36 F45 D49T26-K47 HydrophobicContact CG2-CD 4.13Å; V34-K47 HydrophobicContact CB-CB 4.19Å; V34-K47 HydrophobicContact CG1-CB 4.06Å; V34-K47 HydrophobicContact CG1-CD 3.94Å; V34-K47 WeakPolarHBondContact O-CB 3.34Å; V34-K47 PolarHBondContact O-N 2.9Å; E36-K47 HydrophobicContact CB-CB 4.18Å; E36-K47 HydrophobicContact CB-CD 4.45Å; E36-K47 HydrophobicContact CB-CG 4.43Å; E36-K47 WeakPolarHBondContact OE2-CG 3.38Å; F45-K47 PolarHBondContact O-N 2.92Å; K47-D49 IonicContact NZ-OD1 2.58Å; K47-D49 PolarHBondContact NZ-OD1 3.11Å; K47-D49 IonicContact NZ-OD2 3.77Å; K47-D49 PolarHBondContact NZ-OD2 3.21Å; K47-D49 PolarHBondContact O-N 2.69Å
48I82.6Confident82.7Confident123 Ų123103.1 Ų103.163%0.63149%0.486SS*.  trans-84.466.2-175-46.9-177.9000109.6P46 F52 I53P46-I48 WeakPolarHBondContact O-CG1 3.21Å; P46-I48 PolarHBondContact O-N 3.2Å; I48-F52 HydrophobicContact CG2-CD1 4.16Å; I48-I53 HydrophobicContact CG2-CD1 3.94Å; I48-I53 HydrophobicContact CG2-CG1 3.68Å
49D78.9Confident82.3Confident68 Ų68105.1 Ų105.136%0.36450%0.504SS..  trans-75.7158.7169.5-73.6-33.4000111.1K47 D51 F52 I53K47-D49 IonicContact NZ-OD1 2.58Å; K47-D49 PolarHBondContact NZ-OD1 3.11Å; K47-D49 IonicContact NZ-OD2 3.77Å; K47-D49 PolarHBondContact NZ-OD2 3.21Å; K47-D49 PolarHBondContact O-N 2.69Å; D49-D51 PolarHBondContact O-N 3.29Å; D49-D51 VanDerWaalsContact O-N 3.07Å; D49-F52 WeakPolarHBondContact O-CA 3.38Å; D49-F52 WeakPolarHBondContact O-CB 3.41Å; D49-F52 PolarHBondContact O-N 3.26Å; D49-I53 PolarHBondContact O-N 3.47Å
50D78.6Confident81.7Confident141 Ų141106.8 Ų106.875%0.75451%0.506SS*.Hα-helixtrans-51-34.9174.3-70.9-33.5000112.2I53 A54D50-I53 PolarHBondContact O-N 2.91Å; D50-A54 VanDerWaalsContact O-CB 3.31Å; D50-A54 WeakPolarHBondContact O-CB 3.41Å; D50-A54 PolarHBondContact O-N 3.38Å
51D77.1Confident80.3Confident95 Ų95100.4 Ų100.451%0.50849%0.491SS..Hα-helixtrans-71.3-32.6178.3-146.477.2000112.7D49 R55D49-D51 PolarHBondContact O-N 3.29Å; D49-D51 VanDerWaalsContact O-N 3.07Å; D51-R55 WeakPolarHBondContact O-CG 3.35Å; D51-R55 PolarHBondContact O-N 3.33Å; D51-R55 VanDerWaalsContact O-N 3.1Å; D51-R55 IonicContact OD2-CZ 2.67Å; D51-R55 IonicContact OD2-NE 3.64Å; D51-R55 PolarHBondContact OD2-NE 3.43Å; D51-R55 IonicContact OD2-NH2 2.65Å; D51-R55 PolarHBondContact OD2-NH2 3.23Å
52F79.6Confident78.6Confident71 Ų7197.9 Ų97.931%0.31150%0.495SS..Hα-helixtrans-70.8-43.8170.3175.1-90.1000110.8P46 I48 D49 A54 R55 Y56P46-F52 HydrophobicContact CB-CE2 4.31Å; P46-F52 HydrophobicContact CB-CZ 4.39Å; I48-F52 HydrophobicContact CG2-CD1 4.16Å; D49-F52 WeakPolarHBondContact O-CA 3.38Å; D49-F52 WeakPolarHBondContact O-CB 3.41Å; D49-F52 PolarHBondContact O-N 3.26Å; F52-A54 VanDerWaalsContact C-N 3.31Å; F52-A54 PolarHBondContact O-N 2.91Å; F52-R55 PolarHBondContact O-N 2.91Å; F52-Y56 WeakPolarHBondContact O-CB 3.47Å; F52-Y56 PolarHBondContact O-N 3.06Å
53I81.2Confident76.3Confident60 Ų6095.4 Ų95.431%0.30850%0.499SS..Hα-helixtrans-59.3-43.9175.5-62.3172.5000110.1I48 D49 D50 Y56 Q57I48-I53 HydrophobicContact CG2-CD1 3.94Å; I48-I53 HydrophobicContact CG2-CG1 3.68Å; D49-I53 PolarHBondContact O-N 3.47Å; D50-I53 PolarHBondContact O-N 2.91Å; I53-Y56 PolarHBondContact O-N 2.93Å; I53-Q57 HydrophobicContact CG2-CG 4.35Å; I53-Q57 VanDerWaalsContact CG2-NE2 3.31Å; I53-Q57 WeakPolarHBondContact O-CB 3.46Å; I53-Q57 VanDerWaalsContact O-CG 3.31Å; I53-Q57 WeakPolarHBondContact O-CG 3.48Å; I53-Q57 PolarHBondContact O-N 3.44Å
54A80.2Confident74.1Confident35 Ų3598.1 Ų98.129%0.28952%0.52SS..Hα-helixtrans-61.7-50.4177.400000112D50 F52 Y56 Q57 M58D50-A54 VanDerWaalsContact O-CB 3.31Å; D50-A54 WeakPolarHBondContact O-CB 3.41Å; D50-A54 PolarHBondContact O-N 3.38Å; F52-A54 VanDerWaalsContact C-N 3.31Å; F52-A54 PolarHBondContact O-N 2.91Å; A54-Y56 VanDerWaalsContact C-N 3.3Å; A54-Y56 PolarHBondContact O-N 3.06Å; A54-Q57 PolarHBondContact O-N 2.92Å; A54-M58 WeakPolarHBondContact O-CB 3.46Å; A54-M58 VanDerWaalsContact O-CG 3.26Å; A54-M58 WeakPolarHBondContact O-CG 3.44Å; A54-M58 PolarHBondContact O-N 2.88Å
55R80.4Confident71.6Confident148 Ų14899.6 Ų99.656%0.55855%0.545SS*.Hα-helixtrans-61.3-37.8177.3-67.2171.3-154.4-173.56.1112.3D51 F52 M58 S59D51-R55 WeakPolarHBondContact O-CG 3.35Å; D51-R55 PolarHBondContact O-N 3.33Å; D51-R55 VanDerWaalsContact O-N 3.1Å; D51-R55 IonicContact OD2-CZ 2.67Å; D51-R55 IonicContact OD2-NE 3.64Å; D51-R55 PolarHBondContact OD2-NE 3.43Å; D51-R55 IonicContact OD2-NH2 2.65Å; D51-R55 PolarHBondContact OD2-NH2 3.23Å; F52-R55 PolarHBondContact O-N 2.91Å; R55-M58 PolarHBondContact O-N 3.01Å; R55-S59 PolarHBondContact O-N 2.75Å; R55-S59 VanDerWaalsContact O-N 3.07Å
56Y79.6Confident69.4Low123 Ų123102.9 Ų102.948%0.48257%0.567SS.*Hα-helixtrans-66.4-46.4174.3-174-86.7000111.4F52 I53 A54 M58 S59 Y60F52-Y56 WeakPolarHBondContact O-CB 3.47Å; F52-Y56 PolarHBondContact O-N 3.06Å; I53-Y56 PolarHBondContact O-N 2.93Å; A54-Y56 VanDerWaalsContact C-N 3.3Å; A54-Y56 PolarHBondContact O-N 3.06Å; Y56-M58 VanDerWaalsContact C-N 3.27Å; Y56-M58 PolarHBondContact O-N 3.38Å; Y56-S59 PolarHBondContact O-N 2.92Å; Y56-S59 VanDerWaalsContact O-N 3.15Å; Y56-S59 PolarHBondContact O-OG 2.95Å; Y56-Y60 AromaticContact CD1-CD2 3.95Å; Y56-Y60 HydrophobicContact CD1-CD2 3.95Å; Y56-Y60 HydrophobicContact CD1-CE2 4.3Å; Y56-Y60 HydrophobicContact CD2-CD2 4.4Å; Y56-Y60 HydrophobicContact CD2-CE2 4.09Å; Y56-Y60 AromaticContact CE1-CD2 3.66Å; Y56-Y60 HydrophobicContact CE1-CD2 3.66Å; Y56-Y60 AromaticContact CE1-CE2 3.77Å; Y56-Y60 HydrophobicContact CE1-CE2 3.77Å; Y56-Y60 HydrophobicContact CE1-CG 4.46Å; Y56-Y60 HydrophobicContact CE2-CD2 4.15Å; Y56-Y60 AromaticContact CE2-CE2 3.53Å; Y56-Y60 HydrophobicContact CE2-CE2 3.53Å; Y56-Y60 HydrophobicContact CG-CD2 4.31Å; Y56-Y60 HydrophobicContact CG-CE2 4.45Å; Y56-Y60 AromaticContact CZ-CD2 3.77Å; Y56-Y60 AromaticContact CZ-CE2 3.34Å; Y56-Y60 WeakPolarHBondContact O-CD2 3.46Å; Y56-Y60 PolarHBondContact O-N 2.99Å
57Q81.9Confident66.8Low132 Ų132109.5 Ų109.562%0.61759%0.592SS**Hα-helixtrans-64.5-31.1176.5-72.117810.600112.6I53 A54 Y60 G61I53-Q57 HydrophobicContact CG2-CG 4.35Å; I53-Q57 VanDerWaalsContact CG2-NE2 3.31Å; I53-Q57 WeakPolarHBondContact O-CB 3.46Å; I53-Q57 VanDerWaalsContact O-CG 3.31Å; I53-Q57 WeakPolarHBondContact O-CG 3.48Å; I53-Q57 PolarHBondContact O-N 3.44Å; A54-Q57 PolarHBondContact O-N 2.92Å; Q57-Y60 CarbonylContact O-C 3.57Å; Q57-G61 PolarHBondContact O-N 3.39Å
58M78.3Confident64.8Low147 Ų147115.3 Ų115.372%0.72462%0.62SS**Hα-helixtrans-67.8-38.4171.7-71.3172.9-173.800112.7A54 R55 Y56 G61A54-M58 WeakPolarHBondContact O-CB 3.46Å; A54-M58 VanDerWaalsContact O-CG 3.26Å; A54-M58 WeakPolarHBondContact O-CG 3.44Å; A54-M58 PolarHBondContact O-N 2.88Å; R55-M58 PolarHBondContact O-N 3.01Å; Y56-M58 VanDerWaalsContact C-N 3.27Å; Y56-M58 PolarHBondContact O-N 3.38Å; M58-G61 PolarHBondContact O-N 3.41Å; M58-G61 VanDerWaalsContact O-N 3.11Å
59S78.3Confident62.8Low90 Ų90117.8 Ų117.863%0.62963%0.629SS**Hα-helixtrans-75.5-25177.968.10000113.5R55 Y56R55-S59 PolarHBondContact O-N 2.75Å; R55-S59 VanDerWaalsContact O-N 3.07Å; Y56-S59 PolarHBondContact O-N 2.92Å; Y56-S59 VanDerWaalsContact O-N 3.15Å; Y56-S59 PolarHBondContact O-OG 2.95Å
60Y70.2Confident61Low160 Ų160118.9 Ų118.963%0.62764%0.642SS**THydrogen-bonded Turntrans-90.123.1165.3-71.2-92.4000112.7Y56 Q57 V62Y56-Y60 AromaticContact CD1-CD2 3.95Å; Y56-Y60 HydrophobicContact CD1-CD2 3.95Å; Y56-Y60 HydrophobicContact CD1-CE2 4.3Å; Y56-Y60 HydrophobicContact CD2-CD2 4.4Å; Y56-Y60 HydrophobicContact CD2-CE2 4.09Å; Y56-Y60 AromaticContact CE1-CD2 3.66Å; Y56-Y60 HydrophobicContact CE1-CD2 3.66Å; Y56-Y60 AromaticContact CE1-CE2 3.77Å; Y56-Y60 HydrophobicContact CE1-CE2 3.77Å; Y56-Y60 HydrophobicContact CE1-CG 4.46Å; Y56-Y60 HydrophobicContact CE2-CD2 4.15Å; Y56-Y60 AromaticContact CE2-CE2 3.53Å; Y56-Y60 HydrophobicContact CE2-CE2 3.53Å; Y56-Y60 HydrophobicContact CG-CD2 4.31Å; Y56-Y60 HydrophobicContact CG-CE2 4.45Å; Y56-Y60 AromaticContact CZ-CD2 3.77Å; Y56-Y60 AromaticContact CZ-CE2 3.34Å; Y56-Y60 WeakPolarHBondContact O-CD2 3.46Å; Y56-Y60 PolarHBondContact O-N 2.99Å; Q57-Y60 CarbonylContact O-C 3.57Å; Y60-V62 PolarHBondContact O-N 2.76Å
61G54.4Low59.1Low53 Ų53118.7 Ų118.755%0.54665%0.648SS.*  trans-57.2108.1174.500000111.5Q57 M58 S63Q57-G61 PolarHBondContact O-N 3.39Å; M58-G61 PolarHBondContact O-N 3.41Å; M58-G61 VanDerWaalsContact O-N 3.11Å; G61-S63 PolarHBondContact O-N 3.01Å
62V48.2Very low57.4Low131 Ų131119.4 Ų119.479%0.79466%0.656SS**  trans-47127.3-175.5174.50000111.5Y60 A64Y60-V62 PolarHBondContact O-N 2.76Å; V62-A64 PolarHBondContact O-N 3.31Å
63S38.5Very low55.2Low115 Ų115121 Ų12180%0.80468%0.682SS**  trans-67.276.8167.3430000110.6G61G61-S63 PolarHBondContact O-N 3.01Å
64A41.9Very low53.2Low74 Ų74123 Ų12361%0.61270%0.701SS**  trans-54139.3162.800000108.7V62 N66V62-A64 PolarHBondContact O-N 3.31Å; A64-N66 PolarHBondContact O-N 2.99Å
65S37Very low51.1Low130 Ų130129.6 Ų129.691%0.90973%0.732SS**SBendtrans-7551.8-173.1-44.90000113.5
66N39.1Very low49.1Very low153 Ų153127.4 Ų127.482%0.81874%0.739SS**  trans-126.8106.7171.8-113.711.7000107A64 H68A64-N66 PolarHBondContact O-N 2.99Å; N66-H68 PolarHBondContact O-N 3.38Å; N66-H68 VanDerWaalsContact O-N 3.16Å
67Q33.9Very low46.9Very low197 Ų197128.7 Ų128.792%0.92176%0.759SS**  trans-71.5107172.2-71.2170.4-38.700108.8
68H41.3Very low44.8Very low176 Ų176128 Ų12882%0.81577%0.768SS**  trans-143.6139150.3-142.2-75.1000109.7N66N66-H68 PolarHBondContact O-N 3.38Å; N66-H68 VanDerWaalsContact O-N 3.16Å
69E39.8Very low43.5Very low175 Ų175125.7 Ų125.782%0.81877%0.766SS**  trans-97.1167.8-152.3-60.5-179.7130.800113.8
70S41.5Very low42.6Very low91 Ų91127.1 Ų127.164%0.63677%0.771SS**  trans-56.7151168.245.80000111.6V72S70-V72 VanDerWaalsContact C-N 3.26Å; S70-V72 PolarHBondContact O-N 3.34Å
71P39.5Very low42.4Very low137 Ų137121.6 Ų121.689%0.8975%0.754SS**  trans-74.477.8177.631.9-35.9000111.2
72V40Very low43.4Very low110 Ų110123.3 Ų123.367%0.66775%0.751SS**  trans-85.3127.4165.4-176.90000108.1S70 S74S70-V72 VanDerWaalsContact C-N 3.26Å; S70-V72 PolarHBondContact O-N 3.34Å; V72-S74 PolarHBondContact O-N 3.42Å
73A34.7Very low44.8Very low105 Ų105122.2 Ų122.287%0.86873%0.732SS**  trans-72.8111.7-179.600000111.2
74S39.3Very low46.9Very low100 Ų100121.9 Ų121.970%0.69973%0.726SS**  trans-148.7114.917055.50000111.2V72 S76V72-S74 PolarHBondContact O-N 3.42Å; S74-S76 PolarHBondContact O-N 2.92Å; S74-S76 VanDerWaalsContact O-N 3.15Å
75D34.6Very low48.9Very low175 Ų175126.9 Ų126.994%0.93673%0.729SS**  trans-76.792.4-178.8-64.5-67.9000112.9
76S39.3Very low51.2Low102 Ų102121.9 Ų121.971%0.71369%0.691SS**  trans-163.390.4152.9560000114S74S74-S76 PolarHBondContact O-N 2.92Å; S74-S76 VanDerWaalsContact O-N 3.15Å
77V33.6Very low53.4Low149 Ų149119 Ų11990%0.90368%0.675SS**  trans26.398.5141-167.40000118.2
78C37.8Very low56Low119 Ų119112.6 Ų112.680%0.80466%0.656SS**  trans-143.5122.4134.4-1730000108.6T80C78-T80 PolarHBondContact O-N 3.3Å
79S50.5Low58.2Low97 Ų97108.3 Ų108.368%0.67864%0.636SS**  trans-85.576.5-164.357.50000113.4V81S79-V81 PolarHBondContact O-N 3.48Å; S79-V81 VanDerWaalsContact O-N 3.16Å
80T59.6Low60.5Low121 Ų121100.6 Ų100.674%0.74260%0.601SS**  trans-63.5109.4160.5-66.70000108.7C78 D82C78-T80 PolarHBondContact O-N 3.3Å; T80-D82 PolarHBondContact O-N 3.35Å
81V64.9Low62.7Low43 Ų4399 Ų9926%0.26159%0.593SS.*  trans-72.9117176.2174.60000109.2S79 W83 F86 S114S79-V81 PolarHBondContact O-N 3.48Å; S79-V81 VanDerWaalsContact O-N 3.16Å; V81-W83 PolarHBondContact O-N 3.08Å; V81-F86 HydrophobicContact CG1-CB 3.85Å; V81-F86 HydrophobicContact CG1-CD2 4.37Å; V81-F86 HydrophobicContact CG1-CG 4.28Å; V81-S114 WeakPolarHBondContact CG2-OG 3.38Å
82D76.4Confident65.1Low89 Ų8999 Ų9948%0.47658%0.581SS.*  trans-69.1102.1166179.8-11.5000108.8T80 T84 R85 F86T80-D82 PolarHBondContact O-N 3.35Å; D82-T84 PolarHBondContact O-N 3.46Å; D82-T84 VanDerWaalsContact O-N 3.16Å; D82-T84 WeakPolarHBondContact OD1-CA 3.23Å; D82-T84 WeakPolarHBondContact OD1-CB 3.49Å; D82-T84 PolarHBondContact OD1-N 3.18Å; D82-T84 PolarHBondContact OD1-OG1 2.96Å; D82-T84 PolarHBondContact OD2-OG1 3.33Å; D82-R85 HydrophobicContact CB-CB 4.13Å; D82-R85 PolarHBondContact O-N 2.9Å; D82-R85 VanDerWaalsContact O-N 3.16Å; D82-R85 PolarHBondContact OD1-N 3.41Å; D82-F86 PolarHBondContact O-N 2.88Å
83W77.6Confident67.3Low109 Ų10994.9 Ų94.941%0.41356%0.555SS.*Hα-helixtrans-58.9-23.4179.4-69.6105.3000113.7V81 F86 N87 A111 L115V81-W83 PolarHBondContact O-N 3.08Å; W83-F86 AromaticContact CE3-CD1 3.89Å; W83-F86 HydrophobicContact CE3-CD1 3.89Å; W83-F86 HydrophobicContact CE3-CE1 4.48Å; W83-F86 HydrophobicContact CE3-CG 4.38Å; W83-F86 HydrophobicContact CZ3-CD1 4.01Å; W83-F86 HydrophobicContact CZ3-CE1 4.17Å; W83-N87 WeakPolarHBondContact O-CB 3.39Å; W83-N87 VanDerWaalsContact O-CG 3.3Å; W83-N87 PolarHBondContact O-N 3.16Å; W83-N87 VanDerWaalsContact O-N 3.13Å; W83-N87 PolarHBondContact O-ND2 3.16Å; W83-A111 HydrophobicContact CH2-CB 3.93Å; W83-A111 HydrophobicContact CZ3-CB 3.86Å; W83-L115 HydrophobicContact CH2-CB 4.47Å; W83-L115 HydrophobicContact CZ2-CB 4.41Å; W83-L115 HydrophobicContact CZ2-CD1 4.45Å
84T82.2Confident69.9Low108 Ų10894.3 Ų94.366%0.66353%0.531SS*.Hα-helixtrans-73.4-45.7176.170.70000110.8D82 N87 A88D82-T84 PolarHBondContact O-N 3.46Å; D82-T84 VanDerWaalsContact O-N 3.16Å; D82-T84 WeakPolarHBondContact OD1-CA 3.23Å; D82-T84 WeakPolarHBondContact OD1-CB 3.49Å; D82-T84 PolarHBondContact OD1-N 3.18Å; D82-T84 PolarHBondContact OD1-OG1 2.96Å; D82-T84 PolarHBondContact OD2-OG1 3.33Å; T84-N87 PolarHBondContact O-N 3.05Å; T84-A88 PolarHBondContact O-N 3.12Å
85R83.7Confident72.3Confident179 Ų17993.9 Ų93.968%0.67553%0.533SS*.Hα-helixtrans-63.3-46.5173.5-178.1176.4176.2154.11.5111.8D82 N87 A88 E89D82-R85 HydrophobicContact CB-CB 4.13Å; D82-R85 PolarHBondContact O-N 2.9Å; D82-R85 VanDerWaalsContact O-N 3.16Å; D82-R85 PolarHBondContact OD1-N 3.41Å; R85-N87 VanDerWaalsContact C-N 3.34Å; R85-N87 PolarHBondContact O-N 2.94Å; R85-A88 PolarHBondContact O-N 3.43Å; R85-A88 VanDerWaalsContact O-N 3.15Å; R85-E89 WeakPolarHBondContact O-CB 3.36Å; R85-E89 PolarHBondContact O-N 3.3Å
86F85.6Confident74.9Confident24 Ų2489.9 Ų89.911%0.10552%0.515CS..Hα-helixtrans-56.1-45.9177.5174.1-93.2000112.2V81 D82 W83 A88 E89 L90 L107 A111V81-F86 HydrophobicContact CG1-CB 3.85Å; V81-F86 HydrophobicContact CG1-CD2 4.37Å; V81-F86 HydrophobicContact CG1-CG 4.28Å; D82-F86 PolarHBondContact O-N 2.88Å; W83-F86 AromaticContact CE3-CD1 3.89Å; W83-F86 HydrophobicContact CE3-CD1 3.89Å; W83-F86 HydrophobicContact CE3-CE1 4.48Å; W83-F86 HydrophobicContact CE3-CG 4.38Å; W83-F86 HydrophobicContact CZ3-CD1 4.01Å; W83-F86 HydrophobicContact CZ3-CE1 4.17Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 3.38Å; F86-E89 PolarHBondContact O-N 3.44Å; F86-L90 HydrophobicContact CE1-CB 4.49Å; F86-L90 HydrophobicContact CE1-CD2 4.02Å; F86-L90 HydrophobicContact CZ-CD1 4.44Å; F86-L90 HydrophobicContact CZ-CD2 4.33Å; F86-L90 VanDerWaalsContact O-CB 3.28Å; F86-L90 WeakPolarHBondContact O-CB 3.28Å; F86-L90 PolarHBondContact O-N 3.35Å; F86-L107 HydrophobicContact CD2-CD2 3.85Å; F86-L107 HydrophobicContact CD2-CG 4.17Å; F86-L107 HydrophobicContact CE2-CB 4.37Å; F86-L107 HydrophobicContact CE2-CD2 3.48Å; F86-L107 VanDerWaalsContact CE2-CD2 3.48Å; F86-L107 HydrophobicContact CE2-CG 3.63Å; F86-L107 WeakPolarHBondContact CE2-O 3.48Å; F86-L107 HydrophobicContact CZ-CD2 4.08Å; F86-L107 HydrophobicContact CZ-CG 4.47Å; F86-A111 HydrophobicContact CD2-CB 4.22Å; F86-A111 HydrophobicContact CE1-CB 3.96Å; F86-A111 HydrophobicContact CE2-CB 3.48Å; F86-A111 VanDerWaalsContact CE2-CB 3.48Å; F86-A111 HydrophobicContact CZ-CB 3.34Å
87N85.4Confident77.2Confident94 Ų9490.3 Ų90.350%0.50350%0.504SS..Hα-helixtrans-67.6-31.4179.6-78.3-50.4000112.7W83 T84 R85 A91W83-N87 WeakPolarHBondContact O-CB 3.39Å; W83-N87 VanDerWaalsContact O-CG 3.3Å; W83-N87 PolarHBondContact O-N 3.16Å; W83-N87 VanDerWaalsContact O-N 3.13Å; W83-N87 PolarHBondContact O-ND2 3.16Å; T84-N87 PolarHBondContact O-N 3.05Å; R85-N87 VanDerWaalsContact C-N 3.34Å; R85-N87 PolarHBondContact O-N 2.94Å; N87-A91 WeakPolarHBondContact O-CB 3.33Å; N87-A91 PolarHBondContact O-N 2.94Å; N87-A91 VanDerWaalsContact O-N 3.12Å
88A88.3Confident79.6Confident62 Ų6284.6 Ų84.651%0.51248%0.475SS..Hα-helixtrans-69.1-46.7173.300000111.8T84 R85 F86 A91 E92T84-A88 PolarHBondContact O-N 3.12Å; R85-A88 PolarHBondContact O-N 3.43Å; R85-A88 VanDerWaalsContact O-N 3.15Å; F86-A88 VanDerWaalsContact C-N 3.32Å; F86-A88 PolarHBondContact O-N 3.38Å; A88-A91 WeakPolarHBondContact O-CB 3.23Å; A88-A91 PolarHBondContact O-N 3.15Å; A88-A91 VanDerWaalsContact O-N 3.16Å; A88-E92 PolarHBondContact O-N 3.2Å
89E87.5Confident81.7Confident85 Ų8583.8 Ų83.840%0.39746%0.463SS..Hα-helixtrans-62.9-42.3177.9-173.6167.2177.200111.8R85 F86 A91 E92 L93 L107R85-E89 WeakPolarHBondContact O-CB 3.36Å; R85-E89 PolarHBondContact O-N 3.3Å; F86-E89 PolarHBondContact O-N 3.44Å; E89-A91 VanDerWaalsContact C-N 3.32Å; E89-A91 PolarHBondContact O-N 2.8Å; E89-E92 PolarHBondContact O-N 3.16Å; E89-L93 HydrophobicContact CG-CD1 4.23Å; E89-L93 WeakPolarHBondContact O-CB 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.49Å; E89-L93 PolarHBondContact O-N 2.92Å; E89-L107 HydrophobicContact CB-CD2 4.42Å; E89-L107 HydrophobicContact CG-CD1 4.24Å; E89-L107 HydrophobicContact CG-CD2 4.2Å
90L88Confident83.2Confident14 Ų1486.3 Ų86.37%0.07347%0.469CS..Hα-helixtrans-62.2-37.8173.2-170.573.1000112.2F86 R94 V104 L107 M108F86-L90 HydrophobicContact CE1-CB 4.49Å; F86-L90 HydrophobicContact CE1-CD2 4.02Å; F86-L90 HydrophobicContact CZ-CD1 4.44Å; F86-L90 HydrophobicContact CZ-CD2 4.33Å; F86-L90 VanDerWaalsContact O-CB 3.28Å; F86-L90 WeakPolarHBondContact O-CB 3.28Å; F86-L90 PolarHBondContact O-N 3.35Å; L90-R94 WeakPolarHBondContact O-CB 3.33Å; L90-R94 VanDerWaalsContact O-CG 3.23Å; L90-R94 WeakPolarHBondContact O-CG 3.39Å; L90-R94 PolarHBondContact O-N 3.15Å; L90-V104 HydrophobicContact CD1-CG1 4.07Å; L90-L107 HydrophobicContact CB-CD2 3.95Å; L90-L107 HydrophobicContact CD1-CD2 3.96Å; L90-M108 HydrophobicContact CD1-CG 3.74Å; L90-M108 HydrophobicContact CD1-SD 4.46Å
91A88Confident84.5Confident58 Ų5881.6 Ų81.648%0.47944%0.441SS..Hα-helixtrans-69.6-41176.900000112.1N87 A88 E89 A95N87-A91 WeakPolarHBondContact O-CB 3.33Å; N87-A91 PolarHBondContact O-N 2.94Å; N87-A91 VanDerWaalsContact O-N 3.12Å; A88-A91 WeakPolarHBondContact O-CB 3.23Å; A88-A91 PolarHBondContact O-N 3.15Å; A88-A91 VanDerWaalsContact O-N 3.16Å; E89-A91 VanDerWaalsContact C-N 3.32Å; E89-A91 PolarHBondContact O-N 2.8Å; A91-A95 VanDerWaalsContact O-CB 3.29Å; A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 3.37Å
92E89.5Confident85.7Confident136 Ų13684 Ų8464%0.63646%0.455SS*.Hα-helixtrans-67.1-42.7176.5-172.9169.8-171.600112A88 E89 A95 T96A88-E92 PolarHBondContact O-N 3.2Å; E89-E92 PolarHBondContact O-N 3.16Å; E92-A95 PolarHBondContact O-N 3.4Å; E92-T96 HydrophobicContact CG-CG2 4.44Å; E92-T96 WeakPolarHBondContact O-CB 3.24Å; E92-T96 WeakPolarHBondContact O-CG2 3.37Å; E92-T96 PolarHBondContact O-N 3.46Å; E92-T96 PolarHBondContact O-OG1 2.65Å
93L88Confident86.2Confident24 Ų2483.4 Ų83.413%0.12645%0.45CS..Hα-helixtrans-63.8-41.7175.2-74.9169000112.4E89 T96 K97 E103 V104 L107E89-L93 HydrophobicContact CG-CD1 4.23Å; E89-L93 WeakPolarHBondContact O-CB 3.29Å; E89-L93 WeakPolarHBondContact O-CG 3.49Å; E89-L93 PolarHBondContact O-N 2.92Å; L93-T96 PolarHBondContact O-N 3.24Å; L93-T96 PolarHBondContact O-OG1 3.33Å; L93-K97 HydrophobicContact CD2-CD 4.42Å; L93-K97 PolarHBondContact O-N 3.45Å; L93-E103 HydrophobicContact CD2-CB 4.38Å; L93-E103 WeakPolarHBondContact CD2-OE2 3.33Å; L93-V104 HydrophobicContact CB-CG2 3.79Å; L93-L107 HydrophobicContact CD1-CD1 4.07Å; L93-L107 HydrophobicContact CD1-CD2 4.14Å; L93-L107 HydrophobicContact CD1-CG 4.47Å
94R89.3Confident86.8Confident93 Ų9378.3 Ų78.335%0.35143%0.431SS..Hα-helixtrans-65.5-39.7174.1-74.5174.7174.7177.2-0.7112.3L90 G98 D99 V104 M108L90-R94 WeakPolarHBondContact O-CB 3.33Å; L90-R94 VanDerWaalsContact O-CG 3.23Å; L90-R94 WeakPolarHBondContact O-CG 3.39Å; L90-R94 PolarHBondContact O-N 3.15Å; R94-G98 WeakPolarHBondContact O-CA 3.35Å; R94-G98 PolarHBondContact O-N 3.12Å; R94-D99 WeakPolarHBondContact CD-OD1 3.32Å; R94-D99 VanDerWaalsContact CG-OD1 3.3Å; R94-D99 WeakPolarHBondContact CG-OD1 3.49Å; R94-D99 IonicContact CZ-OD1 2.7Å; R94-D99 IonicContact NE-OD1 3.09Å; R94-D99 PolarHBondContact NE-OD1 2.77Å; R94-V104 HydrophobicContact CG-CG1 3.95Å; R94-V104 HydrophobicContact CG-CG2 4.06Å; R94-M108 PolarHBondContact NH2-SD 2.85Å
95A88.6Confident87.1Confident90 Ų9078.7 Ų78.774%0.74443%0.425SS*.Hα-helixtrans-68.4-32.7177.400000113.4A91 E92A91-A95 VanDerWaalsContact O-CB 3.29Å; A91-A95 WeakPolarHBondContact O-CB 3.37Å; A91-A95 PolarHBondContact O-N 3.37Å; E92-A95 PolarHBondContact O-N 3.4Å
96T89.7Confident87.4Confident92 Ų9275.9 Ų75.956%0.56442%0.42SS*.Hα-helixtrans-93.4-33.3-17652.90000114.3E92 L93E92-T96 HydrophobicContact CG-CG2 4.44Å; E92-T96 WeakPolarHBondContact O-CB 3.24Å; E92-T96 WeakPolarHBondContact O-CG2 3.37Å; E92-T96 PolarHBondContact O-N 3.46Å; E92-T96 PolarHBondContact O-OG1 2.65Å; L93-T96 PolarHBondContact O-N 3.24Å; L93-T96 PolarHBondContact O-OG1 3.33Å
97K87.9Confident87.5Confident110 Ų11076.2 Ų76.248%0.47842%0.422SS..Hα-helixtrans-125.1-6.8-172.5-60.3178.5-176.81770114.2L93 E103L93-K97 HydrophobicContact CD2-CD 4.42Å; L93-K97 PolarHBondContact O-N 3.45Å; K97-E103 WeakPolarHBondContact CD-OE2 3.33Å; K97-E103 IonicContact NZ-OE1 2.72Å; K97-E103 PolarHBondContact NZ-OE1 2.9Å; K97-E103 IonicContact NZ-OE2 3.74Å; K97-E103 PolarHBondContact NZ-OE2 3.16Å
98G83.4Confident87.7Confident29 Ų2975.5 Ų75.530%0.29942%0.417SS..  trans78159.8179.800000114.1R94 N100 S101R94-G98 WeakPolarHBondContact O-CA 3.35Å; R94-G98 PolarHBondContact O-N 3.12Å; G98-N100 PolarHBondContact O-N 3.13Å; G98-N100 VanDerWaalsContact O-N 3.09Å; G98-S101 WeakPolarHBondContact O-CB 3.44Å; G98-S101 PolarHBondContact O-N 3.39Å; G98-S101 VanDerWaalsContact O-N 3.08Å
99D81.5Confident87.8Confident102 Ų10278.3 Ų78.355%0.54542%0.418SS..THydrogen-bonded Turntrans-60.7-22.3-174-62.1-63.8000114.7R94R94-D99 WeakPolarHBondContact CD-OD1 3.32Å; R94-D99 VanDerWaalsContact CG-OD1 3.3Å; R94-D99 WeakPolarHBondContact CG-OD1 3.49Å; R94-D99 IonicContact CZ-OD1 2.7Å; R94-D99 IonicContact NE-OD1 3.09Å; R94-D99 PolarHBondContact NE-OD1 2.77Å
100N83.1Confident87.9Confident150 Ų15076.8 Ų76.880%0.80242%0.42SS*.THydrogen-bonded Turntrans-905.2179.9-66.5-39.2000114G98G98-N100 PolarHBondContact O-N 3.13Å; G98-N100 VanDerWaalsContact O-N 3.09Å
101S85.9Confident87.9Confident22 Ų2276.4 Ų76.415%0.15442%0.418CS..  trans-66.2138.1176-179.10000111.6G98 E103 V104 Q105G98-S101 WeakPolarHBondContact O-CB 3.44Å; G98-S101 PolarHBondContact O-N 3.39Å; G98-S101 VanDerWaalsContact O-N 3.08Å; S101-E103 PolarHBondContact O-N 3.34Å; S101-E103 PolarHBondContact OG-N 3.06Å; S101-V104 WeakPolarHBondContact O-CB 3.42Å; S101-V104 PolarHBondContact O-N 3.48Å; S101-Q105 PolarHBondContact O-N 3.43Å
102V89.8Confident87.9Confident93 Ų9378.3 Ų78.356%0.56442%0.42SS*.Hα-helixtrans-55.1-40.9175.1179.70000110.7V104 Q105 E106V102-V104 VanDerWaalsContact C-N 3.31Å; V102-V104 PolarHBondContact O-N 3.01Å; V102-Q105 CarbonylContact O-C 3.57Å; V102-Q105 WeakPolarHBondContact O-CA 3.44Å; V102-Q105 WeakPolarHBondContact O-CB 3.28Å; V102-Q105 PolarHBondContact O-N 3.16Å; V102-Q105 VanDerWaalsContact O-N 3.08Å; V102-E106 HydrophobicContact CG1-CG 4.24Å; V102-E106 WeakPolarHBondContact O-CG 3.21Å; V102-E106 PolarHBondContact O-N 3.21Å
103E87.7Confident87.9Confident78 Ų7876.7 Ų76.736%0.36441%0.413SS..Hα-helixtrans-63.2-34.8178.9-62.3170.9-143.200112.7L93 K97 S101 Q105 L107L93-E103 HydrophobicContact CD2-CB 4.38Å; L93-E103 WeakPolarHBondContact CD2-OE2 3.33Å; K97-E103 WeakPolarHBondContact CD-OE2 3.33Å; K97-E103 IonicContact NZ-OE1 2.72Å; K97-E103 PolarHBondContact NZ-OE1 2.9Å; K97-E103 IonicContact NZ-OE2 3.74Å; K97-E103 PolarHBondContact NZ-OE2 3.16Å; S101-E103 PolarHBondContact O-N 3.34Å; S101-E103 PolarHBondContact OG-N 3.06Å; E103-Q105 VanDerWaalsContact C-N 3.34Å; E103-L107 WeakPolarHBondContact O-CB 3.37Å; E103-L107 PolarHBondContact O-N 3.23Å
104V89Confident87.8Confident2 Ų277 Ų771%0.01242%0.417CS..Hα-helixtrans-68.9-37.2175.1173.70000110.2L90 L93 R94 S101 V102 M108L90-V104 HydrophobicContact CD1-CG1 4.07Å; L93-V104 HydrophobicContact CB-CG2 3.79Å; R94-V104 HydrophobicContact CG-CG1 3.95Å; R94-V104 HydrophobicContact CG-CG2 4.06Å; S101-V104 WeakPolarHBondContact O-CB 3.42Å; S101-V104 PolarHBondContact O-N 3.48Å; V102-V104 VanDerWaalsContact C-N 3.31Å; V102-V104 PolarHBondContact O-N 3.01Å; V104-M108 HydrophobicContact CG1-SD 4.46Å; V104-M108 WeakPolarHBondContact O-CB 3.37Å; V104-M108 VanDerWaalsContact O-CG 3.3Å; V104-M108 WeakPolarHBondContact O-CG 3.47Å; V104-M108 PolarHBondContact O-N 2.86Å
105Q89.1Confident87.6Confident115 Ų11575.3 Ų75.354%0.53742%0.415SS..Hα-helixtrans-69.8-41175.8-62.4-1795.900111.9S101 V102 E103 M108 K109S101-Q105 PolarHBondContact O-N 3.43Å; V102-Q105 CarbonylContact O-C 3.57Å; V102-Q105 WeakPolarHBondContact O-CA 3.44Å; V102-Q105 WeakPolarHBondContact O-CB 3.28Å; V102-Q105 PolarHBondContact O-N 3.16Å; V102-Q105 VanDerWaalsContact O-N 3.08Å; E103-Q105 VanDerWaalsContact C-N 3.34Å; Q105-M108 PolarHBondContact O-N 2.95Å; Q105-K109 VanDerWaalsContact O-CB 3.3Å; Q105-K109 WeakPolarHBondContact O-CB 3.29Å; Q105-K109 PolarHBondContact O-N 3.15Å
106E90.3Very high87.6Confident121 Ų12174.6 Ų74.657%0.56540%0.401SS*.Hα-helixtrans-64.4-44.2175.4-73.4178.5165.400111.8V102 K109 A110V102-E106 HydrophobicContact CG1-CG 4.24Å; V102-E106 WeakPolarHBondContact O-CG 3.21Å; V102-E106 PolarHBondContact O-N 3.21Å; E106-K109 WeakPolarHBondContact O-CB 3.22Å; E106-K109 PolarHBondContact O-N 3.42Å; E106-A110 PolarHBondContact O-N 2.63Å
107L88.3Confident87.5Confident31 Ų3173.2 Ų73.216%0.16240%0.399CS..Hα-helixtrans-62-45.7175.7-148.394000111F86 E89 L90 L93 E103 K109 A110 A111F86-L107 HydrophobicContact CD2-CD2 3.85Å; F86-L107 HydrophobicContact CD2-CG 4.17Å; F86-L107 HydrophobicContact CE2-CB 4.37Å; F86-L107 HydrophobicContact CE2-CD2 3.48Å; F86-L107 VanDerWaalsContact CE2-CD2 3.48Å; F86-L107 HydrophobicContact CE2-CG 3.63Å; F86-L107 WeakPolarHBondContact CE2-O 3.48Å; F86-L107 HydrophobicContact CZ-CD2 4.08Å; F86-L107 HydrophobicContact CZ-CG 4.47Å; E89-L107 HydrophobicContact CB-CD2 4.42Å; E89-L107 HydrophobicContact CG-CD1 4.24Å; E89-L107 HydrophobicContact CG-CD2 4.2Å; L90-L107 HydrophobicContact CB-CD2 3.95Å; L90-L107 HydrophobicContact CD1-CD2 3.96Å; L93-L107 HydrophobicContact CD1-CD1 4.07Å; L93-L107 HydrophobicContact CD1-CD2 4.14Å; L93-L107 HydrophobicContact CD1-CG 4.47Å; E103-L107 WeakPolarHBondContact O-CB 3.37Å; E103-L107 PolarHBondContact O-N 3.23Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.4Å; L107-A110 PolarHBondContact O-N 2.89Å; L107-A111 PolarHBondContact O-N 3.16Å
108M88.1Confident87.4Confident79 Ų7973.9 Ų73.939%0.38940%0.399SS..Hα-helixtrans-64.1-34.8175.8-73.3-171.969.900112.9L90 R94 V104 Q105 N112L90-M108 HydrophobicContact CD1-CG 3.74Å; L90-M108 HydrophobicContact CD1-SD 4.46Å; R94-M108 PolarHBondContact NH2-SD 2.85Å; V104-M108 HydrophobicContact CG1-SD 4.46Å; V104-M108 WeakPolarHBondContact O-CB 3.37Å; V104-M108 VanDerWaalsContact O-CG 3.3Å; V104-M108 WeakPolarHBondContact O-CG 3.47Å; V104-M108 PolarHBondContact O-N 2.86Å; Q105-M108 PolarHBondContact O-N 2.95Å; M108-N112 PolarHBondContact O-N 2.75Å; M108-N112 VanDerWaalsContact O-N 3.11Å; M108-N112 PolarHBondContact O-ND2 3.48Å
109K90.9Very high87.6Confident121 Ų12177.9 Ų77.953%0.52641%0.406SS..Hα-helixtrans-65.3-47174.1-178.3173.2177.1-69.60111.3Q105 E106 L107 A111 N112 E113Q105-K109 VanDerWaalsContact O-CB 3.3Å; Q105-K109 WeakPolarHBondContact O-CB 3.29Å; Q105-K109 PolarHBondContact O-N 3.15Å; E106-K109 WeakPolarHBondContact O-CB 3.22Å; E106-K109 PolarHBondContact O-N 3.42Å; L107-K109 VanDerWaalsContact C-N 3.32Å; L107-K109 PolarHBondContact O-N 3.4Å; K109-A111 VanDerWaalsContact C-N 3.32Å; K109-A111 PolarHBondContact O-N 3.44Å; K109-N112 PolarHBondContact O-N 3.34Å; K109-N112 VanDerWaalsContact O-N 3.16Å; K109-E113 WeakPolarHBondContact CE-OE1 3.36Å; K109-E113 IonicContact NZ-OE1 3.41Å; K109-E113 PolarHBondContact NZ-OE1 2.86Å; K109-E113 IonicContact NZ-OE2 2.61Å; K109-E113 WeakPolarHBondContact O-CG 3.45Å; K109-E113 PolarHBondContact O-N 3.27Å
110A90.1Very high88Confident53 Ų5378 Ų7844%0.43841%0.407SS..Hα-helixtrans-60.8-38177.400000112.8E106 L107 E113 S114E106-A110 PolarHBondContact O-N 2.63Å; L107-A110 PolarHBondContact O-N 2.89Å; A110-E113 PolarHBondContact O-N 3.03Å; A110-S114 WeakPolarHBondContact O-CB 3.34Å; A110-S114 PolarHBondContact O-N 2.91Å
111A87.4Confident88.4Confident6 Ų672.5 Ų72.55%0.0538%0.38CS..Hα-helixtrans-66.7-40.5173.500000113.3W83 F86 L107 K109 S114 L115W83-A111 HydrophobicContact CH2-CB 3.93Å; W83-A111 HydrophobicContact CZ3-CB 3.86Å; F86-A111 HydrophobicContact CD2-CB 4.22Å; F86-A111 HydrophobicContact CE1-CB 3.96Å; F86-A111 HydrophobicContact CE2-CB 3.48Å; F86-A111 VanDerWaalsContact CE2-CB 3.48Å; F86-A111 HydrophobicContact CZ-CB 3.34Å; L107-A111 PolarHBondContact O-N 3.16Å; K109-A111 VanDerWaalsContact C-N 3.32Å; K109-A111 PolarHBondContact O-N 3.44Å; A111-S114 PolarHBondContact O-N 2.67Å; A111-L115 WeakPolarHBondContact O-CB 3.25Å; A111-L115 PolarHBondContact O-N 3.39Å
112N88.2Confident88.6Confident97 Ų9775.8 Ų75.852%0.51940%0.403SS..Hα-helixtrans-66.3-38.2175.3-72.5-28000111.7M108 K109 L115 T116M108-N112 PolarHBondContact O-N 2.75Å; M108-N112 VanDerWaalsContact O-N 3.11Å; M108-N112 PolarHBondContact O-ND2 3.48Å; K109-N112 PolarHBondContact O-N 3.34Å; K109-N112 VanDerWaalsContact O-N 3.16Å; N112-L115 PolarHBondContact O-N 2.86Å; N112-T116 WeakPolarHBondContact O-CB 3.47Å; N112-T116 PolarHBondContact O-N 3.33Å; N112-T116 PolarHBondContact O-OG1 2.82Å
113E88.9Confident88.4Confident103 Ų10374.3 Ų74.348%0.48140%0.401SS..Hα-helixtrans-64.2-44.5173.4-73.4170.1179.200111.8K109 A110 T116 A117K109-E113 WeakPolarHBondContact CE-OE1 3.36Å; K109-E113 IonicContact NZ-OE1 3.41Å; K109-E113 PolarHBondContact NZ-OE1 2.86Å; K109-E113 IonicContact NZ-OE2 2.61Å; K109-E113 WeakPolarHBondContact O-CG 3.45Å; K109-E113 PolarHBondContact O-N 3.27Å; A110-E113 PolarHBondContact O-N 3.03Å; E113-T116 PolarHBondContact O-N 2.81Å; E113-A117 WeakPolarHBondContact O-CB 3.44Å; E113-A117 PolarHBondContact O-N 3.49Å
114S87.3Confident88.5Confident29 Ų2973.2 Ų73.220%0.20339%0.393CS..Hα-helixtrans-61-44173.9-175.90000112.5V81 A110 A111 T116 A117 Y118V81-S114 WeakPolarHBondContact CG2-OG 3.38Å; A110-S114 WeakPolarHBondContact O-CB 3.34Å; A110-S114 PolarHBondContact O-N 2.91Å; A111-S114 PolarHBondContact O-N 2.67Å; S114-T116 VanDerWaalsContact C-N 3.34Å; S114-T116 PolarHBondContact O-N 3.32Å; S114-A117 PolarHBondContact O-N 2.65Å; S114-Y118 PolarHBondContact O-N 2.74Å
115L84.5Confident88.5Confident59 Ų5981.2 Ų81.231%0.30942%0.423SS..Hα-helixtrans-65.4-37.2177.2-175.962.5000112W83 A111 N112 Y118 Y119W83-L115 HydrophobicContact CH2-CB 4.47Å; W83-L115 HydrophobicContact CZ2-CB 4.41Å; W83-L115 HydrophobicContact CZ2-CD1 4.45Å; A111-L115 WeakPolarHBondContact O-CB 3.25Å; A111-L115 PolarHBondContact O-N 3.39Å; N112-L115 PolarHBondContact O-N 2.86Å; L115-Y118 WeakPolarHBondContact O-CB 3.47Å; L115-Y118 PolarHBondContact O-N 2.65Å; L115-Y119 HydrophobicContact CD1-CD2 4.16Å; L115-Y119 HydrophobicContact CD1-CE2 3.56Å; L115-Y119 HydrophobicContact CD2-CE2 4.18Å; L115-Y119 HydrophobicContact CG-CD2 4.02Å; L115-Y119 HydrophobicContact CG-CE2 3.63Å; L115-Y119 VanDerWaalsContact O-CD2 3.23Å; L115-Y119 WeakPolarHBondContact O-CD2 3.46Å; L115-Y119 PolarHBondContact O-N 2.83Å; L115-Y119 VanDerWaalsContact O-N 3.08Å
116T88.4Confident88.6Confident75 Ų7580.7 Ų80.746%0.4642%0.421SS..Hα-helixtrans-67.2-42.9175.5-55.80000110.8N112 E113 S114 Y118 Y119 N120N112-T116 WeakPolarHBondContact O-CB 3.47Å; N112-T116 PolarHBondContact O-N 3.33Å; N112-T116 PolarHBondContact O-OG1 2.82Å; E113-T116 PolarHBondContact O-N 2.81Å; S114-T116 VanDerWaalsContact C-N 3.34Å; S114-T116 PolarHBondContact O-N 3.32Å; T116-Y118 VanDerWaalsContact C-N 3.3Å; T116-Y118 PolarHBondContact O-N 3.14Å; T116-Y119 PolarHBondContact O-N 3.32Å; T116-N120 WeakPolarHBondContact O-CB 3.28Å; T116-N120 VanDerWaalsContact O-CG 3.32Å; T116-N120 PolarHBondContact O-N 3.1Å
117A88.1Confident88.6Confident63 Ų6381.4 Ų81.452%0.52142%0.419SS..Hα-helixtrans-61.6-36.8173.500000112.5E113 S114 S121E113-A117 WeakPolarHBondContact O-CB 3.44Å; E113-A117 PolarHBondContact O-N 3.49Å; S114-A117 PolarHBondContact O-N 2.65Å; A117-S121 PolarHBondContact O-N 2.83Å
118Y86.1Confident88.7Confident123 Ų12385.7 Ų85.748%0.48243%0.434SS..Hα-helixtrans-63.2-50.3173.5175-99.1000112.3S114 L115 T116 N120 S121 Y124S114-Y118 PolarHBondContact O-N 2.74Å; L115-Y118 WeakPolarHBondContact O-CB 3.47Å; L115-Y118 PolarHBondContact O-N 2.65Å; T116-Y118 VanDerWaalsContact C-N 3.3Å; T116-Y118 PolarHBondContact O-N 3.14Å; Y118-N120 VanDerWaalsContact C-N 3.29Å; Y118-N120 PolarHBondContact O-N 2.66Å; Y118-S121 VanDerWaalsContact O-CB 3.24Å; Y118-S121 WeakPolarHBondContact O-CB 3.45Å; Y118-S121 PolarHBondContact O-N 2.75Å; Y118-S121 VanDerWaalsContact O-N 3.12Å; Y118-S121 PolarHBondContact O-OG 2.94Å; Y118-Y124 AromaticContact CE1-CD2 3.76Å; Y118-Y124 HydrophobicContact CE1-CD2 3.76Å; Y118-Y124 HydrophobicContact CE1-CE2 4.44Å; Y118-Y124 HydrophobicContact CE1-CG 4.47Å; Y118-Y124 WeakPolarHBondContact O-CB 3.29Å
119Y87Confident88.6Confident114 Ų11486.8 Ų86.845%0.44744%0.438SS..Hα-helixtrans-65.6-31179-72.7-55.6000113.2L115 T116 S121 Y124L115-Y119 HydrophobicContact CD1-CD2 4.16Å; L115-Y119 HydrophobicContact CD1-CE2 3.56Å; L115-Y119 HydrophobicContact CD2-CE2 4.18Å; L115-Y119 HydrophobicContact CG-CD2 4.02Å; L115-Y119 HydrophobicContact CG-CE2 3.63Å; L115-Y119 VanDerWaalsContact O-CD2 3.23Å; L115-Y119 WeakPolarHBondContact O-CD2 3.46Å; L115-Y119 PolarHBondContact O-N 2.83Å; L115-Y119 VanDerWaalsContact O-N 3.08Å; T116-Y119 PolarHBondContact O-N 3.32Å; Y119-S121 VanDerWaalsContact C-N 3.28Å; Y119-S121 PolarHBondContact O-N 3.46Å; Y119-Y124 AromaticContact CD1-CD1 3.98Å; Y119-Y124 HydrophobicContact CD1-CD1 3.98Å; Y119-Y124 AromaticContact CD1-CD2 3.92Å; Y119-Y124 HydrophobicContact CD1-CD2 3.92Å; Y119-Y124 AromaticContact CD1-CE1 3.77Å; Y119-Y124 HydrophobicContact CD1-CE1 3.77Å; Y119-Y124 AromaticContact CD1-CE2 3.7Å; Y119-Y124 HydrophobicContact CD1-CE2 3.7Å; Y119-Y124 HydrophobicContact CD1-CG 4.06Å; Y119-Y124 AromaticContact CD1-CZ 3.63Å; Y119-Y124 HydrophobicContact CE1-CD2 4.27Å; Y119-Y124 HydrophobicContact CE1-CE1 4.45Å; Y119-Y124 AromaticContact CE1-CE2 3.75Å; Y119-Y124 HydrophobicContact CE1-CE2 3.75Å; Y119-Y124 AromaticContact CE1-CZ 3.85Å; Y119-Y124 WeakPolarHBondContact O-CD1 3.47Å
120N90.7Very high88.5Confident105 Ų10586 Ų8656%0.56144%0.435SS*.Hα-helixtrans-77.6-10.8175.6-71-10.6000113.7T116 Y118 R125T116-N120 WeakPolarHBondContact O-CB 3.28Å; T116-N120 VanDerWaalsContact O-CG 3.32Å; T116-N120 PolarHBondContact O-N 3.1Å; Y118-N120 VanDerWaalsContact C-N 3.29Å; Y118-N120 PolarHBondContact O-N 2.66Å; N120-R125 PolarHBondContact O-NH1 2.9Å
121S90.1Very high88.4Confident34 Ų3488.9 Ų88.924%0.23844%0.435CS..SBendtrans-66.8152.1-177.1750000113.6A117 Y118 Y119 A123 Y124 R125A117-S121 PolarHBondContact O-N 2.83Å; Y118-S121 VanDerWaalsContact O-CB 3.24Å; Y118-S121 WeakPolarHBondContact O-CB 3.45Å; Y118-S121 PolarHBondContact O-N 2.75Å; Y118-S121 VanDerWaalsContact O-N 3.12Å; Y118-S121 PolarHBondContact O-OG 2.94Å; Y119-S121 VanDerWaalsContact C-N 3.28Å; Y119-S121 PolarHBondContact O-N 3.46Å; S121-A123 VanDerWaalsContact C-N 3.26Å; S121-A123 PolarHBondContact O-N 3.27Å; S121-Y124 PolarHBondContact O-N 3.27Å; S121-Y124 PolarHBondContact OG-N 2.88Å; S121-Y124 VanDerWaalsContact OG-N 3.15Å; S121-R125 PolarHBondContact O-N 3.41Å
122S90.7Very high88.4Confident90 Ų9090.6 Ų90.663%0.62945%0.446SS*.Hα-helixtrans-59-37.9170.849.50000112.2Y124 R125 E126S122-Y124 PolarHBondContact O-N 2.85Å; S122-R125 PolarHBondContact O-N 2.77Å; S122-E126 PolarHBondContact O-N 3.19Å
123A85.7Confident88.3Confident63 Ų6390.8 Ų90.852%0.52144%0.442SS..Hα-helixtrans-61-41.5178.500000112.5S121 W127S121-A123 VanDerWaalsContact C-N 3.26Å; S121-A123 PolarHBondContact O-N 3.27Å; A123-W127 WeakPolarHBondContact O-CB 3.46Å; A123-W127 PolarHBondContact O-N 3.37Å
124Y90.3Very high87.7Confident54 Ų5492.5 Ų92.521%0.21245%0.45CS..Hα-helixtrans-67.6-43.4174.7-176.2-100.1000111.8Y118 Y119 S121 S122 E126 W127 Y128Y118-Y124 AromaticContact CE1-CD2 3.76Å; Y118-Y124 HydrophobicContact CE1-CD2 3.76Å; Y118-Y124 HydrophobicContact CE1-CE2 4.44Å; Y118-Y124 HydrophobicContact CE1-CG 4.47Å; Y118-Y124 WeakPolarHBondContact O-CB 3.29Å; Y119-Y124 AromaticContact CD1-CD1 3.98Å; Y119-Y124 HydrophobicContact CD1-CD1 3.98Å; Y119-Y124 AromaticContact CD1-CD2 3.92Å; Y119-Y124 HydrophobicContact CD1-CD2 3.92Å; Y119-Y124 AromaticContact CD1-CE1 3.77Å; Y119-Y124 HydrophobicContact CD1-CE1 3.77Å; Y119-Y124 AromaticContact CD1-CE2 3.7Å; Y119-Y124 HydrophobicContact CD1-CE2 3.7Å; Y119-Y124 HydrophobicContact CD1-CG 4.06Å; Y119-Y124 AromaticContact CD1-CZ 3.63Å; Y119-Y124 HydrophobicContact CE1-CD2 4.27Å; Y119-Y124 HydrophobicContact CE1-CE1 4.45Å; Y119-Y124 AromaticContact CE1-CE2 3.75Å; Y119-Y124 HydrophobicContact CE1-CE2 3.75Å; Y119-Y124 AromaticContact CE1-CZ 3.85Å; Y119-Y124 WeakPolarHBondContact O-CD1 3.47Å; S121-Y124 PolarHBondContact O-N 3.27Å; S121-Y124 PolarHBondContact OG-N 2.88Å; S121-Y124 VanDerWaalsContact OG-N 3.15Å; S122-Y124 PolarHBondContact O-N 2.85Å; Y124-E126 PolarHBondContact O-N 3.26Å; Y124-W127 HydrophobicContact CD2-CE3 4.03Å; Y124-W127 HydrophobicContact CD2-CZ3 4.46Å; Y124-W127 AromaticContact CE2-CE3 3.66Å; Y124-W127 HydrophobicContact CE2-CE3 3.66Å; Y124-W127 AromaticContact CE2-CZ3 3.65Å; Y124-W127 HydrophobicContact CE2-CZ3 3.65Å; Y124-W127 PolarHBondContact O-N 2.85Å; Y124-Y128 WeakPolarHBondContact O-CB 3.37Å; Y124-Y128 PolarHBondContact O-N 3.24Å
125R88.9Confident87.3Confident170 Ų17094.7 Ų94.764%0.64246%0.46SS*.Hα-helixtrans-58.4-47.7175.4-78.2-179.8158.9122-9.1112.4N120 S121 S122 W127 Y128 E129N120-R125 PolarHBondContact O-NH1 2.9Å; S121-R125 PolarHBondContact O-N 3.41Å; S122-R125 PolarHBondContact O-N 2.77Å; R125-W127 PolarHBondContact O-N 3.07Å; R125-Y128 PolarHBondContact O-N 3.01Å; R125-E129 WeakPolarHBondContact O-CB 3.33Å; R125-E129 PolarHBondContact O-N 3.22Å
126E89.6Confident86.7Confident105 Ų10597.9 Ų97.949%0.49147%0.473SS..Hα-helixtrans-61.6-41.4175.9-84.9-165-130.300113.1S122 Y124 K130S122-E126 PolarHBondContact O-N 3.19Å; Y124-E126 PolarHBondContact O-N 3.26Å; E126-K130 WeakPolarHBondContact O-CB 3.26Å; E126-K130 VanDerWaalsContact O-CD 3.28Å; E126-K130 WeakPolarHBondContact O-CD 3.41Å; E126-K130 WeakPolarHBondContact O-CG 3.33Å; E126-K130 PolarHBondContact O-N 3.35Å; E126-K130 VanDerWaalsContact O-N 3.1Å; E126-K130 IonicContact OE2-NZ 3.36Å; E126-K130 PolarHBondContact OE2-NZ 3.42Å
127W90.3Very high85.3Confident135 Ų13598.5 Ų98.551%0.51148%0.48SS..Hα-helixtrans-64.6-44.3176.8173.587.8000111.2A123 Y124 R125 K130 Y131A123-W127 WeakPolarHBondContact O-CB 3.46Å; A123-W127 PolarHBondContact O-N 3.37Å; Y124-W127 HydrophobicContact CD2-CE3 4.03Å; Y124-W127 HydrophobicContact CD2-CZ3 4.46Å; Y124-W127 AromaticContact CE2-CE3 3.66Å; Y124-W127 HydrophobicContact CE2-CE3 3.66Å; Y124-W127 AromaticContact CE2-CZ3 3.65Å; Y124-W127 HydrophobicContact CE2-CZ3 3.65Å; Y124-W127 PolarHBondContact O-N 2.85Å; R125-W127 PolarHBondContact O-N 3.07Å; W127-K130 PolarHBondContact O-N 2.89Å; W127-Y131 WeakPolarHBondContact O-CB 3.28Å; W127-Y131 PolarHBondContact O-N 2.81Å
128Y90.6Very high83.7Confident122 Ų122103 Ų10348%0.47849%0.491SS..Hα-helixtrans-65.3-42.7179.1-171-99.6000111.7Y124 R125 K130 Y131 C132Y124-Y128 WeakPolarHBondContact O-CB 3.37Å; Y124-Y128 PolarHBondContact O-N 3.24Å; R125-Y128 PolarHBondContact O-N 3.01Å; Y128-K130 PolarHBondContact O-N 2.87Å; Y128-Y131 WeakPolarHBondContact O-CB 3.22Å; Y128-Y131 PolarHBondContact O-N 3.03Å; Y128-Y131 VanDerWaalsContact O-N 3.16Å; Y128-C132 VanDerWaalsContact CE1-SG 3.59Å; Y128-C132 PolarHBondContact O-N 2.9Å; Y128-C132 PolarHBondContact O-SG 3.18Å; Y128-C132 VanDerWaalsContact O-SG 3.4Å
129E87.1Confident82Confident102 Ų102101.5 Ų101.548%0.47749%0.491SS..Hα-helixtrans-62.4-41.3175.9-158.7-150.1-168.800111.8R125 K133R125-E129 WeakPolarHBondContact O-CB 3.33Å; R125-E129 PolarHBondContact O-N 3.22Å; E129-K133 WeakPolarHBondContact O-CG 3.22Å; E129-K133 PolarHBondContact O-N 3.39Å; E129-K133 VanDerWaalsContact O-N 3.07Å; E129-K133 WeakPolarHBondContact OE1-CE 3.27Å; E129-K133 IonicContact OE1-NZ 2.66Å; E129-K133 PolarHBondContact OE1-NZ 3.18Å; E129-K133 IonicContact OE2-NZ 3.5Å; E129-K133 PolarHBondContact OE2-NZ 3.1Å
130K88.7Confident79.9Confident105 Ų105101.2 Ų101.246%0.45750%0.501SS..Hα-helixtrans-65-37.6173.8-70.8161.7-166.8158.10111.8E126 W127 Y128 Q134E126-K130 WeakPolarHBondContact O-CB 3.26Å; E126-K130 VanDerWaalsContact O-CD 3.28Å; E126-K130 WeakPolarHBondContact O-CD 3.41Å; E126-K130 WeakPolarHBondContact O-CG 3.33Å; E126-K130 PolarHBondContact O-N 3.35Å; E126-K130 VanDerWaalsContact O-N 3.1Å; E126-K130 IonicContact OE2-NZ 3.36Å; E126-K130 PolarHBondContact OE2-NZ 3.42Å; W127-K130 PolarHBondContact O-N 2.89Å; Y128-K130 PolarHBondContact O-N 2.87Å; K130-Q134 WeakPolarHBondContact O-CG 3.39Å; K130-Q134 PolarHBondContact O-N 3.4Å
131Y87.1Confident77.5Confident112 Ų112103.2 Ų103.244%0.43951%0.507SS..Hα-helixtrans-65.7-47.2175.8176.4-99.1000112.2W127 Y128 Q134 N135W127-Y131 WeakPolarHBondContact O-CB 3.28Å; W127-Y131 PolarHBondContact O-N 2.81Å; Y128-Y131 WeakPolarHBondContact O-CB 3.22Å; Y128-Y131 PolarHBondContact O-N 3.03Å; Y128-Y131 VanDerWaalsContact O-N 3.16Å; Y131-Q134 PolarHBondContact O-N 3.23Å; Y131-N135 VanDerWaalsContact CE1-ND2 3.26Å; Y131-N135 WeakPolarHBondContact CE1-ND2 3.38Å; Y131-N135 PolarHBondContact O-N 3.29Å; Y131-N135 PolarHBondContact OH-ND2 2.95Å
132C87.8Confident74.8Confident43 Ų43107.4 Ų107.429%0.29153%0.533SS..Hα-helixtrans-58.7-49.1175.8-71.10000111.6Y128 Q134 N135 E136Y128-C132 VanDerWaalsContact CE1-SG 3.59Å; Y128-C132 PolarHBondContact O-N 2.9Å; Y128-C132 PolarHBondContact O-SG 3.18Å; Y128-C132 VanDerWaalsContact O-SG 3.4Å; C132-Q134 VanDerWaalsContact C-N 3.26Å; C132-Q134 PolarHBondContact O-N 2.81Å; C132-N135 PolarHBondContact O-N 2.96Å; C132-E136 WeakPolarHBondContact O-CG 3.42Å; C132-E136 PolarHBondContact O-N 3.07Å
133K86.1Confident72.4Confident100 Ų100107.5 Ų107.544%0.43553%0.526SS..Hα-helixtrans-58.5-34.6177.2-72169.2-176.6170.40113E129 S137E129-K133 WeakPolarHBondContact O-CG 3.22Å; E129-K133 PolarHBondContact O-N 3.39Å; E129-K133 VanDerWaalsContact O-N 3.07Å; E129-K133 WeakPolarHBondContact OE1-CE 3.27Å; E129-K133 IonicContact OE1-NZ 2.66Å; E129-K133 PolarHBondContact OE1-NZ 3.18Å; E129-K133 IonicContact OE2-NZ 3.5Å; E129-K133 PolarHBondContact OE2-NZ 3.1Å; K133-S137 WeakPolarHBondContact O-CB 3.36Å; K133-S137 PolarHBondContact O-N 3.32Å; K133-S137 PolarHBondContact O-OG 2.62Å
134Q77.6Confident69.9Low139 Ų139112.8 Ų112.865%0.6554%0.54SS*.Hα-helixtrans-70.5-39173.4-74.8-171.415.700112.8K130 Y131 C132 S137 Q138K130-Q134 WeakPolarHBondContact O-CG 3.39Å; K130-Q134 PolarHBondContact O-N 3.4Å; Y131-Q134 PolarHBondContact O-N 3.23Å; C132-Q134 VanDerWaalsContact C-N 3.26Å; C132-Q134 PolarHBondContact O-N 2.81Å; Q134-S137 WeakPolarHBondContact O-CB 3.5Å; Q134-S137 PolarHBondContact O-N 2.8Å; Q134-Q138 PolarHBondContact O-N 3.3Å
135N78.9Confident67.5Low75 Ų75117.3 Ų117.340%0.40156%0.563SS.*Hα-helixtrans-72.4-39.1177.4-84.8-13.2000112.9Y131 C132 S137 Q138 N139Y131-N135 VanDerWaalsContact CE1-ND2 3.26Å; Y131-N135 WeakPolarHBondContact CE1-ND2 3.38Å; Y131-N135 PolarHBondContact O-N 3.29Å; Y131-N135 PolarHBondContact OH-ND2 2.95Å; C132-N135 PolarHBondContact O-N 2.96Å; N135-S137 VanDerWaalsContact C-N 3.25Å; N135-S137 PolarHBondContact O-N 3.3Å; N135-Q138 CarbonylContact O-C 3.53Å; N135-Q138 WeakPolarHBondContact O-CA 3.18Å; N135-Q138 WeakPolarHBondContact O-CB 3.37Å; N135-Q138 PolarHBondContact O-N 3Å; N135-N139 WeakPolarHBondContact O-CB 3.46Å; N135-N139 PolarHBondContact O-N 2.84Å
136E71Confident65.1Low127 Ų127116.5 Ų116.559%0.59356%0.564SS**Hα-helixtrans-59.4-39.1171.6-69.8-178.612400111.4C132 Q138 N139 T140C132-E136 WeakPolarHBondContact O-CG 3.42Å; C132-E136 PolarHBondContact O-N 3.07Å; E136-Q138 PolarHBondContact O-N 2.75Å; E136-N139 CarbonylContact O-C 3.55Å; E136-N139 PolarHBondContact O-N 3.49Å; E136-N139 VanDerWaalsContact O-N 3.08Å; E136-T140 PolarHBondContact O-N 3.23Å
137S59Low62.8Low88 Ų88117.4 Ų117.462%0.61557%0.571SS**Hα-helixtrans-62.2-25173.7-60.30000113.5K133 Q134 N135K133-S137 WeakPolarHBondContact O-CB 3.36Å; K133-S137 PolarHBondContact O-N 3.32Å; K133-S137 PolarHBondContact O-OG 2.62Å; Q134-S137 WeakPolarHBondContact O-CB 3.5Å; Q134-S137 PolarHBondContact O-N 2.8Å; N135-S137 VanDerWaalsContact C-N 3.25Å; N135-S137 PolarHBondContact O-N 3.3Å
138Q54.3Low60.2Low157 Ų157117.2 Ų117.273%0.73458%0.575SS**Hα-helixtrans-88.5-28.5171.9-62.1-71.9-2300112.5Q134 N135 E136Q134-Q138 PolarHBondContact O-N 3.3Å; N135-Q138 CarbonylContact O-C 3.53Å; N135-Q138 WeakPolarHBondContact O-CA 3.18Å; N135-Q138 WeakPolarHBondContact O-CB 3.37Å; N135-Q138 PolarHBondContact O-N 3Å; E136-Q138 PolarHBondContact O-N 2.75Å
139N51.1Low57.6Low92 Ų92117.7 Ų117.749%0.49259%0.585SS.*  trans-101.517.3-170.1-155.429.6000114.3N135 E136 Q141 I143N135-N139 WeakPolarHBondContact O-CB 3.46Å; N135-N139 PolarHBondContact O-N 2.84Å; E136-N139 CarbonylContact O-C 3.55Å; E136-N139 PolarHBondContact O-N 3.49Å; E136-N139 VanDerWaalsContact O-N 3.08Å; N139-Q141 PolarHBondContact O-N 3.15Å; N139-I143 WeakPolarHBondContact OD1-CD1 3.33Å
140T42.6Very low55.3Low108 Ų108121.2 Ų121.266%0.66360%0.599SS**  trans-78.350.2171.735.70000112.8E136E136-T140 PolarHBondContact O-N 3.23Å
141Q39.2Very low52.8Low147 Ų147126.1 Ų126.169%0.68762%0.62SS**SBendtrans-122.4144.9148.5-67.6-67.3-91.800106.5N139 I143N139-Q141 PolarHBondContact O-N 3.15Å; Q141-I143 PolarHBondContact O-N 2.91Å
142P33.4Very low50.6Low121 Ų121125.1 Ų125.179%0.78663%0.629SS**  trans-66.588.2165.829.5-32.6000107.9E144P142-E144 PolarHBondContact O-N 2.99Å
143I41.3Very low48.5Very low92 Ų92127.1 Ų127.147%0.47264%0.644SS.*  trans-71.489.2162.9-51.5-172.7000105N139 Q141 H145N139-I143 WeakPolarHBondContact OD1-CD1 3.33Å; Q141-I143 PolarHBondContact O-N 2.91Å; I143-H145 WeakPolarHBondContact CG2-CD2 3.38Å; I143-H145 PolarHBondContact O-N 3.45Å
144E34.1Very low46.9Very low175 Ų175131 Ų13182%0.81867%0.669SS**  trans-53.392.9150.9-70.9-174.8164.800106.4P142 K146P142-E144 PolarHBondContact O-N 2.99Å; E144-K146 PolarHBondContact O-N 3.46Å
145H39.2Very low46.1Very low149 Ų149129.6 Ų129.669%0.6966%0.661SS**  trans-67.675160.9-91.1-87.3000106.5I143 I147I143-H145 WeakPolarHBondContact CG2-CD2 3.38Å; I143-H145 PolarHBondContact O-N 3.45Å; H145-I147 HydrophobicContact CB-CG1 4.43Å; H145-I147 PolarHBondContact O-N 3.04Å
146K38.7Very low45.6Very low153 Ų153128.5 Ų128.567%0.66566%0.663SS**  trans-6770.5162.1-166.5-163.7-174.2-159.60106.8E144 E148E144-K146 PolarHBondContact O-N 3.46Å; K146-E148 VanDerWaalsContact C-N 3.3Å; K146-E148 HydrophobicContact CD-CG 4.12Å; K146-E148 VanDerWaalsContact CE-OE1 3.29Å; K146-E148 WeakPolarHBondContact CE-OE1 3.36Å; K146-E148 HydrophobicContact CG-CG 4.16Å; K146-E148 IonicContact NZ-OE1 2.72Å; K146-E148 PolarHBondContact NZ-OE1 3.39Å; K146-E148 PolarHBondContact O-N 2.91Å
147I40.2Very low45Very low124 Ų124131 Ų13164%0.63667%0.672SS**  trans-57.6105.1159.8-56.1176.2000103.5H145 I149H145-I147 HydrophobicContact CB-CG1 4.43Å; H145-I147 PolarHBondContact O-N 3.04Å; I147-I149 HydrophobicContact CB-CG1 4.26Å; I147-I149 HydrophobicContact CG2-CG1 3.68Å; I147-I149 PolarHBondContact O-N 3.33Å
148E35.5Very low45.7Very low130 Ų130133.7 Ų133.761%0.60767%0.674SS**  trans-73.174172.4-68-162.4152.700108.1K146 K150K146-E148 VanDerWaalsContact C-N 3.3Å; K146-E148 HydrophobicContact CD-CG 4.12Å; K146-E148 VanDerWaalsContact CE-OE1 3.29Å; K146-E148 WeakPolarHBondContact CE-OE1 3.36Å; K146-E148 HydrophobicContact CG-CG 4.16Å; K146-E148 IonicContact NZ-OE1 2.72Å; K146-E148 PolarHBondContact NZ-OE1 3.39Å; K146-E148 PolarHBondContact O-N 2.91Å; E148-K150 VanDerWaalsContact C-N 3.25Å; E148-K150 PolarHBondContact O-N 2.89Å
149I37Very low46.5Very low133 Ų133130.6 Ų130.668%0.68266%0.66SS**  trans-5896.6163.6-57.5177.3000105.3I147 K151I147-I149 HydrophobicContact CB-CG1 4.26Å; I147-I149 HydrophobicContact CG2-CG1 3.68Å; I147-I149 PolarHBondContact O-N 3.33Å; I149-K151 PolarHBondContact O-N 3.01Å
150K38Very low47.5Very low175 Ų175128.4 Ų128.476%0.76165%0.648SS**  trans-61.8100.3175.5-69.3-173.7177.2-176.90107.6E148 S152E148-K150 VanDerWaalsContact C-N 3.25Å; E148-K150 PolarHBondContact O-N 2.89Å; K150-S152 PolarHBondContact O-N 3.19Å; K150-S152 PolarHBondContact O-OG 3.17Å
151K37.5Very low48.9Very low209 Ų209129.1 Ų129.191%0.90964%0.642SS**  trans-67.578.4171.8-75.1-172174.4-176.60108.9I149I149-K151 PolarHBondContact O-N 3.01Å
152S41.1Very low50.4Low90 Ų90127.1 Ų127.163%0.62964%0.641SS**  trans-142.361.6-173.862.50000112.4K150K150-S152 PolarHBondContact O-N 3.19Å; K150-S152 PolarHBondContact O-OG 3.17Å
153S42.8Very low52.3Low85 Ų85125.3 Ų125.359%0.59463%0.631SS**  trans177.1137.3135.645.40000110.8K155S153-K155 PolarHBondContact O-N 3.25Å
154N52.9Low53.8Low182 Ų182124.1 Ų124.197%0.97362%0.624SS**  trans-80.754.9174.1-71.1-16.8000110.9
155K61.1Low55.6Low109 Ų109121.5 Ų121.547%0.47461%0.607SS.*  trans-72.2128.9176.6-81.9179.3171.1-79.30110.2S153 E159S153-K155 PolarHBondContact O-N 3.25Å; K155-E159 HydrophobicContact CB-CB 4.2Å; K155-E159 HydrophobicContact CD-CB 4.31Å; K155-E159 HydrophobicContact CG-CB 4.33Å; K155-E159 IonicContact NZ-OE2 3.79Å; K155-E159 PolarHBondContact NZ-OE2 2.88Å
156A67.5Low57Low53 Ų53120.7 Ų120.744%0.43861%0.605SS.*  trans-62.7152.5174.300000110.8H158 E159A156-H158 PolarHBondContact O-N 3.32Å; A156-E159 PolarHBondContact O-N 3Å
157K58.2Low58.3Low180 Ų180118.9 Ų118.978%0.78360%0.602SS**THydrogen-bonded Turntrans-50-25.4-178.2-75.1-171.2174.1-1730114.1R165K157-R165 PolarHBondContact O-NE 3.08Å; K157-R165 PolarHBondContact O-NH2 3.44Å
158H74Confident59.4Low144 Ų144118 Ų11867%0.66760%0.598SS**THydrogen-bonded Turntrans-70-27.3177.999.9-80.7000114.4A156 R165A156-H158 PolarHBondContact O-N 3.32Å; H158-R165 PolarHBondContact O-NH2 3.17Å
159E71.5Confident60.7Low92 Ų92115.3 Ų115.343%0.4359%0.594SS.*THydrogen-bonded Turntrans-90-11.2-177.4-67.1-176.1-132.200114.9K155 A156K155-E159 HydrophobicContact CB-CB 4.2Å; K155-E159 HydrophobicContact CD-CB 4.31Å; K155-E159 HydrophobicContact CG-CB 4.33Å; K155-E159 IonicContact NZ-OE2 3.79Å; K155-E159 PolarHBondContact NZ-OE2 2.88Å; A156-E159 PolarHBondContact O-N 3Å
160L71.1Confident61.6Low46 Ų46117.7 Ų117.724%0.24160%0.6CS.*SBendtrans-65137.4176.1-67171.5000110.5E164 R165L160-E164 HydrophobicContact CB-CB 4.27Å; L160-E164 HydrophobicContact CD2-CB 4.32Å; L160-R165 HydrophobicContact CB-CB 4.5Å; L160-R165 PolarHBondContact O-NH2 3.16Å
161K72.5Confident62.5Low122 Ų122115.6 Ų115.653%0.5360%0.596SS.*  trans-61.1154.2173.3-61.6179.4-160.91180110.1S163 E164 R165K161-S163 PolarHBondContact O-N 2.68Å; K161-S163 VanDerWaalsContact O-N 3.17Å; K161-E164 HydrophobicContact CB-CB 4.39Å; K161-E164 HydrophobicContact CB-CG 4.13Å; K161-E164 WeakPolarHBondContact CB-OE2 3.49Å; K161-E164 WeakPolarHBondContact CD-OE1 3.35Å; K161-E164 WeakPolarHBondContact CG-OE2 3.49Å; K161-E164 PolarHBondContact N-OE2 3.38Å; K161-E164 IonicContact NZ-OE1 3.74Å; K161-E164 PolarHBondContact NZ-OE1 2.94Å; K161-E164 WeakPolarHBondContact O-CB 3.35Å; K161-E164 PolarHBondContact O-N 2.99Å; K161-R165 PolarHBondContact O-N 3.18Å
162P70.4Confident63.5Low105 Ų105112.6 Ų112.668%0.68259%0.59SS**Hα-helixtrans-53.2-39.3178.3-28.636.1000113.8R165 M166P162-R165 PolarHBondContact O-N 2.69Å; P162-M166 WeakPolarHBondContact O-CB 3.47Å; P162-M166 VanDerWaalsContact O-CG 3.27Å; P162-M166 WeakPolarHBondContact O-CG 3.38Å; P162-M166 PolarHBondContact O-N 2.75Å
163S73.3Confident63.9Low83 Ų83115.9 Ų115.958%0.5860%0.596SS**Hα-helixtrans-66.5-39.3175.650.90000113.7K161 L167K161-S163 PolarHBondContact O-N 2.68Å; K161-S163 VanDerWaalsContact O-N 3.17Å; S163-L167 WeakPolarHBondContact O-CB 3.44Å; S163-L167 PolarHBondContact O-N 3.32Å
164E73.3Confident64.1Low67 Ų67116 Ų11631%0.31361%0.61SS.*Hα-helixtrans-67.6-40.6175.6-66.3160.4-178.800110.1L160 K161 L167 N168L160-E164 HydrophobicContact CB-CB 4.27Å; L160-E164 HydrophobicContact CD2-CB 4.32Å; K161-E164 HydrophobicContact CB-CB 4.39Å; K161-E164 HydrophobicContact CB-CG 4.13Å; K161-E164 WeakPolarHBondContact CB-OE2 3.49Å; K161-E164 WeakPolarHBondContact CD-OE1 3.35Å; K161-E164 WeakPolarHBondContact CG-OE2 3.49Å; K161-E164 PolarHBondContact N-OE2 3.38Å; K161-E164 IonicContact NZ-OE1 3.74Å; K161-E164 PolarHBondContact NZ-OE1 2.94Å; K161-E164 WeakPolarHBondContact O-CB 3.35Å; K161-E164 PolarHBondContact O-N 2.99Å; E164-L167 PolarHBondContact O-N 3.46Å; E164-N168 WeakPolarHBondContact O-CB 3.43Å; E164-N168 PolarHBondContact O-N 3.24Å
165R72.1Confident64.1Low120 Ų120111 Ų11145%0.45358%0.584SS.*Hα-helixtrans-65.4-40.6176.8-166.1178.5-67.2154.55.3112.2K157 H158 L160 K161 P162 N168 S169K157-R165 PolarHBondContact O-NE 3.08Å; K157-R165 PolarHBondContact O-NH2 3.44Å; H158-R165 PolarHBondContact O-NH2 3.17Å; L160-R165 HydrophobicContact CB-CB 4.5Å; L160-R165 PolarHBondContact O-NH2 3.16Å; K161-R165 PolarHBondContact O-N 3.18Å; P162-R165 PolarHBondContact O-N 2.69Å; R165-N168 PolarHBondContact O-N 2.74Å; R165-S169 PolarHBondContact O-N 2.93Å; R165-S169 PolarHBondContact O-OG 3.21Å
166M68.2Low64.3Low132 Ų132110.5 Ų110.565%0.6559%0.586SS**Hα-helixtrans-63.9-45.1173.4-75-73.1-69.500112.4P162 N168 S169 F170P162-M166 WeakPolarHBondContact O-CB 3.47Å; P162-M166 VanDerWaalsContact O-CG 3.27Å; P162-M166 WeakPolarHBondContact O-CG 3.38Å; P162-M166 PolarHBondContact O-N 2.75Å; M166-N168 VanDerWaalsContact C-N 3.27Å; M166-N168 PolarHBondContact O-N 3.45Å; M166-S169 PolarHBondContact O-N 2.82Å; M166-S169 PolarHBondContact O-OG 2.88Å; M166-F170 PolarHBondContact O-N 3.36Å; M166-F170 VanDerWaalsContact O-N 3.14Å
167L65.4Low64.3Low116 Ų116112.3 Ų112.361%0.60759%0.593SS**Hα-helixtrans-63.1-36.5177.6-173.166.2000111.3S163 E164 F170 L171S163-L167 WeakPolarHBondContact O-CB 3.44Å; S163-L167 PolarHBondContact O-N 3.32Å; E164-L167 PolarHBondContact O-N 3.46Å; L167-F170 PolarHBondContact O-N 2.86Å; L167-L171 HydrophobicContact CG-CD1 4.42Å; L167-L171 WeakPolarHBondContact O-CD1 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å
168N64.9Low65Low104 Ų104109.4 Ų109.456%0.55659%0.586SS**Hα-helixtrans-72.4-22.8177.7-114.4102.8000114.5E164 R165 M166E164-N168 WeakPolarHBondContact O-CB 3.43Å; E164-N168 PolarHBondContact O-N 3.24Å; R165-N168 PolarHBondContact O-N 2.74Å; M166-N168 VanDerWaalsContact C-N 3.27Å; M166-N168 PolarHBondContact O-N 3.45Å
169S62.6Low65.1Low74 Ų74105.8 Ų105.852%0.51758%0.575SS.*Hα-helixtrans-80.4-30.8169.242.30000112.6R165 M166 L171R165-S169 PolarHBondContact O-N 2.93Å; R165-S169 PolarHBondContact O-OG 3.21Å; M166-S169 PolarHBondContact O-N 2.82Å; M166-S169 PolarHBondContact O-OG 2.88Å; S169-L171 PolarHBondContact O-N 3.16Å; S169-L171 VanDerWaalsContact O-N 3.14Å
170F56.3Low65.1Low184 Ų184103.3 Ų103.381%0.80757%0.569SS**THydrogen-bonded Turntrans-77.19180-139.3-88.5000114.2M166 L167M166-F170 PolarHBondContact O-N 3.36Å; M166-F170 VanDerWaalsContact O-N 3.14Å; L167-F170 PolarHBondContact O-N 2.86Å
171L56.4Low65.3Low130 Ų130106 Ų10668%0.68158%0.583SS**THydrogen-bonded Turntrans-121.9-3.7-177-76.3169.2000113.7L167 S169L167-L171 HydrophobicContact CG-CD1 4.42Å; L167-L171 WeakPolarHBondContact O-CD1 3.25Å; L167-L171 WeakPolarHBondContact O-CG 3.42Å; S169-L171 PolarHBondContact O-N 3.16Å; S169-L171 VanDerWaalsContact O-N 3.14Å
172D57.1Low65.6Low147 Ų147102.8 Ų102.879%0.78658%0.58SS**THydrogen-bonded Turntrans-103-18.7-174.4-133.419.8000112.7
173E49.6Very low65.9Low159 Ų159103.5 Ų103.574%0.74357%0.569SS**  trans-109.5107.9174.1-64.9-166.1152.200110.4D175E173-D175 PolarHBondContact O-N 2.81Å; E173-D175 VanDerWaalsContact O-N 3.09Å
174G47Very low65.9Low88 Ų88103.2 Ų103.291%0.90756%0.564SS**  trans-82.339.9-178.700000114.2
175D52.6Low66.1Low77 Ų77106 Ų10641%0.41258%0.576SS.*  trans-76134.9178.2-95.1-18.9000111.5E173 R183E173-D175 PolarHBondContact O-N 2.81Å; E173-D175 VanDerWaalsContact O-N 3.09Å; D175-R183 IonicContact OD1-NH2 3.68Å; D175-R183 IonicContact OD2-CZ 3.17Å; D175-R183 IonicContact OD2-NH1 2.71Å; D175-R183 PolarHBondContact OD2-NH1 3.26Å; D175-R183 IonicContact OD2-NH2 2.72Å; D175-R183 PolarHBondContact OD2-NH2 3.11Å
176D67Low66.3Low97 Ų97103 Ų10352%0.51958%0.577SS.*  trans-64.7133.9177.5-178.966.2000110.7D178 T179 A180D176-D178 VanDerWaalsContact C-N 3.3Å; D176-D178 PolarHBondContact O-N 2.91Å; D176-T179 WeakPolarHBondContact O-CA 3.45Å; D176-T179 VanDerWaalsContact O-CB 3.29Å; D176-T179 WeakPolarHBondContact O-CB 3.3Å; D176-T179 PolarHBondContact O-N 2.86Å; D176-A180 PolarHBondContact O-N 3.14Å
177P67Low66.6Low92 Ų92102 Ų10260%0.59757%0.572SS**Hα-helixtrans-60.6-33.3-168.420.7-33.6000114.3T179 A180 L181P177-T179 VanDerWaalsContact C-N 3.33Å; P177-A180 PolarHBondContact O-N 3.28Å; P177-L181 WeakPolarHBondContact O-CB 3.47Å; P177-L181 PolarHBondContact O-N 2.97Å
178D72.4Confident67.2Low119 Ų119103.1 Ų103.164%0.63658%0.577SS**Hα-helixtrans-70-32.6175.3-75.4-3.6000111.2D176 A182D176-D178 VanDerWaalsContact C-N 3.3Å; D176-D178 PolarHBondContact O-N 2.91Å; D178-A182 VanDerWaalsContact O-CB 3.3Å; D178-A182 WeakPolarHBondContact O-CB 3.45Å; D178-A182 PolarHBondContact O-N 3.03Å
179T76.4Confident67.6Low68 Ų68105.6 Ų105.642%0.41759%0.59SS.*Hα-helixtrans-69.1-39.2172.9-58.50000111.4D176 P177 R183D176-T179 WeakPolarHBondContact O-CA 3.45Å; D176-T179 VanDerWaalsContact O-CB 3.29Å; D176-T179 WeakPolarHBondContact O-CB 3.3Å; D176-T179 PolarHBondContact O-N 2.86Å; P177-T179 VanDerWaalsContact C-N 3.33Å; T179-R183 WeakPolarHBondContact O-CB 3.28Å; T179-R183 PolarHBondContact O-N 3.29Å; T179-R183 VanDerWaalsContact O-N 3.08Å
180A71.8Confident67.9Low39 Ų39106 Ų10632%0.32259%0.592SS.*Hα-helixtrans-66.1-43.1174.100000111.9D176 P177 R183 V184D176-A180 PolarHBondContact O-N 3.14Å; P177-A180 PolarHBondContact O-N 3.28Å; A180-R183 PolarHBondContact O-N 3.43Å; A180-V184 WeakPolarHBondContact O-CG2 3.45Å; A180-V184 PolarHBondContact O-N 3.19Å
181L74.6Confident67.6Low102 Ų102100.4 Ų100.453%0.53459%0.587SS.*Hα-helixtrans-61.6-48.9175.1-107.6166.7000111.9P177 R183 V184 E185P177-L181 WeakPolarHBondContact O-CB 3.47Å; P177-L181 PolarHBondContact O-N 2.97Å; L181-R183 VanDerWaalsContact C-N 3.26Å; L181-R183 PolarHBondContact O-N 3.15Å; L181-V184 PolarHBondContact O-N 2.96Å; L181-V184 VanDerWaalsContact O-N 3.15Å; L181-E185 PolarHBondContact O-N 2.97Å
182A78.4Confident67.2Low56 Ų5697.5 Ų97.546%0.46358%0.581SS.*Hα-helixtrans-60.7-34.617800000112.7D178 A186D178-A182 VanDerWaalsContact O-CB 3.3Å; D178-A182 WeakPolarHBondContact O-CB 3.45Å; D178-A182 PolarHBondContact O-N 3.03Å; A182-A186 VanDerWaalsContact O-CB 3.31Å; A182-A186 WeakPolarHBondContact O-CB 3.38Å; A182-A186 PolarHBondContact O-N 3.49Å
183R76.7Confident66.4Low120 Ų12098.7 Ų98.745%0.45358%0.582SS.*Hα-helixtrans-67-44.2174.7-162.5-178.2-60.2149.74.4111.6D175 T179 A180 L181 A186 E187D175-R183 IonicContact OD1-NH2 3.68Å; D175-R183 IonicContact OD2-CZ 3.17Å; D175-R183 IonicContact OD2-NH1 2.71Å; D175-R183 PolarHBondContact OD2-NH1 3.26Å; D175-R183 IonicContact OD2-NH2 2.72Å; D175-R183 PolarHBondContact OD2-NH2 3.11Å; T179-R183 WeakPolarHBondContact O-CB 3.28Å; T179-R183 PolarHBondContact O-N 3.29Å; T179-R183 VanDerWaalsContact O-N 3.08Å; A180-R183 PolarHBondContact O-N 3.43Å; L181-R183 VanDerWaalsContact C-N 3.26Å; L181-R183 PolarHBondContact O-N 3.15Å; R183-A186 PolarHBondContact O-N 2.84Å; R183-E187 PolarHBondContact O-N 2.91Å
184V75.1Confident65.8Low76 Ų7696.5 Ų96.546%0.46158%0.582SS.*Hα-helixtrans-67.4-39.9176.7172.40000112A180 L181 A186 E187 L188A180-V184 WeakPolarHBondContact O-CG2 3.45Å; A180-V184 PolarHBondContact O-N 3.19Å; L181-V184 PolarHBondContact O-N 2.96Å; L181-V184 VanDerWaalsContact O-N 3.15Å; V184-A186 VanDerWaalsContact C-N 3.34Å; V184-E187 PolarHBondContact O-N 3.08Å; V184-L188 HydrophobicContact CG1-CD1 4.09Å; V184-L188 WeakPolarHBondContact O-CB 3.44Å; V184-L188 PolarHBondContact O-N 3.36Å
185E76.6Confident65.3Low125 Ų12598.4 Ų98.458%0.58458%0.576SS**Hα-helixtrans-63.9-38.6173.7-73.4-167.8146.600111.8L181 L188 L189L181-E185 PolarHBondContact O-N 2.97Å; E185-L188 PolarHBondContact O-N 2.82Å; E185-L189 WeakPolarHBondContact O-CB 3.48Å; E185-L189 PolarHBondContact O-N 3.16Å
186A77.1Confident64.4Low57 Ų57102.7 Ų102.747%0.47160%0.599SS.*Hα-helixtrans-67.8-37.9175.400000113.1A182 R183 V184 S190A182-A186 VanDerWaalsContact O-CB 3.31Å; A182-A186 WeakPolarHBondContact O-CB 3.38Å; A182-A186 PolarHBondContact O-N 3.49Å; R183-A186 PolarHBondContact O-N 2.84Å; V184-A186 VanDerWaalsContact C-N 3.34Å; A186-S190 VanDerWaalsContact O-CB 3.31Å; A186-S190 WeakPolarHBondContact O-CB 3.47Å; A186-S190 PolarHBondContact O-N 3.4Å; A186-S190 PolarHBondContact O-OG 2.85Å
187E74.5Confident63Low113 Ų113103.6 Ų103.653%0.52861%0.613SS.*Hα-helixtrans-64.1-41.7170.9-73.5-173149.900111.4R183 V184 S190 G191R183-E187 PolarHBondContact O-N 2.91Å; V184-E187 PolarHBondContact O-N 3.08Å; E187-S190 PolarHBondContact O-OG 3.39Å; E187-G191 PolarHBondContact O-N 3.4Å
188L76.5Confident61.4Low138 Ų138106.5 Ų106.572%0.72362%0.623SS**Hα-helixtrans-65.4-41.1176.1-110.6119.2000113.3V184 E185V184-L188 HydrophobicContact CG1-CD1 4.09Å; V184-L188 WeakPolarHBondContact O-CB 3.44Å; V184-L188 PolarHBondContact O-N 3.36Å; E185-L188 PolarHBondContact O-N 2.82Å
189L74.1Confident59.7Low157 Ų157107.5 Ų107.582%0.82263%0.629SS**Hα-helixtrans-74.2-32.4179.7-102.367.9000113.3E185 G191E185-L189 WeakPolarHBondContact O-CB 3.48Å; E185-L189 PolarHBondContact O-N 3.16Å; L189-G191 VanDerWaalsContact C-N 3.35Å
190S69.3Low57.6Low81 Ų81111.2 Ų111.257%0.56664%0.644SS**Hα-helixtrans-78-19.9179.259.10000113.3A186 E187 A192A186-S190 VanDerWaalsContact O-CB 3.31Å; A186-S190 WeakPolarHBondContact O-CB 3.47Å; A186-S190 PolarHBondContact O-N 3.4Å; A186-S190 PolarHBondContact O-OG 2.85Å; E187-S190 PolarHBondContact O-OG 3.39Å; S190-A192 PolarHBondContact O-N 3.03Å; S190-A192 VanDerWaalsContact O-N 3.09Å
191G50Low55.9Low68 Ų68115 Ų11570%0.70166%0.663SS**  trans64.910.5177.100000114.5E187 L189E187-G191 PolarHBondContact O-N 3.4Å; L189-G191 VanDerWaalsContact C-N 3.35Å
192A46.7Very low54.1Low68 Ų68116.5 Ų116.556%0.56267%0.671SS**  trans-88.7113.6-17400000110.9S190S190-A192 PolarHBondContact O-N 3.03Å; S190-A192 VanDerWaalsContact O-N 3.09Å
193Q41Very low52.2Low172 Ų172121.5 Ų121.580%0.80469%0.685SS**  trans-64.8132.3164.7-72.9-131.4-6800109.7T195Q193-T195 PolarHBondContact O-N 3.34Å
194P37.7Very low50.2Low114 Ų114121.8 Ų121.874%0.7470%0.696SS**  trans-66.7107.9177.525.9-33.3000110.2
195T36.7Very low48.4Very low127 Ų127124.2 Ų124.278%0.77971%0.706SS**  trans-98.8129.9175.151.40000110.5Q193 S197Q193-T195 PolarHBondContact O-N 3.34Å; T195-S197 PolarHBondContact O-N 3.09Å
196N33.8Very low46.5Very low168 Ų168124.3 Ų124.390%0.89872%0.715SS**  trans-75.3111-178.9-74.3-45000111.8
197S36.8Very low44.4Very low116 Ų116127 Ų12781%0.81173%0.729SS**  trans-177.4156.5139.441.90000113.4T195T195-S197 PolarHBondContact O-N 3.09Å
198N33.3Very low42.5Very low152 Ų152127.5 Ų127.581%0.81374%0.74SS**  trans-92.8143.5-170.8-41.5-69.5000113.3
199N36.5Very low40.6Very low141 Ų141127.2 Ų127.275%0.75474%0.739SS**  trans153.8116.8136.4-77-17.3000110.2
200I33.1Very low38.9Very low145 Ų145127.7 Ų127.774%0.74474%0.737SS**  80.6144.876.8-65.8167.9000113.2
201V35Very low37.2Very low119 Ų119131.4 Ų131.472%0.72175%0.749SS**  trans81.1109.8-176.8-158.10000112.3
202L37.7Very low36.7Very low134 Ų134133.9 Ų133.970%0.70275%0.753SS**  70.413558.8-61.1168.2000112.3
203E37.6Very low36.2Very low160 Ų160134.7 Ų134.775%0.74876%0.76SS**  cis-135.9-147.7-12.6-79.4128.8152.900106.8
204D35.9Very low36.1Very low127 Ų127134.2 Ų134.268%0.67976%0.763SS**  cis-163.4156.63.6-158.821.5000115.7
205N37.2Very low36.2Very low127 Ų127137 Ų13768%0.67977%0.766SS**  trans36.9132149.3-82.1-40.3000128.2
206V35Very low36.5Very low127 Ų127135.5 Ų135.577%0.7777%0.767SS**  95.3149.5126.6166.40000123.4
207C33.1Very low36.9Very low113 Ų113135.7 Ų135.776%0.76476%0.762SS**  trans75.7120.9180-83.30000117.4
208V34.5Very low37.2Very low124 Ų124137 Ų13775%0.75277%0.765SS**  cis89.3109.722.7-173.80000115.4
209D38.5Very low37.5Very low132 Ų132133.8 Ų133.871%0.70676%0.759SS**  trans155.4151.4149.1-85-16.4000110.1
210Q37.8Very low37.7Very low167 Ų167132.8 Ų132.878%0.7876%0.758SS**  cis-159.5164.5-21.2-115.4170.65100109.7
211L34.1Very low37.9Very low158 Ų158133.5 Ų133.583%0.82776%0.763SS**  trans-107.3154.4176.7-81.3163.6000110.8
212P39.5Very low38.2Very low121 Ų121133.1 Ų133.179%0.78677%0.773SS**  -144.8173.982.632.2-10.6000113.9
213A35.1Very low38.2Very low85 Ų85131.8 Ų131.870%0.70278%0.781SS**  cis96108.711.500000117.9
214D39.7Very low38.3Very low161 Ų161129.9 Ų129.986%0.86179%0.786SS**  trans-158.8150.3160.9-94.3-32.9000105.6
215E38.9Very low38.7Very low173 Ų173131.3 Ų131.381%0.80879%0.793SS**  cis159.899-22.4-104.1-109.9125.100105.7
216A43Very low38.8Very low96 Ų96131.6 Ų131.679%0.79380%0.802SS**  trans-162.170.5172.700000114.8
217Q43.4Very low39Very low172 Ų172132 Ų13280%0.80480%0.8SS**  trans43.8112.8134.5-63.6-177.211.900120.2
218V41.9Very low39.4Very low144 Ų144131.4 Ų131.487%0.87379%0.793SS**  76.6130.682.81610000113.4
219A40.6Very low39.7Very low83 Ų83137.2 Ų137.269%0.68680%0.801SS**  cis-159.4-177.2-12.100000107.2
220T39.6Very low39.9Very low121 Ų121139.2 Ų139.274%0.74280%0.804SS**  cis-161.8142.537.649.50000113.7
221D38.7Very low40.1Very low159 Ų159142.3 Ų142.385%0.8581%0.808SS**  trans30.5113.9141.5-49.3-25.4000123
222A40.3Very low40.3Very low111 Ų111144.6 Ų144.692%0.91781%0.812SS**  -167.9125.2127.300000110.7
223A37.6Very low40.6Very low106 Ų106147.8 Ų147.888%0.87682%0.816SS**  trans-121.5139.7-175.500000113.6
224S40.8Very low41.3Very low121 Ų121150 Ų15085%0.84682%0.821SS**  trans-165.8155.8157.248.30000112.1
225D43.6Very low41.9Very low157 Ų157146.5 Ų146.584%0.8481%0.814SS**  trans-66.3140.9-156.8-59.4-84.9000118.6N227D225-N227 PolarHBondContact O-N 2.76Å
226P39.8Very low42.7Very low132 Ų132144 Ų14486%0.85781%0.813SS**  trans-97.255.2178.939.6-37000114.8
227N38.9Very low43.2Very low136 Ų136146.8 Ų146.873%0.72781%0.814SS**  trans-154.890.6163.2-151.6-21.4000115.8D225D225-N227 PolarHBondContact O-N 2.76Å
228T41Very low43.8Very low100 Ų100143.5 Ų143.561%0.61381%0.807SS**  trans-135.3120.6157.549.10000112.3K230T228-K230 VanDerWaalsContact C-N 3.3Å; T228-K230 PolarHBondContact O-N 2.87Å; T228-K230 VanDerWaalsContact OG1-CE 3.29Å; T228-K230 WeakPolarHBondContact OG1-CE 3.36Å
229R40.5Very low44.5Very low247 Ų247140.9 Ų140.993%0.93280%0.8SS**  trans-68.578.8174.7-66.3176.6176.6173.9-2.3111.2R231R229-R231 PolarHBondContact O-N 3.5Å
230K43.7Very low45.6Very low173 Ų173142 Ų14275%0.75279%0.787SS**  trans-89.4103.2-177.5-76.9175.4179.3165.70112.2T228T228-K230 VanDerWaalsContact C-N 3.3Å; T228-K230 PolarHBondContact O-N 2.87Å; T228-K230 VanDerWaalsContact OG1-CE 3.29Å; T228-K230 WeakPolarHBondContact OG1-CE 3.36Å
231R42.1Very low47.1Very low233 Ų233144 Ų14488%0.87978%0.782SS**  trans40.8132.7149.2-78.7175.7155.8157.3-7.7118.9R229 Q233R229-R231 PolarHBondContact O-N 3.5Å; R231-Q233 PolarHBondContact O-N 3.35Å
232K38.4Very low48.7Very low206 Ų206144.1 Ų144.190%0.89678%0.778SS**  trans-41.9114.8147.8-74.1178.5174.2177.50109.2T234K232-T234 PolarHBondContact O-N 3.36Å
233Q46.2Very low50.4Low187 Ų187141.9 Ų141.987%0.87475%0.749SS**  trans-65.1119.7157.6-74.7-178.3-16.800106.4R231 A235R231-Q233 PolarHBondContact O-N 3.35Å; Q233-A235 PolarHBondContact O-N 3.39Å; Q233-A235 VanDerWaalsContact O-N 3.11Å
234T49.7Very low52.6Low133 Ų133140 Ų14082%0.81673%0.725SS**  trans-58.1115.516636.80000107.3K232K232-T234 PolarHBondContact O-N 3.36Å
235A51.9Low54.6Low87 Ų87138.8 Ų138.872%0.71971%0.706SS**PPolyproline II helixtrans-51.7137.2170.400000108.3Q233 L237Q233-A235 PolarHBondContact O-N 3.39Å; Q233-A235 VanDerWaalsContact O-N 3.11Å; A235-L237 PolarHBondContact O-N 3.23Å
236P56.4Low56.7Low119 Ų119135.6 Ų135.677%0.77370%0.696SS**PPolyproline II helixtrans-55.5145.4-179.923.5-33.4000109.7
237L52.6Low58.9Low156 Ų156135.7 Ų135.782%0.81768%0.683SS**PPolyproline II helixtrans-50.4145.9167.4-67.9174.9000108.6A235 A239A235-L237 PolarHBondContact O-N 3.23Å; L237-A239 PolarHBondContact O-N 3.47Å
238P56.4Low61.3Low103 Ų103129.5 Ų129.567%0.66965%0.65SS**  trans-69.478.7-170.529.1-36.2000111.5
239A55.7Low63.8Low88 Ų88126.3 Ų126.373%0.72763%0.63SS**  trans-57143.317100000109.3L237 Y241L237-A239 PolarHBondContact O-N 3.47Å; A239-Y241 PolarHBondContact O-N 2.77Å
240W64.5Low66.4Low106 Ų106115.9 Ų115.940%0.40259%0.592SS.*  trans-59.1121.1178-177.7-103.2000109.9E242 F335 P337 F341W240-E242 PolarHBondContact O-N 3.32Å; W240-E242 VanDerWaalsContact O-N 3.15Å; W240-F335 HydrophobicContact CZ2-CB 4.05Å; W240-F335 PolarHBondContact NE1-O 2.84Å; W240-P337 HydrophobicContact CB-CG 4.38Å; W240-P337 HydrophobicContact CD2-CB 3.74Å; W240-P337 HydrophobicContact CD2-CG 4.19Å; W240-P337 HydrophobicContact CE3-CB 3.76Å; W240-P337 HydrophobicContact CG-CB 4.11Å; W240-P337 HydrophobicContact CG-CG 4.07Å; W240-P337 HydrophobicContact CH2-CB 4.49Å; W240-P337 HydrophobicContact CZ2-CB 4.48Å; W240-P337 HydrophobicContact CZ3-CB 4.15Å; W240-F341 HydrophobicContact CZ3-CD2 4.14Å; W240-F341 HydrophobicContact CZ3-CG 4.42Å
241Y70.2Confident68.8Low164 Ų164107.7 Ų107.764%0.64356%0.556SS**  trans-79.899.5177.5-178.5-101.9000109.2A239 I243A239-Y241 PolarHBondContact O-N 2.77Å; Y241-I243 HydrophobicContact CD1-CG1 3.85Å; Y241-I243 HydrophobicContact CE1-CB 4.4Å; Y241-I243 HydrophobicContact CE1-CG1 3.92Å; Y241-I243 PolarHBondContact O-N 3.15Å
242E72.3Confident71.4Confident161 Ų161100 Ų10075%0.75253%0.528SS*.  trans-64.2123.4166-171.8157.5-13900109.1W240W240-E242 PolarHBondContact O-N 3.32Å; W240-E242 VanDerWaalsContact O-N 3.15Å
243I77.4Confident74.1Confident64 Ų6490.1 Ų90.133%0.32849%0.485SS..  trans-88.6120.3-177.3-57.8173.4000107.7Y241 E245 N248 F335Y241-I243 HydrophobicContact CD1-CG1 3.85Å; Y241-I243 HydrophobicContact CE1-CB 4.4Å; Y241-I243 HydrophobicContact CE1-CG1 3.92Å; Y241-I243 PolarHBondContact O-N 3.15Å; I243-E245 PolarHBondContact O-N 3.43Å; I243-N248 HydrophobicContact CG2-CB 4.05Å; I243-F335 HydrophobicContact CD1-CD2 4.18Å
244D83.6Confident76.4Confident68 Ų6882.8 Ų82.836%0.36445%0.454SS..  trans-43.8124.7172.7-61.1-39.6000110.7S246 K247 N248D244-S246 PolarHBondContact O-N 3.44Å; D244-K247 HydrophobicContact CB-CB 4.25Å; D244-K247 HydrophobicContact CB-CD 4.14Å; D244-K247 HydrophobicContact CB-CG 4.18Å; D244-K247 PolarHBondContact O-N 2.86Å; D244-K247 WeakPolarHBondContact OD2-CD 3.45Å; D244-K247 VanDerWaalsContact OD2-CE 3.3Å; D244-K247 WeakPolarHBondContact OD2-CE 3.4Å; D244-K247 IonicContact OD2-NZ 2.91Å; D244-K247 PolarHBondContact OD2-NZ 2.81Å; D244-N248 PolarHBondContact O-N 2.89Å; D244-N248 VanDerWaalsContact O-N 3.16Å
245E83.1Confident78.4Confident95 Ų9577.9 Ų77.944%0.44443%0.43SS..THydrogen-bonded Turntrans-57.8-27.4-178.5-62.4-166.8170.800112.3I243 K247 R332 K334I243-E245 PolarHBondContact O-N 3.43Å; E245-K247 VanDerWaalsContact C-N 3.32Å; E245-K247 PolarHBondContact O-N 3.49Å; E245-R332 VanDerWaalsContact O-CD 3.24Å; E245-R332 WeakPolarHBondContact O-CD 3.46Å; E245-K334 VanDerWaalsContact OE1-CE 3.27Å; E245-K334 WeakPolarHBondContact OE1-CE 3.18Å; E245-K334 IonicContact OE1-NZ 2.66Å; E245-K334 PolarHBondContact OE1-NZ 2.9Å; E245-K334 IonicContact OE2-NZ 2.77Å
246S85.6Confident80.4Confident90 Ų9073.9 Ų73.963%0.62940%0.396SS*.THydrogen-bonded Turntrans-74.7-11.6175.758.90000115.1D244D244-S246 PolarHBondContact O-N 3.44Å
247K86.1Confident82Confident133 Ų13368.4 Ų68.458%0.57836%0.361SS*.THydrogen-bonded Turntrans-118.2-3.4179.2-60.8174.7-167.61520113D244 E245 T249 V307D244-K247 HydrophobicContact CB-CB 4.25Å; D244-K247 HydrophobicContact CB-CD 4.14Å; D244-K247 HydrophobicContact CB-CG 4.18Å; D244-K247 PolarHBondContact O-N 2.86Å; D244-K247 WeakPolarHBondContact OD2-CD 3.45Å; D244-K247 VanDerWaalsContact OD2-CE 3.3Å; D244-K247 WeakPolarHBondContact OD2-CE 3.4Å; D244-K247 IonicContact OD2-NZ 2.91Å; D244-K247 PolarHBondContact OD2-NZ 2.81Å; E245-K247 VanDerWaalsContact C-N 3.32Å; E245-K247 PolarHBondContact O-N 3.49Å; K247-T249 PolarHBondContact O-N 2.83Å; K247-V307 WeakPolarHBondContact O-CG2 3.48Å
248N90.9Very high83.7Confident6 Ų663.8 Ų63.83%0.03234%0.34CS..  trans-72.2119.4-176.4-170.20.6000111.2I243 D244 H250 A333I243-N248 HydrophobicContact CG2-CB 4.05Å; D244-N248 PolarHBondContact O-N 2.89Å; D244-N248 VanDerWaalsContact O-N 3.16Å; N248-H250 VanDerWaalsContact C-N 3.33Å; N248-H250 WeakPolarHBondContact OD1-CB 3.5Å; N248-H250 PolarHBondContact OD1-N 3.25Å; N248-A333 PolarHBondContact ND2-O 3.33Å
249T93.5Very high85.3Confident33 Ų3364 Ų6420%0.20234%0.34CS..  trans-88.62.6176.3560000113.8K247 Y304 V307K247-T249 PolarHBondContact O-N 2.83Å; T249-Y304 WeakPolarHBondContact CB-O 3.27Å; T249-Y304 PolarHBondContact O-N 3Å; T249-V307 HydrophobicContact CG2-CG2 3.62Å
250H94Very high87Confident29 Ų2960.1 Ų60.113%0.13431%0.307CS..EExtended strand (participates in β ladder)trans-99.9136-178-71-74.7000112.9N248 R285 C302 C303 A333 F335N248-H250 VanDerWaalsContact C-N 3.33Å; N248-H250 WeakPolarHBondContact OD1-CB 3.5Å; N248-H250 PolarHBondContact OD1-N 3.25Å; H250-R285 PolarHBondContact CE1-NH2 2.87Å; H250-C302 WeakPolarHBondContact CA-O 3.42Å; H250-C302 PolarHBondContact ND1-O 3.02Å; H250-C303 VanDerWaalsContact CE1-CB 3.46Å; H250-C303 WeakPolarHBondContact CE1-CB 3.18Å; H250-C303 PolarHBondContact CE1-SG 3.48Å; H250-C303 WeakPolarHBondContact ND1-CB 3.45Å; H250-A333 HydrophobicContact CB-CB 3.79Å; H250-A333 PolarHBondContact O-N 3.27Å; H250-F335 HydrophobicContact CB-CE2 3.61Å; H250-F335 HydrophobicContact CB-CZ 3.54Å; H250-F335 AromaticContact CD2-CE2 3.61Å; H250-F335 AromaticContact CD2-CZ 3.68Å; H250-F335 AromaticContact CG-CE2 3.75Å; H250-F335 AromaticContact CG-CZ 3.54Å
251V95.3Very high88.3Confident0 Ų058.2 Ų58.20%031%0.307CS..EExtended strand (participates in β ladder)trans-114.4134.5178.5-171.50000109V253 M269 R301 C302 Y304 V310 V330V251-V253 HydrophobicContact CG1-CG2 4.04Å; V251-M269 HydrophobicContact CB-CE 4.04Å; V251-M269 HydrophobicContact CG1-CE 3.92Å; V251-R301 CarbonylContact O-C 3.6Å; V251-R301 VanDerWaalsContact O-CA 3.23Å; V251-R301 WeakPolarHBondContact O-CA 3.49Å; V251-C302 HydrophobicContact CB-CB 4.49Å; V251-C302 PolarHBondContact N-O 2.95Å; V251-C302 PolarHBondContact O-N 2.81Å; V251-Y304 HydrophobicContact CG2-CD2 3.75Å; V251-Y304 HydrophobicContact CG2-CE2 3.65Å; V251-V310 HydrophobicContact CG2-CB 4.1Å; V251-V310 HydrophobicContact CG2-CG1 3.93Å; V251-V310 HydrophobicContact CG2-CG2 3.72Å; V251-V330 HydrophobicContact CG1-CG1 3.27Å
252Y95.8Very high89.3Confident71 Ų7153.6 Ų53.628%0.27829%0.293SS..EExtended strand (participates in β ladder)trans-100.1137.8167.5-176.8-104000108.4Y289 D299 G300 E331Y252-Y289 HydrophobicContact CD2-CE2 4.42Å; Y252-Y289 AromaticContact CE2-CE2 3.98Å; Y252-Y289 HydrophobicContact CE2-CE2 3.98Å; Y252-D299 HydrophobicContact CE2-CB 4.27Å; Y252-D299 WeakPolarHBondContact OH-CB 3.43Å; Y252-D299 PolarHBondContact OH-OD2 2.61Å; Y252-D299 VanDerWaalsContact OH-OD2 3.11Å; Y252-G300 WeakPolarHBondContact CD2-O 3.37Å; Y252-E331 PolarHBondContact N-O 3.11Å; Y252-E331 PolarHBondContact O-N 3.3Å
253V95.3Very high90.3Very high0 Ų053.8 Ų53.80%029%0.294CS..EExtended strand (participates in β ladder)trans-131.4131.8-177-174.50000107.9V251 L256 F265 M269 D299 G300 I328 H329 V330V251-V253 HydrophobicContact CG1-CG2 4.04Å; V253-L256 HydrophobicContact CG1-CD1 4.2Å; V253-L256 HydrophobicContact CG1-CD2 4.06Å; V253-L256 HydrophobicContact CG1-CG 4.1Å; V253-F265 HydrophobicContact CB-CE2 4Å; V253-F265 HydrophobicContact CB-CZ 4.04Å; V253-F265 HydrophobicContact CG1-CE2 4.09Å; V253-F265 HydrophobicContact CG2-CE2 4Å; V253-F265 HydrophobicContact CG2-CZ 4.01Å; V253-M269 HydrophobicContact CG2-CE 3.71Å; V253-M269 HydrophobicContact CG2-SD 3.85Å; V253-D299 CarbonylContact O-C 3.52Å; V253-D299 VanDerWaalsContact O-CA 3.29Å; V253-D299 WeakPolarHBondContact O-CA 3.41Å; V253-G300 PolarHBondContact N-O 3.36Å; V253-G300 PolarHBondContact O-N 2.81Å; V253-I328 HydrophobicContact CG1-CG2 3.54Å; V253-H329 WeakPolarHBondContact CA-O 3.22Å; V253-V330 HydrophobicContact CG1-CG2 4.44Å
254S94.6Very high91Very high33 Ų3354 Ų5423%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-132.9168176.858.10000110.6L256 G298 I328 H329S254-L256 VanDerWaalsContact C-N 3.35Å; S254-G298 CarbonylContact C-O 3.46Å; S254-G298 WeakPolarHBondContact CA-O 3.33Å; S254-I328 WeakPolarHBondContact O-CA 3.34Å; S254-H329 PolarHBondContact N-O 3.11Å; S254-H329 PolarHBondContact O-N 3.43Å
255G92.2Very high91.5Very high29 Ų2950.8 Ų50.830%0.29928%0.277SS..  trans78.915.7-176.300000114.4G298G255-G298 PolarHBondContact N-O 2.92Å; G255-G298 VanDerWaalsContact N-O 3.09Å
256L92.4Very high92Very high4 Ų447.7 Ų47.72%0.02127%0.265CS..  trans-72.4148.1170.9-58.9169.7000110.2V253 S254 I260 F265 L268 L288 G298 I328V253-L256 HydrophobicContact CG1-CD1 4.2Å; V253-L256 HydrophobicContact CG1-CD2 4.06Å; V253-L256 HydrophobicContact CG1-CG 4.1Å; S254-L256 VanDerWaalsContact C-N 3.35Å; L256-I260 HydrophobicContact CB-CG2 4.09Å; L256-F265 HydrophobicContact CD1-CD2 3.87Å; L256-F265 HydrophobicContact CD1-CE2 3.79Å; L256-F265 HydrophobicContact CD1-CG 4.41Å; L256-F265 HydrophobicContact CD1-CZ 4.24Å; L256-F265 HydrophobicContact CD2-CD2 4.36Å; L256-L268 HydrophobicContact CD2-CD2 4.04Å; L256-L288 HydrophobicContact CD1-CD1 4.02Å; L256-G298 WeakPolarHBondContact CB-O 3.48Å; L256-G298 PolarHBondContact N-O 3Å; L256-G298 WeakPolarHBondContact O-CA 3.13Å; L256-I328 HydrophobicContact CD2-CG1 4.29Å
257P91.1Very high92.4Very high3 Ų346.3 Ų46.32%0.01926%0.259CS..  trans-71.7151.8176.530.3-35.5000111.9T259 I260 Y322 Y326P257-T259 PolarHBondContact O-N 2.92Å; P257-I260 HydrophobicContact CG-CB 4.26Å; P257-I260 WeakPolarHBondContact O-CB 3.37Å; P257-I260 VanDerWaalsContact O-CG2 3.23Å; P257-I260 WeakPolarHBondContact O-CG2 3.43Å; P257-I260 PolarHBondContact O-N 2.96Å; P257-Y322 HydrophobicContact CG-CD1 3.8Å; P257-Y322 HydrophobicContact CG-CE1 4Å; P257-Y326 HydrophobicContact CB-CD1 4.07Å; P257-Y326 HydrophobicContact CB-CD2 4.18Å; P257-Y326 HydrophobicContact CB-CE1 4.19Å; P257-Y326 HydrophobicContact CB-CE2 4.3Å; P257-Y326 HydrophobicContact CB-CG 4.07Å
258P87.8Confident92.7Very high59 Ų5940.1 Ų40.138%0.38323%0.233SC..THydrogen-bonded Turntrans-69.55.2178.530.2-36.7000114.3I295 P296P258-I295 HydrophobicContact CB-CG2 3.91Å; P258-P296 WeakPolarHBondContact CA-O 3.26Å; P258-P296 WeakPolarHBondContact O-CD 3.31Å; P258-P296 VanDerWaalsContact O-CG 3.32Å; P258-P296 WeakPolarHBondContact O-CG 3.5Å
259T90Very high92.9Very high109 Ų10939.9 Ų39.967%0.66923%0.231SC*.THydrogen-bonded Turntrans-104.6-1.817360.30000113.2P257 T261P257-T259 PolarHBondContact O-N 2.92Å; T259-T261 PolarHBondContact O-N 3.32Å
260I90.5Very high92.9Very high6 Ų641.3 Ų41.33%0.03124%0.242CC..  trans-63.3126.7-174.2-166.972.4000111.3L256 P257 E264 F265 L288 P296 Y322L256-I260 HydrophobicContact CB-CG2 4.09Å; P257-I260 HydrophobicContact CG-CB 4.26Å; P257-I260 WeakPolarHBondContact O-CB 3.37Å; P257-I260 VanDerWaalsContact O-CG2 3.23Å; P257-I260 WeakPolarHBondContact O-CG2 3.43Å; P257-I260 PolarHBondContact O-N 2.96Å; I260-E264 HydrophobicContact CD1-CB 3.68Å; I260-E264 HydrophobicContact CG1-CB 4.4Å; I260-F265 HydrophobicContact CG1-CB 4.19Å; I260-L288 HydrophobicContact CG2-CD1 3.71Å; I260-L288 HydrophobicContact CG2-CD2 3.78Å; I260-L288 HydrophobicContact CG2-CG 4.37Å; I260-L288 WeakPolarHBondContact O-CD2 3.41Å; I260-P296 HydrophobicContact CG2-CB 4.16Å; I260-P296 HydrophobicContact CG2-CG 4.12Å; I260-Y322 HydrophobicContact CD1-CE1 3.66Å; I260-Y322 HydrophobicContact CD1-CE2 4.34Å; I260-Y322 WeakPolarHBondContact CD1-OH 3.45Å
261T92.4Very high92.8Very high65 Ų6546.7 Ų46.740%0.39927%0.265SS..  trans-84.8155.317359.60000111.9T259 E263 E264 F265T259-T261 PolarHBondContact O-N 3.32Å; T261-E263 PolarHBondContact O-N 3.25Å; T261-E264 WeakPolarHBondContact CB-OE1 3.44Å; T261-E264 WeakPolarHBondContact CG2-OE1 3.4Å; T261-E264 PolarHBondContact N-OE1 2.72Å; T261-E264 PolarHBondContact O-N 3.48Å; T261-E264 WeakPolarHBondContact OG1-CB 3.48Å; T261-E264 VanDerWaalsContact OG1-CG 3.24Å; T261-E264 WeakPolarHBondContact OG1-CG 3.42Å; T261-E264 PolarHBondContact OG1-N 3.48Å; T261-E264 VanDerWaalsContact OG1-N 3.1Å; T261-E264 PolarHBondContact OG1-OE1 2.74Å; T261-F265 PolarHBondContact O-N 2.97Å
262D91Very high92.7Very high68 Ų6846.8 Ų46.836%0.36427%0.266SS..Hα-helixtrans-62.3-26.6174.4-68.1-73.3000111.8S266 L288 K290D262-S266 WeakPolarHBondContact O-CB 3.27Å; D262-S266 PolarHBondContact O-N 3.31Å; D262-S266 VanDerWaalsContact O-N 3.09Å; D262-L288 VanDerWaalsContact OD1-CB 3.24Å; D262-L288 WeakPolarHBondContact OD1-CB 3.41Å; D262-K290 IonicContact OD2-NZ 3.16Å; D262-K290 PolarHBondContact OD2-NZ 3.1Å
263E93.2Very high92.5Very high165 Ų16544.4 Ų44.477%0.77126%0.263SS*.Hα-helixtrans-73.3-46.8172.9-65.2-170.6178.400112.8T261 F265 S266 A267T261-E263 PolarHBondContact O-N 3.25Å; E263-F265 VanDerWaalsContact C-N 3.32Å; E263-F265 PolarHBondContact O-N 2.8Å; E263-S266 WeakPolarHBondContact O-CB 3.44Å; E263-S266 PolarHBondContact O-N 2.09Å; E263-A267 PolarHBondContact O-N 2.83Å
264E93.2Very high92.4Very high69 Ų6946.8 Ų46.832%0.32228%0.278SS..Hα-helixtrans-59.1-43.3173.3-81.3166.5-95.300111.8I260 T261 S266 A267 L268 Y322I260-E264 HydrophobicContact CD1-CB 3.68Å; I260-E264 HydrophobicContact CG1-CB 4.4Å; T261-E264 WeakPolarHBondContact CB-OE1 3.44Å; T261-E264 WeakPolarHBondContact CG2-OE1 3.4Å; T261-E264 PolarHBondContact N-OE1 2.72Å; T261-E264 PolarHBondContact O-N 3.48Å; T261-E264 WeakPolarHBondContact OG1-CB 3.48Å; T261-E264 VanDerWaalsContact OG1-CG 3.24Å; T261-E264 WeakPolarHBondContact OG1-CG 3.42Å; T261-E264 PolarHBondContact OG1-N 3.48Å; T261-E264 VanDerWaalsContact OG1-N 3.1Å; T261-E264 PolarHBondContact OG1-OE1 2.74Å; E264-S266 VanDerWaalsContact C-N 3.3Å; E264-S266 PolarHBondContact O-N 3.38Å; E264-A267 PolarHBondContact O-N 3.4Å; E264-L268 WeakPolarHBondContact O-CB 3.28Å; E264-L268 PolarHBondContact O-N 3.46Å; E264-Y322 PolarHBondContact OE2-OH 3.17Å
265F94.2Very high92.4Very high0 Ų045.8 Ų45.80%027%0.269CS..Hα-helixtrans-65.6-35.5178.1-173.6-138.5000111.5V253 L256 I260 T261 E263 L268 M269 I286V253-F265 HydrophobicContact CB-CE2 4Å; V253-F265 HydrophobicContact CB-CZ 4.04Å; V253-F265 HydrophobicContact CG1-CE2 4.09Å; V253-F265 HydrophobicContact CG2-CE2 4Å; V253-F265 HydrophobicContact CG2-CZ 4.01Å; L256-F265 HydrophobicContact CD1-CD2 3.87Å; L256-F265 HydrophobicContact CD1-CE2 3.79Å; L256-F265 HydrophobicContact CD1-CG 4.41Å; L256-F265 HydrophobicContact CD1-CZ 4.24Å; L256-F265 HydrophobicContact CD2-CD2 4.36Å; I260-F265 HydrophobicContact CG1-CB 4.19Å; T261-F265 PolarHBondContact O-N 2.97Å; E263-F265 VanDerWaalsContact C-N 3.32Å; E263-F265 PolarHBondContact O-N 2.8Å; F265-L268 HydrophobicContact CD2-CD2 4.41Å; F265-M269 HydrophobicContact CD2-CG 3.88Å; F265-M269 HydrophobicContact CE2-CG 3.54Å; F265-M269 HydrophobicContact CE2-SD 3.92Å; F265-M269 HydrophobicContact CZ-CG 4.06Å; F265-M269 WeakPolarHBondContact O-CB 3.34Å; F265-M269 VanDerWaalsContact O-CG 3.32Å; F265-M269 WeakPolarHBondContact O-CG 3.41Å; F265-M269 PolarHBondContact O-N 3.18Å; F265-I286 HydrophobicContact CD1-CG2 3.33Å; F265-I286 HydrophobicContact CE1-CG2 3.5Å; F265-I286 HydrophobicContact CG-CG2 4.4Å
266S93.7Very high92.4Very high29 Ų2945.7 Ų45.720%0.20326%0.261CS..Hα-helixtrans-62.2-47.1169.4-170.20000112.4D262 E263 E264 L268 M269 S270 I286D262-S266 WeakPolarHBondContact O-CB 3.27Å; D262-S266 PolarHBondContact O-N 3.31Å; D262-S266 VanDerWaalsContact O-N 3.09Å; E263-S266 WeakPolarHBondContact O-CB 3.44Å; E263-S266 PolarHBondContact O-N 2.09Å; E264-S266 VanDerWaalsContact C-N 3.3Å; E264-S266 PolarHBondContact O-N 3.38Å; S266-L268 PolarHBondContact O-N 2.83Å; S266-M269 PolarHBondContact O-N 2.85Å; S266-S270 VanDerWaalsContact O-CB 3.26Å; S266-S270 WeakPolarHBondContact O-CB 3.36Å; S266-S270 PolarHBondContact O-N 2.77Å; S266-S270 PolarHBondContact O-OG 2.86Å; S266-I286 VanDerWaalsContact CB-CD1 3.44Å; S266-I286 WeakPolarHBondContact OG-CD1 3.39Å
267A93.7Very high92.4Very high61 Ų6148.6 Ų48.650%0.50428%0.277SS..Hα-helixtrans-65.6-36178.600000112.8E263 E264E263-A267 PolarHBondContact O-N 2.83Å; E264-A267 PolarHBondContact O-N 3.4Å
268L92.6Very high92.1Very high4 Ų451.2 Ų51.22%0.02129%0.289CS..Hα-helixtrans-64.3-54.6173.7177.863.6000111L256 E264 F265 S266 S270 K271 L317 M320 Y322 I328L256-L268 HydrophobicContact CD2-CD2 4.04Å; E264-L268 WeakPolarHBondContact O-CB 3.28Å; E264-L268 PolarHBondContact O-N 3.46Å; F265-L268 HydrophobicContact CD2-CD2 4.41Å; S266-L268 PolarHBondContact O-N 2.83Å; L268-S270 VanDerWaalsContact C-N 3.32Å; L268-S270 PolarHBondContact O-N 3.35Å; L268-K271 HydrophobicContact CD1-CD 4.49Å; L268-K271 WeakPolarHBondContact O-CB 3.27Å; L268-K271 WeakPolarHBondContact O-CG 3.18Å; L268-K271 PolarHBondContact O-N 3.13Å; L268-L317 HydrophobicContact CD1-CD2 4.15Å; L268-M320 HydrophobicContact CD1-SD 4.22Å; L268-Y322 HydrophobicContact CD1-CD2 4.32Å; L268-Y322 HydrophobicContact CD1-CE2 4.41Å; L268-Y322 HydrophobicContact CD2-CD2 4.21Å; L268-Y322 HydrophobicContact CD2-CE2 4.28Å; L268-I328 HydrophobicContact CD1-CD1 4.23Å; L268-I328 HydrophobicContact CD2-CD1 3.75Å
269M93.9Very high91.8Very high1 Ų150.6 Ų50.61%0.00529%0.285CS..Hα-helixtrans-70-28.1-175.9-65.7-56.6-76.700112.8V251 V253 F265 S266 K271 C272 I275 C302 Y304 L317V251-M269 HydrophobicContact CB-CE 4.04Å; V251-M269 HydrophobicContact CG1-CE 3.92Å; V253-M269 HydrophobicContact CG2-CE 3.71Å; V253-M269 HydrophobicContact CG2-SD 3.85Å; F265-M269 HydrophobicContact CD2-CG 3.88Å; F265-M269 HydrophobicContact CE2-CG 3.54Å; F265-M269 HydrophobicContact CE2-SD 3.92Å; F265-M269 HydrophobicContact CZ-CG 4.06Å; F265-M269 WeakPolarHBondContact O-CB 3.34Å; F265-M269 VanDerWaalsContact O-CG 3.32Å; F265-M269 WeakPolarHBondContact O-CG 3.41Å; F265-M269 PolarHBondContact O-N 3.18Å; S266-M269 PolarHBondContact O-N 2.85Å; M269-K271 PolarHBondContact O-N 2.88Å; M269-C272 PolarHBondContact O-N 2.85Å; M269-I275 HydrophobicContact CB-CD1 3.86Å; M269-C302 HydrophobicContact CB-CB 4.46Å; M269-C302 HydrophobicContact CE-CB 3.56Å; M269-C302 HydrophobicContact CG-CB 4.13Å; M269-Y304 HydrophobicContact CE-CE2 4.14Å; M269-Y304 WeakPolarHBondContact CE-OH 3.24Å; M269-Y304 WeakPolarHBondContact O-CE1 3.47Å; M269-Y304 PolarHBondContact O-OH 3.44Å; M269-L317 HydrophobicContact CE-CD1 4.36Å; M269-L317 HydrophobicContact SD-CD1 3.67Å
270S94.2Very high91.4Very high62 Ų6249.8 Ų49.843%0.43427%0.272SS..G310 helixtrans-63.2-19176.6-64.20000113.5S266 L268 C272 G273 I275S266-S270 VanDerWaalsContact O-CB 3.26Å; S266-S270 WeakPolarHBondContact O-CB 3.36Å; S266-S270 PolarHBondContact O-N 2.77Å; S266-S270 PolarHBondContact O-OG 2.86Å; L268-S270 VanDerWaalsContact C-N 3.32Å; L268-S270 PolarHBondContact O-N 3.35Å; S270-C272 VanDerWaalsContact C-N 3.26Å; S270-C272 PolarHBondContact O-N 2.94Å; S270-G273 PolarHBondContact O-N 3.17Å; S270-I275 WeakPolarHBondContact OG-CD1 2.91Å
271K91.9Very high91Very high142 Ų14253.2 Ų53.262%0.61729%0.294SS*.G310 helixtrans-62.8-29.7176.6-62.4173.8-173.2174.50113.2L268 M269L268-K271 HydrophobicContact CD1-CD 4.49Å; L268-K271 WeakPolarHBondContact O-CB 3.27Å; L268-K271 WeakPolarHBondContact O-CG 3.18Å; L268-K271 PolarHBondContact O-N 3.13Å; M269-K271 PolarHBondContact O-N 2.88Å
272C93Very high90.6Very high3 Ų354.8 Ų54.82%0.0230%0.3CS..G310 helixtrans-103.9-0-176.2-63.60000113.9M269 S270 S309 L312 A313M269-C272 PolarHBondContact O-N 2.85Å; S270-C272 VanDerWaalsContact C-N 3.26Å; S270-C272 PolarHBondContact O-N 2.94Å; C272-S309 VanDerWaalsContact O-CB 3.31Å; C272-S309 WeakPolarHBondContact O-CB 3.31Å; C272-S309 PolarHBondContact O-OG 3.23Å; C272-L312 HydrophobicContact CB-CG 4.45Å; C272-A313 HydrophobicContact CB-CB 4.02Å
273G92.6Very high90.4Very high20 Ų2056.6 Ų56.621%0.20631%0.308CS..SBendtrans157.6174.8172.800000115.3S270 I275 Y304S270-G273 PolarHBondContact O-N 3.17Å; G273-I275 PolarHBondContact O-N 3Å; G273-Y304 WeakPolarHBondContact O-CE1 3.44Å
274V93.3Very high90.3Very high51 Ų5151.1 Ų51.131%0.30929%0.287SS..  trans-71.3114.5177.6-177.80000109.7Y304 V305 L364 F365V274-Y304 WeakPolarHBondContact O-CA 3.34Å; V274-V305 HydrophobicContact CB-CG2 4.36Å; V274-V305 HydrophobicContact CG1-CG2 3.91Å; V274-V305 PolarHBondContact O-N 2.94Å; V274-L364 HydrophobicContact CG1-CD2 3.78Å; V274-F365 HydrophobicContact CB-CE1 4.26Å; V274-F365 HydrophobicContact CB-CZ 4.05Å; V274-F365 HydrophobicContact CG2-CE1 3.77Å; V274-F365 HydrophobicContact CG2-CZ 4.07Å
275I94.4Very high90.2Very high12 Ų1251.7 Ų51.76%0.06229%0.286CS..BIsolated β-bridgetrans-69.6134.5173.3-55.1-179000108.7M269 S270 G273 N277 P284 I286 Y304M269-I275 HydrophobicContact CB-CD1 3.86Å; S270-I275 WeakPolarHBondContact OG-CD1 2.91Å; G273-I275 PolarHBondContact O-N 3Å; I275-N277 PolarHBondContact O-N 3.44Å; I275-P284 HydrophobicContact CG2-CB 3.86Å; I275-I286 HydrophobicContact CD1-CD1 3.81Å; I275-I286 HydrophobicContact CD1-CG1 4.28Å; I275-I286 HydrophobicContact CG2-CD1 4.34Å; I275-I286 HydrophobicContact CG2-CG1 3.9Å; I275-Y304 HydrophobicContact CG1-CD1 4.37Å; I275-Y304 HydrophobicContact CG1-CE1 4.14Å
276M91.6Very high90.2Very high26 Ų2653.3 Ų53.313%0.12829%0.294CS..PPolyproline II helixtrans-74.1122.6-178-174.3-176.4-65.100110.9R285 C303 V305M276-R285 WeakPolarHBondContact O-CB 3.47Å; M276-R285 WeakPolarHBondContact O-CG 3.16Å; M276-R285 PolarHBondContact O-N 3.15Å; M276-R285 PolarHBondContact SD-NH1 3.34Å; M276-C303 HydrophobicContact CB-CB 4.43Å; M276-C303 PolarHBondContact N-O 3.35Å; M276-V305 HydrophobicContact CB-CG2 3.83Å; M276-V305 HydrophobicContact CG-CG2 4.23Å
277N91.5Very high90.1Very high65 Ų6556.8 Ų56.835%0.34831%0.306SS..BIsolated β-bridgetrans-70.3151.3171.1-54.681.8000112.1I275 N282 I283I275-N277 PolarHBondContact O-N 3.44Å; N277-N282 PolarHBondContact ND2-O 3.11Å; N277-I283 CarbonylContact C-O 3.54Å; N277-I283 WeakPolarHBondContact CA-O 3.25Å
278E86Confident90.1Very high58 Ų5854.2 Ų54.227%0.27128%0.284SS..PPolyproline II helixtrans-73.6133.7173.4-160.1-70145.800109.5F280 T281 N282 I283 R285E278-F280 PolarHBondContact O-N 2.86Å; E278-F280 WeakPolarHBondContact OE2-CA 3.37Å; E278-F280 PolarHBondContact OE2-N 2.78Å; E278-T281 PolarHBondContact OE2-N 2.61Å; E278-T281 PolarHBondContact OE2-OG1 3.04Å; E278-N282 VanDerWaalsContact O-CA 3.27Å; E278-N282 WeakPolarHBondContact O-CA 3.46Å; E278-N282 PolarHBondContact O-N 3.04Å; E278-I283 WeakPolarHBondContact CB-O 3.44Å; E278-I283 PolarHBondContact N-O 3.05Å; E278-R285 HydrophobicContact CB-CG 3.97Å; E278-R285 HydrophobicContact CG-CG 4.49Å
279P81.9Confident90.1Very high47 Ų4757.3 Ų57.331%0.30530%0.295SS..THydrogen-bonded Turntrans-65.5-10.5-165.724.2-37.2000116.7L349 L357P279-L349 HydrophobicContact CB-CD1 4.19Å; P279-L357 HydrophobicContact CB-CD1 4.17Å; P279-L357 HydrophobicContact CB-CD2 4.17Å
280F79.6Confident90.1Very high91 Ų9162.3 Ų62.340%0.39932%0.317SS..THydrogen-bonded Turntrans-120.4-44.5-177.7-50.4-53.9000112E278 R347 L349E278-F280 PolarHBondContact O-N 2.86Å; E278-F280 WeakPolarHBondContact OE2-CA 3.37Å; E278-F280 PolarHBondContact OE2-N 2.78Å; F280-R347 VanDerWaalsContact CZ-NH2 3.25Å; F280-L349 HydrophobicContact CE1-CD1 3.65Å; F280-L349 HydrophobicContact CZ-CD1 3.51Å
281T83.6Confident89.9Confident79 Ų7963.4 Ų63.449%0.48532%0.318SS..THydrogen-bonded Turntrans-86.4-17.1-179.965.20000113.3E278 I283E278-T281 PolarHBondContact OE2-N 2.61Å; E278-T281 PolarHBondContact OE2-OG1 3.04Å; T281-I283 HydrophobicContact CG2-CD1 4.42Å; T281-I283 PolarHBondContact O-N 3.27Å; T281-I283 VanDerWaalsContact O-N 3.15Å; T281-I283 WeakPolarHBondContact OG1-CB 3.35Å; T281-I283 WeakPolarHBondContact OG1-CG1 3.42Å; T281-I283 PolarHBondContact OG1-N 3.26Å
282N82.7Confident89.8Confident98 Ų9866.4 Ų66.452%0.52434%0.335SS..  trans60.47.7-170.2-54-88.8000114.8N277 E278N277-N282 PolarHBondContact ND2-O 3.11Å; E278-N282 VanDerWaalsContact O-CA 3.27Å; E278-N282 WeakPolarHBondContact O-CA 3.46Å; E278-N282 PolarHBondContact O-N 3.04Å
283I88Confident89.5Confident106 Ų10670.2 Ų70.254%0.54437%0.366SS..  trans-66.9138.1175.7-63.1171.1000109.1N277 E278 T281 R285N277-I283 CarbonylContact C-O 3.54Å; N277-I283 WeakPolarHBondContact CA-O 3.25Å; E278-I283 WeakPolarHBondContact CB-O 3.44Å; E278-I283 PolarHBondContact N-O 3.05Å; T281-I283 HydrophobicContact CG2-CD1 4.42Å; T281-I283 PolarHBondContact O-N 3.27Å; T281-I283 VanDerWaalsContact O-N 3.15Å; T281-I283 WeakPolarHBondContact OG1-CB 3.35Å; T281-I283 WeakPolarHBondContact OG1-CG1 3.42Å; T281-I283 PolarHBondContact OG1-N 3.26Å; I283-R285 PolarHBondContact O-N 3Å
284P91.1Very high89.2Confident49 Ų4971.5 Ų71.532%0.31838%0.38SS..BIsolated β-bridgetrans-60.3134.2176.325.5-35.1000111.2I275 I286I275-P284 HydrophobicContact CG2-CB 3.86Å; P284-I286 HydrophobicContact CB-CD1 4.05Å; P284-I286 HydrophobicContact CB-CG1 4.2Å; P284-I286 HydrophobicContact CG-CD1 4.22Å; P284-I286 PolarHBondContact O-N 3.23Å
285R90.7Very high88.9Confident81 Ų8173.4 Ų73.431%0.30639%0.387SS..  trans-78.161.5-174.6-67.4177.266.6-136-10.9112.9H250 M276 E278 I283 C303H250-R285 PolarHBondContact CE1-NH2 2.87Å; M276-R285 WeakPolarHBondContact O-CB 3.47Å; M276-R285 WeakPolarHBondContact O-CG 3.16Å; M276-R285 PolarHBondContact O-N 3.15Å; M276-R285 PolarHBondContact SD-NH1 3.34Å; E278-R285 HydrophobicContact CB-CG 3.97Å; E278-R285 HydrophobicContact CG-CG 4.49Å; I283-R285 PolarHBondContact O-N 3Å; R285-C303 HydrophobicContact CB-CB 3.98Å; R285-C303 PolarHBondContact NH1-SG 3.47Å; R285-C303 PolarHBondContact O-N 3.07Å
286I93.7Very high88.6Confident34 Ų3473.7 Ų73.717%0.17439%0.39CS..  trans-99.9149.9174.3-54.6171.6000107.9F265 S266 I275 P284F265-I286 HydrophobicContact CD1-CG2 3.33Å; F265-I286 HydrophobicContact CE1-CG2 3.5Å; F265-I286 HydrophobicContact CG-CG2 4.4Å; S266-I286 VanDerWaalsContact CB-CD1 3.44Å; S266-I286 WeakPolarHBondContact OG-CD1 3.39Å; I275-I286 HydrophobicContact CD1-CD1 3.81Å; I275-I286 HydrophobicContact CD1-CG1 4.28Å; I275-I286 HydrophobicContact CG2-CD1 4.34Å; I275-I286 HydrophobicContact CG2-CG1 3.9Å; P284-I286 HydrophobicContact CB-CD1 4.05Å; P284-I286 HydrophobicContact CB-CG1 4.2Å; P284-I286 HydrophobicContact CG-CD1 4.22Å; P284-I286 PolarHBondContact O-N 3.23Å
287K91.8Very high88.6Confident102 Ų10277.9 Ų77.944%0.44341%0.407SS..EExtended strand (participates in β ladder)trans-145.1113.3160174.1169.4178.7164.70109.4Y289 G300 R301K287-Y289 HydrophobicContact CD-CD1 4.43Å; K287-Y289 HydrophobicContact CD-CE1 4.19Å; K287-Y289 HydrophobicContact CG-CE1 4.46Å; K287-G300 CarbonylContact O-C 3.55Å; K287-G300 WeakPolarHBondContact O-CA 3.37Å; K287-R301 HydrophobicContact CB-CG 3.92Å; K287-R301 PolarHBondContact N-O 2.84Å; K287-R301 PolarHBondContact O-N 2.91Å
288L93.7Very high88.6Confident7 Ų775.2 Ų75.24%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-73.1139.1161.1-170.659.5000108.9L256 I260 D262 P296L256-L288 HydrophobicContact CD1-CD1 4.02Å; I260-L288 HydrophobicContact CG2-CD1 3.71Å; I260-L288 HydrophobicContact CG2-CD2 3.78Å; I260-L288 HydrophobicContact CG2-CG 4.37Å; I260-L288 WeakPolarHBondContact O-CD2 3.41Å; D262-L288 VanDerWaalsContact OD1-CB 3.24Å; D262-L288 WeakPolarHBondContact OD1-CB 3.41Å; L288-P296 HydrophobicContact CD1-CB 4.11Å; L288-P296 HydrophobicContact CD2-CB 3.58Å; L288-P296 HydrophobicContact CD2-CG 4.26Å; L288-P296 HydrophobicContact CG-CB 3.73Å
289Y93.2Very high89Confident69 Ų6973.1 Ų73.127%0.27139%0.386SS..EExtended strand (participates in β ladder)trans-90136.6172.5-60.8-71.6000109.4Y252 K287 P296 K297 D299Y252-Y289 HydrophobicContact CD2-CE2 4.42Å; Y252-Y289 AromaticContact CE2-CE2 3.98Å; Y252-Y289 HydrophobicContact CE2-CE2 3.98Å; K287-Y289 HydrophobicContact CD-CD1 4.43Å; K287-Y289 HydrophobicContact CD-CE1 4.19Å; K287-Y289 HydrophobicContact CG-CE1 4.46Å; Y289-P296 WeakPolarHBondContact O-CA 3.28Å; Y289-K297 PolarHBondContact O-N 3.38Å; Y289-D299 WeakPolarHBondContact CB-OD1 3.19Å; Y289-D299 HydrophobicContact CD2-CB 4.31Å; Y289-D299 WeakPolarHBondContact CD2-O 3.16Å; Y289-D299 PolarHBondContact N-O 2.65Å
290K93.1Very high89.6Confident107 Ų10770.9 Ų70.947%0.46537%0.371SS..EExtended strand (participates in β ladder)trans-127.2137.3-175-62.6175.2-175.4178.80107.9D262 I295 P296D262-K290 IonicContact OD2-NZ 3.16Å; D262-K290 PolarHBondContact OD2-NZ 3.1Å; K290-I295 CarbonylContact C-O 3.52Å; K290-I295 VanDerWaalsContact CA-O 3.29Å; K290-I295 WeakPolarHBondContact CA-O 3.38Å; K290-P296 HydrophobicContact CG-CB 4.27Å
291D91.2Very high90.3Very high85 Ų8571 Ų7146%0.45537%0.369SS..  trans-73.5174.7177-76.3-41.8000111.1A293 G294 I295 K297D291-A293 PolarHBondContact O-N 3.37Å; D291-G294 PolarHBondContact O-N 2.65Å; D291-I295 PolarHBondContact N-O 3.23Å; D291-K297 WeakPolarHBondContact OD1-CD 3.09Å
292Q90.1Very high90.8Very high205 Ų20567.3 Ų67.396%0.95835%0.346SS*.THydrogen-bonded Turntrans-56.6-21.7178.8-65.3176.5-2.800113.5G294Q292-G294 VanDerWaalsContact C-N 3.33Å
293A86.7Confident91.4Very high82 Ų8262.6 Ų62.668%0.67832%0.321SS*.THydrogen-bonded Turntrans-86.16.6174.400000114.3D291 I295D291-A293 PolarHBondContact O-N 3.37Å; A293-I295 HydrophobicContact CB-CD1 4.27Å; A293-I295 HydrophobicContact CB-CG1 4.37Å; A293-I295 PolarHBondContact O-N 2.97Å; A293-I295 VanDerWaalsContact O-N 3.09Å
294G85.1Confident91.7Very high48 Ų4857.6 Ų57.650%0.49530%0.295SS..SBendtrans75.3-13.8-177.200000115.4D291 Q292D291-G294 PolarHBondContact O-N 2.65Å; Q292-G294 VanDerWaalsContact C-N 3.33Å
295I86.4Confident91.8Very high91 Ų9156.1 Ų56.147%0.46729%0.286SS..  trans-64.2134.4175.6-58.8170.9000109.5P258 K290 D291 A293 K297P258-I295 HydrophobicContact CB-CG2 3.91Å; K290-I295 CarbonylContact C-O 3.52Å; K290-I295 VanDerWaalsContact CA-O 3.29Å; K290-I295 WeakPolarHBondContact CA-O 3.38Å; D291-I295 PolarHBondContact N-O 3.23Å; A293-I295 HydrophobicContact CB-CD1 4.27Å; A293-I295 HydrophobicContact CB-CG1 4.37Å; A293-I295 PolarHBondContact O-N 2.97Å; A293-I295 VanDerWaalsContact O-N 3.09Å; I295-K297 PolarHBondContact O-N 3.04Å
296P89.7Confident92Very high17 Ų1757 Ų5711%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-67.4129.3174.528-33.4000111.6P258 I260 L288 Y289 K290 G298P258-P296 WeakPolarHBondContact CA-O 3.26Å; P258-P296 WeakPolarHBondContact O-CD 3.31Å; P258-P296 VanDerWaalsContact O-CG 3.32Å; P258-P296 WeakPolarHBondContact O-CG 3.5Å; I260-P296 HydrophobicContact CG2-CB 4.16Å; I260-P296 HydrophobicContact CG2-CG 4.12Å; L288-P296 HydrophobicContact CD1-CB 4.11Å; L288-P296 HydrophobicContact CD2-CB 3.58Å; L288-P296 HydrophobicContact CD2-CG 4.26Å; L288-P296 HydrophobicContact CG-CB 3.73Å; Y289-P296 WeakPolarHBondContact O-CA 3.28Å; K290-P296 HydrophobicContact CG-CB 4.27Å; P296-G298 PolarHBondContact O-N 3.23Å; P296-G298 VanDerWaalsContact O-N 3.13Å
297K91.6Very high92Very high114 Ų11457.4 Ų57.450%0.49629%0.293SS..EExtended strand (participates in β ladder)trans-73-2.7-172.8178.5179.1168.1-68.50113.8Y289 D291 I295 D299Y289-K297 PolarHBondContact O-N 3.38Å; D291-K297 WeakPolarHBondContact OD1-CD 3.09Å; I295-K297 PolarHBondContact O-N 3.04Å; K297-D299 VanDerWaalsContact CB-OD1 3.32Å; K297-D299 WeakPolarHBondContact CB-OD1 3.48Å; K297-D299 WeakPolarHBondContact CD-OD1 3.49Å; K297-D299 WeakPolarHBondContact CG-OD1 3.4Å; K297-D299 VanDerWaalsContact NZ-CG 3.34Å; K297-D299 IonicContact NZ-OD1 3.41Å; K297-D299 PolarHBondContact NZ-OD1 3.49Å; K297-D299 IonicContact NZ-OD2 3.43Å; K297-D299 PolarHBondContact NZ-OD2 3.48Å
298G91.1Very high92.1Very high10 Ų1058.7 Ų58.710%0.10330%0.301CS..EExtended strand (participates in β ladder)trans86.73.7-17700000114.6S254 G255 L256 P296S254-G298 CarbonylContact C-O 3.46Å; S254-G298 WeakPolarHBondContact CA-O 3.33Å; G255-G298 PolarHBondContact N-O 2.92Å; G255-G298 VanDerWaalsContact N-O 3.09Å; L256-G298 WeakPolarHBondContact CB-O 3.48Å; L256-G298 PolarHBondContact N-O 3Å; L256-G298 WeakPolarHBondContact O-CA 3.13Å; P296-G298 PolarHBondContact O-N 3.23Å; P296-G298 VanDerWaalsContact O-N 3.13Å
299D93.9Very high92.2Very high14 Ų1459 Ų598%0.07530%0.304CS..EExtended strand (participates in β ladder)trans-119.9152172.754.5-7.3000112.9Y252 V253 Y289 K297Y252-D299 HydrophobicContact CE2-CB 4.27Å; Y252-D299 WeakPolarHBondContact OH-CB 3.43Å; Y252-D299 PolarHBondContact OH-OD2 2.61Å; Y252-D299 VanDerWaalsContact OH-OD2 3.11Å; V253-D299 CarbonylContact O-C 3.52Å; V253-D299 VanDerWaalsContact O-CA 3.29Å; V253-D299 WeakPolarHBondContact O-CA 3.41Å; Y289-D299 WeakPolarHBondContact CB-OD1 3.19Å; Y289-D299 HydrophobicContact CD2-CB 4.31Å; Y289-D299 WeakPolarHBondContact CD2-O 3.16Å; Y289-D299 PolarHBondContact N-O 2.65Å; K297-D299 VanDerWaalsContact CB-OD1 3.32Å; K297-D299 WeakPolarHBondContact CB-OD1 3.48Å; K297-D299 WeakPolarHBondContact CD-OD1 3.49Å; K297-D299 WeakPolarHBondContact CG-OD1 3.4Å; K297-D299 VanDerWaalsContact NZ-CG 3.34Å; K297-D299 IonicContact NZ-OD1 3.41Å; K297-D299 PolarHBondContact NZ-OD1 3.49Å; K297-D299 IonicContact NZ-OD2 3.43Å; K297-D299 PolarHBondContact NZ-OD2 3.48Å
300G94.4Very high92.2Very high0 Ų055.8 Ų55.80%029%0.291CS..EExtended strand (participates in β ladder)trans-161.5173.1-177.200000113.3Y252 V253 K287Y252-G300 WeakPolarHBondContact CD2-O 3.37Å; V253-G300 PolarHBondContact N-O 3.36Å; V253-G300 PolarHBondContact O-N 2.81Å; K287-G300 CarbonylContact O-C 3.55Å; K287-G300 WeakPolarHBondContact O-CA 3.37Å
301R94.4Very high92.3Very high94 Ų9455 Ų5536%0.35529%0.289SS..EExtended strand (participates in β ladder)trans-132.5144.8173.864.2171.6-169.4-152.81.8112.3V251 K287V251-R301 CarbonylContact O-C 3.6Å; V251-R301 VanDerWaalsContact O-CA 3.23Å; V251-R301 WeakPolarHBondContact O-CA 3.49Å; K287-R301 HydrophobicContact CB-CG 3.92Å; K287-R301 PolarHBondContact N-O 2.84Å; K287-R301 PolarHBondContact O-N 2.91Å
302C95Very high92.5Very high0 Ų054.7 Ų54.70%029%0.287CS..EExtended strand (participates in β ladder)trans-120.2162.5171.4-1680000110.6H250 V251 M269H250-C302 WeakPolarHBondContact CA-O 3.42Å; H250-C302 PolarHBondContact ND1-O 3.02Å; V251-C302 HydrophobicContact CB-CB 4.49Å; V251-C302 PolarHBondContact N-O 2.95Å; V251-C302 PolarHBondContact O-N 2.81Å; M269-C302 HydrophobicContact CB-CB 4.46Å; M269-C302 HydrophobicContact CE-CB 3.56Å; M269-C302 HydrophobicContact CG-CB 4.13Å
303C94.1Very high92.8Very high0 Ų044.9 Ų44.90%024%0.241CC..EExtended strand (participates in β ladder)trans-131.9116.6170.6-172.90000108.7H250 M276 R285H250-C303 VanDerWaalsContact CE1-CB 3.46Å; H250-C303 WeakPolarHBondContact CE1-CB 3.18Å; H250-C303 PolarHBondContact CE1-SG 3.48Å; H250-C303 WeakPolarHBondContact ND1-CB 3.45Å; M276-C303 HydrophobicContact CB-CB 4.43Å; M276-C303 PolarHBondContact N-O 3.35Å; R285-C303 HydrophobicContact CB-CB 3.98Å; R285-C303 PolarHBondContact NH1-SG 3.47Å; R285-C303 PolarHBondContact O-N 3.07Å
304Y95.8Very high93.1Very high0 Ų043 Ų430%022%0.219CC..BIsolated β-bridgetrans-86.1161.6171.5-69.1-64000111.3T249 V251 M269 G273 V274 I275 R306 S309 V310 A313T249-Y304 WeakPolarHBondContact CB-O 3.27Å; T249-Y304 PolarHBondContact O-N 3Å; V251-Y304 HydrophobicContact CG2-CD2 3.75Å; V251-Y304 HydrophobicContact CG2-CE2 3.65Å; M269-Y304 HydrophobicContact CE-CE2 4.14Å; M269-Y304 WeakPolarHBondContact CE-OH 3.24Å; M269-Y304 WeakPolarHBondContact O-CE1 3.47Å; M269-Y304 PolarHBondContact O-OH 3.44Å; G273-Y304 WeakPolarHBondContact O-CE1 3.44Å; V274-Y304 WeakPolarHBondContact O-CA 3.34Å; I275-Y304 HydrophobicContact CG1-CD1 4.37Å; I275-Y304 HydrophobicContact CG1-CE1 4.14Å; Y304-R306 WeakPolarHBondContact CB-O 3.38Å; Y304-S309 WeakPolarHBondContact CE2-O 3.22Å; Y304-S309 VanDerWaalsContact CG-CB 3.46Å; Y304-V310 HydrophobicContact CD2-CG2 4Å; Y304-A313 HydrophobicContact CE2-CB 3.92Å
305V93Very high93.6Very high19 Ų1947.5 Ų47.512%0.11523%0.225CC..SBendtrans-75.8-26.9171.6-173.60000111.7V274 M276 Q361 F365V274-V305 HydrophobicContact CB-CG2 4.36Å; V274-V305 HydrophobicContact CG1-CG2 3.91Å; V274-V305 PolarHBondContact O-N 2.94Å; M276-V305 HydrophobicContact CB-CG2 3.83Å; M276-V305 HydrophobicContact CG-CG2 4.23Å; V305-Q361 HydrophobicContact CG1-CB 3.76Å; V305-Q361 HydrophobicContact CG1-CG 3.62Å; V305-F365 HydrophobicContact CB-CE2 3.96Å; V305-F365 HydrophobicContact CB-CZ 4.06Å; V305-F365 HydrophobicContact CG1-CE2 3.66Å; V305-F365 HydrophobicContact CG1-CZ 4.28Å
306R93.3Very high93.9Very high98 Ų9847.4 Ų47.437%0.3723%0.225SC..SBendtrans-120.7147.8-179.6-69.9-75.7178.8154.5-5.2111.1Y304 E308 S309 F365Y304-R306 WeakPolarHBondContact CB-O 3.38Å; R306-E308 VanDerWaalsContact C-N 3.34Å; R306-E308 HydrophobicContact CB-CB 4.5Å; R306-E308 IonicContact NH1-OE1 3.96Å; R306-S309 PolarHBondContact O-N 3.41Å; R306-F365 HydrophobicContact CG-CE1 4.41Å; R306-F365 HydrophobicContact CG-CE2 3.76Å; R306-F365 HydrophobicContact CG-CZ 3.65Å
307V94.3Very high94.1Very high43 Ų4346.7 Ų46.726%0.26122%0.22SC..SBendtrans-72.4-30.5173.9-175.30000111.1K247 T249 S309 V310 E311K247-V307 WeakPolarHBondContact O-CG2 3.48Å; T249-V307 HydrophobicContact CG2-CG2 3.62Å; V307-S309 PolarHBondContact O-N 2.86Å; V307-V310 WeakPolarHBondContact O-CA 3.29Å; V307-V310 VanDerWaalsContact O-CB 3.26Å; V307-V310 WeakPolarHBondContact O-CB 3.38Å; V307-V310 PolarHBondContact O-N 2.87Å; V307-E311 PolarHBondContact O-N 2.84Å
308E94.1Very high94.2Very high129 Ų12945.2 Ų45.260%0.60322%0.217SC*.Hα-helixtrans-52.8-38.3173.5-63.4138.8-127.400112.1R306 V310 E311 L312R306-E308 VanDerWaalsContact C-N 3.34Å; R306-E308 HydrophobicContact CB-CB 4.5Å; R306-E308 IonicContact NH1-OE1 3.96Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.29Å; E308-E311 PolarHBondContact O-N 2.88Å; E308-L312 PolarHBondContact O-N 2.86Å
309S95Very high94.2Very high15 Ų1547 Ų4711%0.10524%0.237CC..Hα-helixtrans-68.8-26.9175.6-58.50000113.9C272 Y304 R306 V307 A313C272-S309 VanDerWaalsContact O-CB 3.31Å; C272-S309 WeakPolarHBondContact O-CB 3.31Å; C272-S309 PolarHBondContact O-OG 3.23Å; Y304-S309 WeakPolarHBondContact CE2-O 3.22Å; Y304-S309 VanDerWaalsContact CG-CB 3.46Å; R306-S309 PolarHBondContact O-N 3.41Å; V307-S309 PolarHBondContact O-N 2.86Å; S309-A313 WeakPolarHBondContact O-CB 3.5Å; S309-A313 PolarHBondContact O-N 3.09Å
310V95Very high94Very high0 Ų049.1 Ų49.10%025%0.246CC..Hα-helixtrans-67.2-46.7170.8174.80000109.6V251 Y304 V307 E308 L312 A313 L314 R332V251-V310 HydrophobicContact CG2-CB 4.1Å; V251-V310 HydrophobicContact CG2-CG1 3.93Å; V251-V310 HydrophobicContact CG2-CG2 3.72Å; Y304-V310 HydrophobicContact CD2-CG2 4Å; V307-V310 WeakPolarHBondContact O-CA 3.29Å; V307-V310 VanDerWaalsContact O-CB 3.26Å; V307-V310 WeakPolarHBondContact O-CB 3.38Å; V307-V310 PolarHBondContact O-N 2.87Å; E308-V310 VanDerWaalsContact C-N 3.34Å; E308-V310 PolarHBondContact O-N 3.29Å; V310-L312 VanDerWaalsContact C-N 3.32Å; V310-L312 PolarHBondContact O-N 3.07Å; V310-A313 PolarHBondContact O-N 3.05Å; V310-L314 HydrophobicContact CG1-CD1 4.44Å; V310-L314 WeakPolarHBondContact O-CG 3.34Å; V310-L314 PolarHBondContact O-N 3.37Å; V310-R332 HydrophobicContact CG1-CG 4.03Å
311E95Very high93.7Very high91 Ų9154.3 Ų54.343%0.42527%0.274SS..Hα-helixtrans-65.3-36.4177.7-163.2-176.8127.900112.3V307 E308 L314 K315V307-E311 PolarHBondContact O-N 2.84Å; E308-E311 PolarHBondContact O-N 2.88Å; E311-L314 PolarHBondContact O-N 2.73Å; E311-K315 HydrophobicContact CG-CD 4.33Å; E311-K315 WeakPolarHBondContact O-CB 3.31Å; E311-K315 WeakPolarHBondContact O-CG 3.42Å; E311-K315 PolarHBondContact O-N 3.39Å; E311-K315 VanDerWaalsContact O-N 3.13Å; E311-K315 WeakPolarHBondContact OE1-CE 3.21Å; E311-K315 IonicContact OE1-NZ 2.72Å; E311-K315 PolarHBondContact OE1-NZ 3.01Å
312L95.1Very high93.3Very high78 Ų7853 Ų5341%0.40827%0.269SS..Hα-helixtrans-67.1-38.2174.1-167.762.3000112.3C272 E308 V310 K315 I316C272-L312 HydrophobicContact CB-CG 4.45Å; E308-L312 PolarHBondContact O-N 2.86Å; V310-L312 VanDerWaalsContact C-N 3.32Å; V310-L312 PolarHBondContact O-N 3.07Å; L312-K315 PolarHBondContact O-N 2.83Å; L312-I316 HydrophobicContact CD1-CD1 3.53Å; L312-I316 HydrophobicContact CD1-CG1 4.17Å; L312-I316 HydrophobicContact CG-CD1 3.89Å; L312-I316 WeakPolarHBondContact O-CB 3.33Å; L312-I316 PolarHBondContact O-N 2.99Å; L312-I316 VanDerWaalsContact O-N 3.09Å
313A95.5Very high92.9Very high0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-63-45.4174.100000111.8C272 Y304 S309 V310 K315 I316 L317 V330C272-A313 HydrophobicContact CB-CB 4.02Å; Y304-A313 HydrophobicContact CE2-CB 3.92Å; S309-A313 WeakPolarHBondContact O-CB 3.5Å; S309-A313 PolarHBondContact O-N 3.09Å; V310-A313 PolarHBondContact O-N 3.05Å; A313-K315 PolarHBondContact O-N 3.18Å; A313-I316 PolarHBondContact O-N 2.8Å; A313-L317 HydrophobicContact CB-CD1 4.16Å; A313-L317 WeakPolarHBondContact O-CB 3.2Å; A313-L317 PolarHBondContact O-N 3.37Å; A313-V330 HydrophobicContact CB-CG1 4.4Å
314L94.3Very high92.4Very high41 Ų4161.1 Ų61.122%0.21532%0.321CS..Hα-helixtrans-58.4-34173.9-64.5170000112.6V310 E311 D318 V330 R332V310-L314 HydrophobicContact CG1-CD1 4.44Å; V310-L314 WeakPolarHBondContact O-CG 3.34Å; V310-L314 PolarHBondContact O-N 3.37Å; E311-L314 PolarHBondContact O-N 2.73Å; L314-D318 WeakPolarHBondContact O-CB 3.11Å; L314-V330 HydrophobicContact CD2-CB 4.48Å; L314-V330 HydrophobicContact CD2-CG1 4.11Å; L314-V330 WeakPolarHBondContact CD2-O 3.44Å; L314-R332 HydrophobicContact CD1-CG 3.87Å
315K94.1Very high91.9Very high144 Ų14464.7 Ų64.763%0.62636%0.358SS*.Hα-helixtrans-84.2-17.9-177.6-75.7170.6170.6173.80115.1E311 L312 A313E311-K315 HydrophobicContact CG-CD 4.33Å; E311-K315 WeakPolarHBondContact O-CB 3.31Å; E311-K315 WeakPolarHBondContact O-CG 3.42Å; E311-K315 PolarHBondContact O-N 3.39Å; E311-K315 VanDerWaalsContact O-N 3.13Å; E311-K315 WeakPolarHBondContact OE1-CE 3.21Å; E311-K315 IonicContact OE1-NZ 2.72Å; E311-K315 PolarHBondContact OE1-NZ 3.01Å; L312-K315 PolarHBondContact O-N 2.83Å; A313-K315 PolarHBondContact O-N 3.18Å
316I93.9Very high91.7Very high89 Ų8968.2 Ų68.246%0.45637%0.37SS..Hα-helixtrans-121.4-34.4-171.6-65.6-175.4000113L312 A313 M320L312-I316 HydrophobicContact CD1-CD1 3.53Å; L312-I316 HydrophobicContact CD1-CG1 4.17Å; L312-I316 HydrophobicContact CG-CD1 3.89Å; L312-I316 WeakPolarHBondContact O-CB 3.33Å; L312-I316 PolarHBondContact O-N 2.99Å; L312-I316 VanDerWaalsContact O-N 3.09Å; A313-I316 PolarHBondContact O-N 2.8Å; I316-M320 HydrophobicContact CG2-CE 4.37Å; I316-M320 WeakPolarHBondContact O-CE 3.23Å
317L93.1Very high91.7Very high1 Ų166.6 Ų66.61%0.00537%0.371CS..THydrogen-bonded Turntrans-99.1-24.1-174.3-59.9179.5000113.3L268 M269 A313 G319 M320 V330L268-L317 HydrophobicContact CD1-CD2 4.15Å; M269-L317 HydrophobicContact CE-CD1 4.36Å; M269-L317 HydrophobicContact SD-CD1 3.67Å; A313-L317 HydrophobicContact CB-CD1 4.16Å; A313-L317 WeakPolarHBondContact O-CB 3.2Å; A313-L317 PolarHBondContact O-N 3.37Å; L317-G319 PolarHBondContact O-N 3.46Å; L317-M320 HydrophobicContact CD2-CE 3.72Å; L317-M320 HydrophobicContact CD2-SD 3.97Å; L317-M320 VanDerWaalsContact O-CB 3.24Å; L317-M320 WeakPolarHBondContact O-CB 3.09Å; L317-M320 PolarHBondContact O-N 2.61Å; L317-M320 VanDerWaalsContact O-N 3.08Å; L317-V330 HydrophobicContact CB-CG2 3.71Å
318D94.2Very high91.7Very high83 Ų8364.5 Ų64.544%0.44436%0.358SS..THydrogen-bonded Turntrans-68126175.8-166.742.7000110.5L314 M320 H329 V330L314-D318 WeakPolarHBondContact O-CB 3.11Å; D318-M320 VanDerWaalsContact C-N 3.31Å; D318-H329 VanDerWaalsContact OD1-CA 3.27Å; D318-H329 WeakPolarHBondContact OD1-CA 3.38Å; D318-H329 IonicContact OD1-ND1 2.64Å; D318-H329 PolarHBondContact OD1-ND1 2.88Å; D318-V330 HydrophobicContact CB-CB 4.15Å; D318-V330 HydrophobicContact CB-CG2 4.5Å; D318-V330 PolarHBondContact OD1-N 3.48Å
319G90.9Very high91.7Very high49 Ų4962.6 Ų62.651%0.50535%0.349SS..THydrogen-bonded Turntrans78.63.7-171.400000115.2L317 L321 I328L317-G319 PolarHBondContact O-N 3.46Å; G319-L321 PolarHBondContact O-N 3.31Å; G319-I328 PolarHBondContact N-O 2.95Å
320M89.5Confident91.8Very high57 Ų5762.2 Ų62.228%0.28135%0.346SS..  trans-70.2122.5177-178.4176.9-69.900111L268 I316 L317 D318 Y322 I328L268-M320 HydrophobicContact CD1-SD 4.22Å; I316-M320 HydrophobicContact CG2-CE 4.37Å; I316-M320 WeakPolarHBondContact O-CE 3.23Å; L317-M320 HydrophobicContact CD2-CE 3.72Å; L317-M320 HydrophobicContact CD2-SD 3.97Å; L317-M320 VanDerWaalsContact O-CB 3.24Å; L317-M320 WeakPolarHBondContact O-CB 3.09Å; L317-M320 PolarHBondContact O-N 2.61Å; L317-M320 VanDerWaalsContact O-N 3.08Å; D318-M320 VanDerWaalsContact C-N 3.31Å; M320-Y322 PolarHBondContact O-N 2.89Å; M320-I328 HydrophobicContact CB-CD1 4.14Å; M320-I328 HydrophobicContact CG-CD1 4.24Å; M320-I328 WeakPolarHBondContact O-CB 3.15Å; M320-I328 WeakPolarHBondContact O-CG1 3.34Å; M320-I328 PolarHBondContact O-N 3.3Å; M320-I328 HydrophobicContact SD-CD1 4.38Å
321L89Confident91.7Very high109 Ų10967.7 Ų67.757%0.57137%0.372SS*.EExtended strand (participates in β ladder)trans-73.4112169.1-170.479.1000109.6G319 T323 T327G319-L321 PolarHBondContact O-N 3.31Å; L321-T323 WeakPolarHBondContact CD1-O 3.28Å; L321-T327 HydrophobicContact CD1-CG2 3.96Å
322Y85.3Confident91.7Very high66 Ų6666.9 Ų66.926%0.25937%0.365SS..EExtended strand (participates in β ladder)trans-82.7-50.9177.5-172.9-102.8000111.3P257 I260 E264 L268 M320 Y326 I328P257-Y322 HydrophobicContact CG-CD1 3.8Å; P257-Y322 HydrophobicContact CG-CE1 4Å; I260-Y322 HydrophobicContact CD1-CE1 3.66Å; I260-Y322 HydrophobicContact CD1-CE2 4.34Å; I260-Y322 WeakPolarHBondContact CD1-OH 3.45Å; E264-Y322 PolarHBondContact OE2-OH 3.17Å; L268-Y322 HydrophobicContact CD1-CD2 4.32Å; L268-Y322 HydrophobicContact CD1-CE2 4.41Å; L268-Y322 HydrophobicContact CD2-CD2 4.21Å; L268-Y322 HydrophobicContact CD2-CE2 4.28Å; M320-Y322 PolarHBondContact O-N 2.89Å; Y322-Y326 PolarHBondContact N-O 3.15Å; Y322-I328 HydrophobicContact CD2-CD1 4.18Å; Y322-I328 HydrophobicContact CG-CD1 4.39Å
323T85.8Confident91.5Very high49 Ų4963.4 Ų63.430%0.30135%0.347SS..EExtended strand (participates in β ladder)trans-134.8155.417541.70000108.5L321 G325 Y326L321-T323 WeakPolarHBondContact CD1-O 3.28Å; T323-G325 PolarHBondContact O-N 2.86Å; T323-G325 VanDerWaalsContact O-N 3.08Å; T323-Y326 PolarHBondContact O-N 3.45Å; T323-Y326 WeakPolarHBondContact OG1-CD2 3.44Å
324P83.5Confident91.2Very high123 Ų12370.4 Ų70.480%0.79938%0.378SS*.THydrogen-bonded Turntrans-57.2118.8179.722.7-33.8000110.9
325G85.4Confident90.8Very high74 Ų7471.5 Ų71.576%0.76338%0.381SS*.THydrogen-bonded Turntrans98.5-10.6-175.100000115.7T323T323-G325 PolarHBondContact O-N 2.86Å; T323-G325 VanDerWaalsContact O-N 3.08Å
326Y89.7Confident90.3Very high94 Ų9472 Ų7237%0.36939%0.385SS..EExtended strand (participates in β ladder)trans-119.397.7-178.4-67.4-89.1000111.1P257 Y322 T323P257-Y326 HydrophobicContact CB-CD1 4.07Å; P257-Y326 HydrophobicContact CB-CD2 4.18Å; P257-Y326 HydrophobicContact CB-CE1 4.19Å; P257-Y326 HydrophobicContact CB-CE2 4.3Å; P257-Y326 HydrophobicContact CB-CG 4.07Å; Y322-Y326 PolarHBondContact N-O 3.15Å; T323-Y326 PolarHBondContact O-N 3.45Å; T323-Y326 WeakPolarHBondContact OG1-CD2 3.44Å
327T92.8Very high89.6Confident63 Ų6371.3 Ų71.339%0.38739%0.387SS..EExtended strand (participates in β ladder)trans-89.8122.117147.90000110L321L321-T327 HydrophobicContact CD1-CG2 3.96Å
328I94.4Very high88.3Confident0 Ų081 Ų810%043%0.429CS..  trans-71133.2175.5-59.7160.9000108.9V253 S254 L256 L268 G319 M320 Y322 V330V253-I328 HydrophobicContact CG1-CG2 3.54Å; S254-I328 WeakPolarHBondContact O-CA 3.34Å; L256-I328 HydrophobicContact CD2-CG1 4.29Å; L268-I328 HydrophobicContact CD1-CD1 4.23Å; L268-I328 HydrophobicContact CD2-CD1 3.75Å; G319-I328 PolarHBondContact N-O 2.95Å; M320-I328 HydrophobicContact CB-CD1 4.14Å; M320-I328 HydrophobicContact CG-CD1 4.24Å; M320-I328 WeakPolarHBondContact O-CB 3.15Å; M320-I328 WeakPolarHBondContact O-CG1 3.34Å; M320-I328 PolarHBondContact O-N 3.3Å; M320-I328 HydrophobicContact SD-CD1 4.38Å; Y322-I328 HydrophobicContact CD2-CD1 4.18Å; Y322-I328 HydrophobicContact CG-CD1 4.39Å; I328-V330 HydrophobicContact CG2-CG2 3.67Å
329H94.8Very high87.2Confident89 Ų8980 Ų8041%0.41244%0.438SS..EExtended strand (participates in β ladder)trans-115138.8167.5-69.3-62.2000110.6V253 S254 D318V253-H329 WeakPolarHBondContact CA-O 3.22Å; S254-H329 PolarHBondContact N-O 3.11Å; S254-H329 PolarHBondContact O-N 3.43Å; D318-H329 VanDerWaalsContact OD1-CA 3.27Å; D318-H329 WeakPolarHBondContact OD1-CA 3.38Å; D318-H329 IonicContact OD1-ND1 2.64Å; D318-H329 PolarHBondContact OD1-ND1 2.88Å
330V95.5Very high86Confident6 Ų686.8 Ų86.84%0.03646%0.457CS..EExtended strand (participates in β ladder)trans-131.7126.4-170.5-172.60000111.2V251 V253 A313 L314 L317 D318 I328V251-V330 HydrophobicContact CG1-CG1 3.27Å; V253-V330 HydrophobicContact CG1-CG2 4.44Å; A313-V330 HydrophobicContact CB-CG1 4.4Å; L314-V330 HydrophobicContact CD2-CB 4.48Å; L314-V330 HydrophobicContact CD2-CG1 4.11Å; L314-V330 WeakPolarHBondContact CD2-O 3.44Å; L317-V330 HydrophobicContact CB-CG2 3.71Å; D318-V330 HydrophobicContact CB-CB 4.15Å; D318-V330 HydrophobicContact CB-CG2 4.5Å; D318-V330 PolarHBondContact OD1-N 3.48Å; I328-V330 HydrophobicContact CG2-CG2 3.67Å
331E94.2Very high84.6Confident116 Ų11689.4 Ų89.454%0.54247%0.467SS..EExtended strand (participates in β ladder)trans-131.9159.5-178.3-66.1-169.3166.600112.3Y252 A333Y252-E331 PolarHBondContact N-O 3.11Å; Y252-E331 PolarHBondContact O-N 3.3Å; E331-A333 PolarHBondContact O-N 3.01Å
332R94.1Very high83.5Confident74 Ų7487.5 Ų87.528%0.27946%0.457SS..EExtended strand (participates in β ladder)trans-70121.1166.4-63.3-167.1170.893.2-0.7108.6E245 V310 L314 K334E245-R332 VanDerWaalsContact O-CD 3.24Å; E245-R332 WeakPolarHBondContact O-CD 3.46Å; V310-R332 HydrophobicContact CG1-CG 4.03Å; L314-R332 HydrophobicContact CD1-CG 3.87Å; R332-K334 PolarHBondContact O-N 3.36Å
333A92.4Very high82.6Confident5 Ų587.4 Ų87.44%0.04146%0.464CS..  trans-66.9107.3-170.500000112N248 H250 E331 F335N248-A333 PolarHBondContact ND2-O 3.33Å; H250-A333 HydrophobicContact CB-CB 3.79Å; H250-A333 PolarHBondContact O-N 3.27Å; E331-A333 PolarHBondContact O-N 3.01Å; A333-F335 HydrophobicContact CB-CE1 4.46Å; A333-F335 HydrophobicContact CB-CE2 4.13Å; A333-F335 HydrophobicContact CB-CZ 3.9Å; A333-F335 VanDerWaalsContact O-CD2 3.28Å; A333-F335 WeakPolarHBondContact O-CD2 3.37Å; A333-F335 WeakPolarHBondContact O-CE2 3.33Å
334K88.4Confident81.7Confident147 Ų14794 Ų9464%0.63949%0.489SS*.  trans-79.1127.9178-51.3-158.8-172.8-146.80110.4E245 R332E245-K334 VanDerWaalsContact OE1-CE 3.27Å; E245-K334 WeakPolarHBondContact OE1-CE 3.18Å; E245-K334 IonicContact OE1-NZ 2.66Å; E245-K334 PolarHBondContact OE1-NZ 2.9Å; E245-K334 IonicContact OE2-NZ 2.77Å; R332-K334 PolarHBondContact O-N 3.36Å
335F85.8Confident81Confident63 Ų6395.9 Ų95.928%0.27648%0.484SS..  trans-111.7104.1-174.9-66.2-68.5000111.2W240 I243 H250 A333W240-F335 HydrophobicContact CZ2-CB 4.05Å; W240-F335 PolarHBondContact NE1-O 2.84Å; I243-F335 HydrophobicContact CD1-CD2 4.18Å; H250-F335 HydrophobicContact CB-CE2 3.61Å; H250-F335 HydrophobicContact CB-CZ 3.54Å; H250-F335 AromaticContact CD2-CE2 3.61Å; H250-F335 AromaticContact CD2-CZ 3.68Å; H250-F335 AromaticContact CG-CE2 3.75Å; H250-F335 AromaticContact CG-CZ 3.54Å; A333-F335 HydrophobicContact CB-CE1 4.46Å; A333-F335 HydrophobicContact CB-CE2 4.13Å; A333-F335 HydrophobicContact CB-CZ 3.9Å; A333-F335 VanDerWaalsContact O-CD2 3.28Å; A333-F335 WeakPolarHBondContact O-CD2 3.37Å; A333-F335 WeakPolarHBondContact O-CE2 3.33Å
336Q82.7Confident80Confident155 Ų155100.9 Ų100.972%0.72448%0.48SS*.  trans-96.9151.1168.1-69.5174-16.700110.4K338Q336-K338 PolarHBondContact O-N 3.39Å; Q336-K338 VanDerWaalsContact O-N 3.1Å
337P79.6Confident79.1Confident75 Ų75103.3 Ų103.349%0.48749%0.489SS..  trans-69.9105.3177.227.7-31.9000110.4W240W240-P337 HydrophobicContact CB-CG 4.38Å; W240-P337 HydrophobicContact CD2-CB 3.74Å; W240-P337 HydrophobicContact CD2-CG 4.19Å; W240-P337 HydrophobicContact CE3-CB 3.76Å; W240-P337 HydrophobicContact CG-CB 4.11Å; W240-P337 HydrophobicContact CG-CG 4.07Å; W240-P337 HydrophobicContact CH2-CB 4.49Å; W240-P337 HydrophobicContact CZ2-CB 4.48Å; W240-P337 HydrophobicContact CZ3-CB 4.15Å
338K67.2Low78.2Confident204 Ų204110.6 Ų110.689%0.88751%0.509SS*.  trans-93.7105.3171.1-69.9-165.3174.6-169.30110Q336Q336-K338 PolarHBondContact O-N 3.39Å; Q336-K338 VanDerWaalsContact O-N 3.1Å
339G70.7Confident77.3Confident62 Ų62113.2 Ų113.264%0.63952%0.523SS*.SBendtrans81.3-179.717800000114.5F341G339-F341 PolarHBondContact O-N 2.91Å
340E65.3Low76.8Confident192 Ų192112.5 Ų112.590%0.89753%0.525SS*.  trans-73.6110.5-175.7-166.7160.4-157.700111.3D342E340-D342 PolarHBondContact O-N 3.43Å; E340-D342 VanDerWaalsContact O-N 3.14Å
341F59.7Low76.4Confident112 Ų112118.2 Ų118.249%0.49156%0.559SS.*  trans-80.396.4-172.5176.1-102.5000111.8W240 G339 P343W240-F341 HydrophobicContact CZ3-CD2 4.14Å; W240-F341 HydrophobicContact CZ3-CG 4.42Å; G339-F341 PolarHBondContact O-N 2.91Å; F341-P343 HydrophobicContact CE1-CB 4.16Å; F341-P343 WeakPolarHBondContact O-CD 3.41Å
342D67.2Low76.1Confident68 Ų68121.3 Ų121.336%0.36457%0.571SS.*  trans-67.6107.3168.5-92.9-55.2000112E340 K344 K345E340-D342 PolarHBondContact O-N 3.43Å; E340-D342 VanDerWaalsContact O-N 3.14Å; D342-K344 PolarHBondContact O-N 3.38Å; D342-K344 VanDerWaalsContact O-N 3.09Å; D342-K345 HydrophobicContact CB-CB 4.21Å; D342-K345 HydrophobicContact CB-CD 3.76Å; D342-K345 HydrophobicContact CB-CG 3.78Å; D342-K345 PolarHBondContact O-N 3.07Å; D342-K345 WeakPolarHBondContact OD2-CE 3.23Å; D342-K345 IonicContact OD2-NZ 3.51Å; D342-K345 PolarHBondContact OD2-NZ 2.82Å
343P65.1Low75.7Confident64 Ų64120.3 Ų120.342%0.41657%0.57SS.*THydrogen-bonded Turntrans-69.1-10.7176.131.8-37.1000112.7F341F341-P343 HydrophobicContact CE1-CB 4.16Å; F341-P343 WeakPolarHBondContact O-CD 3.41Å
344K67.8Low75.4Confident188 Ų188127 Ų12782%0.81760%0.598SS**THydrogen-bonded Turntrans-81.8-27.2179.8-64.8176.6-178171.20113.4D342 R346D342-K344 PolarHBondContact O-N 3.38Å; D342-K344 VanDerWaalsContact O-N 3.09Å; K344-R346 PolarHBondContact O-N 2.95Å; K344-R346 VanDerWaalsContact O-N 3.12Å
345K68.2Low75.5Confident162 Ų162126.6 Ų126.670%0.70460%0.596SS**SBendtrans-70.5-4.5-175.2-76.3178.5178.6145.90114.3D342D342-K345 HydrophobicContact CB-CB 4.21Å; D342-K345 HydrophobicContact CB-CD 3.76Å; D342-K345 HydrophobicContact CB-CG 3.78Å; D342-K345 PolarHBondContact O-N 3.07Å; D342-K345 WeakPolarHBondContact OD2-CE 3.23Å; D342-K345 IonicContact OD2-NZ 3.51Å; D342-K345 PolarHBondContact OD2-NZ 2.82Å
346R63.7Low75.5Confident180 Ų180129.9 Ų129.968%0.67961%0.61SS**SBendtrans-123.7116.1176.9-63.2-176.668.2-162.6-1110.8K344 R348K344-R346 PolarHBondContact O-N 2.95Å; K344-R346 VanDerWaalsContact O-N 3.12Å; R346-R348 PolarHBondContact O-N 3.12Å; R346-R348 VanDerWaalsContact O-N 3.17Å
347R71.5Confident75.6Confident145 Ų145124.2 Ų124.255%0.54759%0.585SS.*PPolyproline II helixtrans-57.6121.1171.4-175.2166.883.386.8-18.3109.3F280 L349 E353F280-R347 VanDerWaalsContact CZ-NH2 3.25Å; R347-L349 PolarHBondContact O-N 3.09Å; R347-E353 IonicContact CZ-OE1 3.94Å; R347-E353 IonicContact CZ-OE2 2.68Å; R347-E353 IonicContact NH1-OE1 3.63Å; R347-E353 PolarHBondContact NH1-OE1 3.01Å; R347-E353 VanDerWaalsContact NH1-OE1 3.16Å; R347-E353 IonicContact NH1-OE2 3.77Å; R347-E353 PolarHBondContact NH1-OE2 2.66Å; R347-E353 IonicContact NH2-OE1 2.69Å; R347-E353 PolarHBondContact NH2-OE1 2.77Å; R347-E353 IonicContact NH2-OE2 3.94Å
348R74Confident75.9Confident216 Ų216125.9 Ų125.982%0.81558%0.584SS**PPolyproline II helixtrans-69.3130.9171.4-70.2-174.5174.1-162.1-3.5108.9R346 T350R346-R348 PolarHBondContact O-N 3.12Å; R346-R348 VanDerWaalsContact O-N 3.17Å; R348-T350 PolarHBondContact O-N 3.17Å
349L75.6Confident76.9Confident55 Ų55121.9 Ų121.929%0.28857%0.569SS.*PPolyproline II helixtrans-68.6126.1179.2-165.266.9000109.5P279 F280 R347 E353 K354 L357P279-L349 HydrophobicContact CB-CD1 4.19Å; F280-L349 HydrophobicContact CE1-CD1 3.65Å; F280-L349 HydrophobicContact CZ-CD1 3.51Å; R347-L349 PolarHBondContact O-N 3.09Å; L349-E353 HydrophobicContact CD1-CB 3.47Å; L349-E353 VanDerWaalsContact CD1-CB 3.47Å; L349-E353 HydrophobicContact CD1-CG 4.37Å; L349-E353 HydrophobicContact CG-CB 3.7Å; L349-K354 HydrophobicContact CD2-CB 3.97Å; L349-K354 HydrophobicContact CD2-CG 4.46Å; L349-K354 HydrophobicContact CG-CB 4.31Å; L349-L357 HydrophobicContact CD2-CB 4.4Å; L349-L357 HydrophobicContact CD2-CD2 3.85Å
350T84.7Confident77.6Confident74 Ų74122.7 Ų122.745%0.45456%0.556SS.*PPolyproline II helixtrans-63.3152.5-179.7-46.30000110.1R348 K352 E353 K354R348-T350 PolarHBondContact O-N 3.17Å; T350-K352 PolarHBondContact O-N 3.49Å; T350-E353 WeakPolarHBondContact CB-OE2 3.31Å; T350-E353 PolarHBondContact N-OE2 3.16Å; T350-E353 CarbonylContact O-C 3.47Å; T350-E353 WeakPolarHBondContact O-CA 3.4Å; T350-E353 WeakPolarHBondContact O-CB 3.44Å; T350-E353 PolarHBondContact O-N 2.8Å; T350-E353 PolarHBondContact OG1-OE2 2.67Å; T350-K354 PolarHBondContact O-N 2.72Å
351V87.4Confident78.6Confident125 Ų125115.6 Ų115.676%0.75852%0.523SS*.Hα-helixtrans-52.4-42.4178.8-176.50000112.2K354 K355V351-K354 PolarHBondContact O-N 2.97Å; V351-K355 PolarHBondContact O-N 3.08Å
352K86.7Confident80Confident181 Ų181114.5 Ų114.579%0.78752%0.519SS*.Hα-helixtrans-61.4-44174.8-65.5-177.5178.6179.50112.5T350 K355 K356T350-K352 PolarHBondContact O-N 3.49Å; K352-K355 PolarHBondContact O-N 3.09Å; K352-K356 PolarHBondContact O-N 3.4Å
353E86.1Confident80.9Confident54 Ų54115.1 Ų115.125%0.25252%0.523SS..Hα-helixtrans-69.3-38.4178.6-60.4172.8117.200111.6R347 L349 T350 K356 L357R347-E353 IonicContact CZ-OE1 3.94Å; R347-E353 IonicContact CZ-OE2 2.68Å; R347-E353 IonicContact NH1-OE1 3.63Å; R347-E353 PolarHBondContact NH1-OE1 3.01Å; R347-E353 VanDerWaalsContact NH1-OE1 3.16Å; R347-E353 IonicContact NH1-OE2 3.77Å; R347-E353 PolarHBondContact NH1-OE2 2.66Å; R347-E353 IonicContact NH2-OE1 2.69Å; R347-E353 PolarHBondContact NH2-OE1 2.77Å; R347-E353 IonicContact NH2-OE2 3.94Å; L349-E353 HydrophobicContact CD1-CB 3.47Å; L349-E353 VanDerWaalsContact CD1-CB 3.47Å; L349-E353 HydrophobicContact CD1-CG 4.37Å; L349-E353 HydrophobicContact CG-CB 3.7Å; T350-E353 WeakPolarHBondContact CB-OE2 3.31Å; T350-E353 PolarHBondContact N-OE2 3.16Å; T350-E353 CarbonylContact O-C 3.47Å; T350-E353 WeakPolarHBondContact O-CA 3.4Å; T350-E353 WeakPolarHBondContact O-CB 3.44Å; T350-E353 PolarHBondContact O-N 2.8Å; T350-E353 PolarHBondContact OG1-OE2 2.67Å; E353-K356 PolarHBondContact O-N 3.37Å; E353-L357 WeakPolarHBondContact O-CB 3.48Å; E353-L357 PolarHBondContact O-N 2.86Å
354K86.2Confident81.8Confident145 Ų145116.8 Ų116.863%0.6353%0.527SS*.Hα-helixtrans-65.2-39.3174.5-172.8-178.2177.4-174.60111.7L349 T350 V351 K358L349-K354 HydrophobicContact CD2-CB 3.97Å; L349-K354 HydrophobicContact CD2-CG 4.46Å; L349-K354 HydrophobicContact CG-CB 4.31Å; T350-K354 PolarHBondContact O-N 2.72Å; V351-K354 PolarHBondContact O-N 2.97Å; K354-K358 WeakPolarHBondContact O-CB 3.44Å; K354-K358 PolarHBondContact O-N 3.22Å
355K89.3Confident82.5Confident139 Ų139111.6 Ų111.660%0.60451%0.505SS*.Hα-helixtrans-61.6-50.5172.1-175.4175.7178.1177.70110.5V351 K352 L357 K358 E359V351-K355 PolarHBondContact O-N 3.08Å; K352-K355 PolarHBondContact O-N 3.09Å; K355-L357 PolarHBondContact O-N 2.79Å; K355-K358 PolarHBondContact O-N 2.7Å; K355-E359 WeakPolarHBondContact O-CB 3.43Å; K355-E359 PolarHBondContact O-N 3.18Å
356K87.3Confident83.2Confident131 Ų131111.1 Ų111.157%0.5750%0.499SS*.Hα-helixtrans-58.3-43.6177.8-172.5-177.9177.6-174.70112.4K352 E353 E359 Q360K352-K356 PolarHBondContact O-N 3.4Å; E353-K356 PolarHBondContact O-N 3.37Å; K356-E359 PolarHBondContact O-N 2.95Å; K356-Q360 WeakPolarHBondContact O-CB 3.47Å; K356-Q360 VanDerWaalsContact O-CG 3.28Å; K356-Q360 WeakPolarHBondContact O-CG 3.27Å; K356-Q360 PolarHBondContact O-N 3.44Å; K356-Q360 PolarHBondContact O-OE1 2.85Å
357L83.6Confident83.9Confident36 Ų36113.6 Ų113.619%0.18851%0.508CS..Hα-helixtrans-63.6-43.3177.8-174.669.4000111.8P279 L349 E353 K355 Q360 Q361P279-L357 HydrophobicContact CB-CD1 4.17Å; P279-L357 HydrophobicContact CB-CD2 4.17Å; L349-L357 HydrophobicContact CD2-CB 4.4Å; L349-L357 HydrophobicContact CD2-CD2 3.85Å; E353-L357 WeakPolarHBondContact O-CB 3.48Å; E353-L357 PolarHBondContact O-N 2.86Å; K355-L357 PolarHBondContact O-N 2.79Å; L357-Q360 PolarHBondContact O-N 3.27Å; L357-Q361 WeakPolarHBondContact O-CB 3.36Å; L357-Q361 VanDerWaalsContact O-CG 3.23Å; L357-Q361 WeakPolarHBondContact O-CG 3.24Å; L357-Q361 PolarHBondContact O-N 3.35Å
358K86.4Confident83.6Confident111 Ų111110 Ų11048%0.48351%0.505SS..Hα-helixtrans-64.5-42.6175.4-177.2176179-73.50111.5K354 K355 Q361 E362K354-K358 WeakPolarHBondContact O-CB 3.44Å; K354-K358 PolarHBondContact O-N 3.22Å; K355-K358 PolarHBondContact O-N 2.7Å; K358-Q361 PolarHBondContact O-N 2.95Å; K358-E362 WeakPolarHBondContact CE-OE1 3.14Å; K358-E362 HydrophobicContact CG-CG 4.46Å; K358-E362 IonicContact NZ-OE1 2.67Å; K358-E362 PolarHBondContact NZ-OE1 2.84Å; K358-E362 IonicContact NZ-OE2 3.76Å; K358-E362 PolarHBondContact NZ-OE2 3.47Å; K358-E362 WeakPolarHBondContact O-CB 3.3Å; K358-E362 WeakPolarHBondContact O-CG 3.43Å; K358-E362 PolarHBondContact O-N 3.16Å
359E87.7Confident83.4Confident119 Ų119105.3 Ų105.356%0.55650%0.495SS*.Hα-helixtrans-63.7-40.1176.8-176.2177.2179.100112K355 K356 E362 N363K355-E359 WeakPolarHBondContact O-CB 3.43Å; K355-E359 PolarHBondContact O-N 3.18Å; K356-E359 PolarHBondContact O-N 2.95Å; E359-E362 PolarHBondContact O-N 2.66Å; E359-N363 WeakPolarHBondContact O-CB 3.14Å; E359-N363 PolarHBondContact O-N 3.2Å
360Q85.7Confident82.8Confident79 Ų79106.3 Ų106.337%0.36950%0.501SS..Hα-helixtrans-61.5-49.2171-74.4170.4-56.700111.1K356 L357 E362 N363 L364K356-Q360 WeakPolarHBondContact O-CB 3.47Å; K356-Q360 VanDerWaalsContact O-CG 3.28Å; K356-Q360 WeakPolarHBondContact O-CG 3.27Å; K356-Q360 PolarHBondContact O-N 3.44Å; K356-Q360 PolarHBondContact O-OE1 2.85Å; L357-Q360 PolarHBondContact O-N 3.27Å; Q360-E362 VanDerWaalsContact C-N 3.34Å; Q360-E362 PolarHBondContact O-N 2.83Å; Q360-N363 PolarHBondContact O-N 2.94Å; Q360-L364 WeakPolarHBondContact O-CD1 3.26Å; Q360-L364 PolarHBondContact O-N 3.26Å
361Q87.3Confident81.8Confident43 Ų43106.4 Ų106.420%0.20150%0.501CS..Hα-helixtrans-59.2-41.9177.4-73.3170.1-5.600112.3V305 L357 K358 L364 F365V305-Q361 HydrophobicContact CG1-CB 3.76Å; V305-Q361 HydrophobicContact CG1-CG 3.62Å; L357-Q361 WeakPolarHBondContact O-CB 3.36Å; L357-Q361 VanDerWaalsContact O-CG 3.23Å; L357-Q361 WeakPolarHBondContact O-CG 3.24Å; L357-Q361 PolarHBondContact O-N 3.35Å; K358-Q361 PolarHBondContact O-N 2.95Å; Q361-L364 PolarHBondContact O-N 3.16Å; Q361-F365 WeakPolarHBondContact O-CD2 3.12Å
362E88Confident80.5Confident89 Ų89105.1 Ų105.142%0.41650%0.498SS..Hα-helixtrans-71.7-34.6176.7-72.2175.9147.700112.2K358 E359 Q360 L364 F365 R366K358-E362 WeakPolarHBondContact CE-OE1 3.14Å; K358-E362 HydrophobicContact CG-CG 4.46Å; K358-E362 IonicContact NZ-OE1 2.67Å; K358-E362 PolarHBondContact NZ-OE1 2.84Å; K358-E362 IonicContact NZ-OE2 3.76Å; K358-E362 PolarHBondContact NZ-OE2 3.47Å; K358-E362 WeakPolarHBondContact O-CB 3.3Å; K358-E362 WeakPolarHBondContact O-CG 3.43Å; K358-E362 PolarHBondContact O-N 3.16Å; E359-E362 PolarHBondContact O-N 2.66Å; Q360-E362 VanDerWaalsContact C-N 3.34Å; Q360-E362 PolarHBondContact O-N 2.83Å; E362-L364 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 3.42Å; E362-F365 CarbonylContact O-C 3.52Å; E362-F365 PolarHBondContact O-N 3.48Å; E362-R366 PolarHBondContact O-N 3.21Å
363N86.8Confident79.3Confident82 Ų82104.1 Ų104.144%0.43949%0.494SS..Hα-helixtrans-67.2-29.4173.3-175.892.5000112.7E359 Q360 F365 R366E359-N363 WeakPolarHBondContact O-CB 3.14Å; E359-N363 PolarHBondContact O-N 3.2Å; Q360-N363 PolarHBondContact O-N 2.94Å; N363-F365 VanDerWaalsContact C-N 3.31Å; N363-R366 VanDerWaalsContact OD1-CZ 3.28Å; N363-R366 PolarHBondContact OD1-NH1 2.98Å; N363-R366 PolarHBondContact OD1-NH2 3.09Å; N363-R366 VanDerWaalsContact OD1-NH2 3.09Å
364L83Confident78.1Confident98 Ų98110.2 Ų110.251%0.51352%0.52SS..Hα-helixtrans-66.2-30.9171.7-95.477.1000112.7V274 Q360 Q361 E362V274-L364 HydrophobicContact CG1-CD2 3.78Å; Q360-L364 WeakPolarHBondContact O-CD1 3.26Å; Q360-L364 PolarHBondContact O-N 3.26Å; Q361-L364 PolarHBondContact O-N 3.16Å; E362-L364 VanDerWaalsContact C-N 3.32Å; E362-L364 PolarHBondContact O-N 3.42Å
365F83.1Confident77.3Confident79 Ų79107.7 Ų107.735%0.34651%0.512SS..Hα-helixtrans-96.5-8177.8-64-64.6000114.2V274 V305 R306 Q361 E362 N363 W367V274-F365 HydrophobicContact CB-CE1 4.26Å; V274-F365 HydrophobicContact CB-CZ 4.05Å; V274-F365 HydrophobicContact CG2-CE1 3.77Å; V274-F365 HydrophobicContact CG2-CZ 4.07Å; V305-F365 HydrophobicContact CB-CE2 3.96Å; V305-F365 HydrophobicContact CB-CZ 4.06Å; V305-F365 HydrophobicContact CG1-CE2 3.66Å; V305-F365 HydrophobicContact CG1-CZ 4.28Å; R306-F365 HydrophobicContact CG-CE1 4.41Å; R306-F365 HydrophobicContact CG-CE2 3.76Å; R306-F365 HydrophobicContact CG-CZ 3.65Å; Q361-F365 WeakPolarHBondContact O-CD2 3.12Å; E362-F365 CarbonylContact O-C 3.52Å; E362-F365 PolarHBondContact O-N 3.48Å; N363-F365 VanDerWaalsContact C-N 3.31Å; F365-W367 PolarHBondContact O-N 2.75Å
366R83.8Confident76.7Confident153 Ų153106.1 Ų106.158%0.57750%0.502SS*.  trans-67.7110.6-179.4-171.5-178.871.2-116.6-10.3109.3E362 N363 S368E362-R366 PolarHBondContact O-N 3.21Å; N363-R366 VanDerWaalsContact OD1-CZ 3.28Å; N363-R366 PolarHBondContact OD1-NH1 2.98Å; N363-R366 PolarHBondContact OD1-NH2 3.09Å; N363-R366 VanDerWaalsContact OD1-NH2 3.09Å; R366-S368 VanDerWaalsContact C-N 3.32Å; R366-S368 PolarHBondContact O-N 2.78Å
367W77.3Confident76.4Confident232 Ų232101.2 Ų101.288%0.87949%0.489SS*.  trans-62.695.3170.1-170.865000109.6F365F365-W367 PolarHBondContact O-N 2.75Å
368S66.6Low76.5Confident70 Ų70108.2 Ų108.249%0.4952%0.518SS..  trans-98.5127.3169.6-166.40000107.5R366 D370R366-S368 VanDerWaalsContact C-N 3.32Å; R366-S368 PolarHBondContact O-N 2.78Å; S368-D370 PolarHBondContact O-N 3.25Å
369I69.7Low76.6Confident116 Ų116107.7 Ų107.760%0.59552%0.515SS*.  trans-54.2128.9154.2-60.3173.2000106T371I369-T371 HydrophobicContact CG2-CG2 4.32Å; I369-T371 PolarHBondContact O-N 2.72Å
370D63Low76.7Confident76 Ų76103.8 Ų103.841%0.40650%0.497SS..  trans-78.574-179.5-166.8-10.2000110.4S368 S372 K373S368-D370 PolarHBondContact O-N 3.25Å; D370-S372 PolarHBondContact O-N 3.05Å; D370-S372 VanDerWaalsContact O-N 3.14Å; D370-S372 WeakPolarHBondContact OD1-CA 3.02Å; D370-S372 VanDerWaalsContact OD1-CB 3.26Å; D370-S372 WeakPolarHBondContact OD1-CB 3.33Å; D370-S372 PolarHBondContact OD1-N 2.83Å; D370-K373 HydrophobicContact CB-CD 4.37Å; D370-K373 HydrophobicContact CB-CG 4.3Å; D370-K373 PolarHBondContact O-N 3.41Å; D370-K373 VanDerWaalsContact O-N 3.13Å; D370-K373 WeakPolarHBondContact OD2-CE 3.49Å
371T63.3Low77Confident76 Ų76103 Ų10347%0.46649%0.491SS..Hα-helixtrans-60-17.217454.70000112.1I369 K373 F374 I375I369-T371 HydrophobicContact CG2-CG2 4.32Å; I369-T371 PolarHBondContact O-N 2.72Å; T371-K373 VanDerWaalsContact C-N 3.28Å; T371-K373 PolarHBondContact O-N 3.18Å; T371-F374 PolarHBondContact O-N 3.49Å; T371-I375 VanDerWaalsContact O-CB 3.23Å; T371-I375 WeakPolarHBondContact O-CB 3.49Å; T371-I375 WeakPolarHBondContact O-CG1 3.49Å; T371-I375 PolarHBondContact O-N 2.82Å
372S59.7Low77.4Confident98 Ų98101.6 Ų101.669%0.68549%0.485SS*.Hα-helixtrans-75.2-13.1176.5-163.40000113.7D370D370-S372 PolarHBondContact O-N 3.05Å; D370-S372 VanDerWaalsContact O-N 3.14Å; D370-S372 WeakPolarHBondContact OD1-CA 3.02Å; D370-S372 VanDerWaalsContact OD1-CB 3.26Å; D370-S372 WeakPolarHBondContact OD1-CB 3.33Å; D370-S372 PolarHBondContact OD1-N 2.83Å
373K61Low77.7Confident161 Ų16197.4 Ų97.470%0.747%0.466SS*.Hα-helixtrans-81.2-31.1171.5-63.7-174.3-171-172.60113D370 T371D370-K373 HydrophobicContact CB-CD 4.37Å; D370-K373 HydrophobicContact CB-CG 4.3Å; D370-K373 PolarHBondContact O-N 3.41Å; D370-K373 VanDerWaalsContact O-N 3.13Å; D370-K373 WeakPolarHBondContact OD2-CE 3.49Å; T371-K373 VanDerWaalsContact C-N 3.28Å; T371-K373 PolarHBondContact O-N 3.18Å
374F60.9Low78.1Confident182 Ų18293.5 Ų93.580%0.79845%0.445SS*.Hα-helixtrans-103.2-30.1-175.1-61.7-78.4000113.1T371T371-F374 PolarHBondContact O-N 3.49Å
375I69.2Low78.6Confident91 Ų9188.9 Ų88.947%0.46742%0.421SS..SBendtrans-92.5108.8178.1-55.8179.8000109.6T371T371-I375 VanDerWaalsContact O-CB 3.23Å; T371-I375 WeakPolarHBondContact O-CB 3.49Å; T371-I375 WeakPolarHBondContact O-CG1 3.49Å; T371-I375 PolarHBondContact O-N 2.82Å
376R78.4Confident79.1Confident107 Ų10786.8 Ų86.840%0.40441%0.411SS..  trans-48.4142169.7-71.7177.6176.1-157.40.3112.2E380 P439 D443R376-E380 HydrophobicContact CB-CB 4.36Å; R376-E380 WeakPolarHBondContact CB-OE1 3.47Å; R376-E380 WeakPolarHBondContact CD-OE2 3.24Å; R376-P439 HydrophobicContact CB-CB 3.88Å; R376-P439 HydrophobicContact CB-CG 3.89Å; R376-P439 HydrophobicContact CG-CG 4.45Å; R376-D443 IonicContact CZ-OD2 2.7Å; R376-D443 IonicContact NH1-OD1 2.61Å; R376-D443 IonicContact NH1-OD2 2.66Å; R376-D443 PolarHBondContact NH1-OD2 3.06Å; R376-D443 IonicContact NH2-OD2 3.81Å
377G80.2Confident79.4Confident28 Ų2882.4 Ų82.429%0.28940%0.4SS..  trans-62158-166.300000114.1K379 E380G377-K379 PolarHBondContact O-N 2.89Å; G377-K379 VanDerWaalsContact O-N 3.16Å; G377-E380 PolarHBondContact N-OE1 3.4Å; G377-E380 WeakPolarHBondContact O-CB 3.45Å; G377-E380 PolarHBondContact O-N 2.95Å
378K85.2Confident80Confident183 Ų18371.4 Ų71.480%0.79636%0.358SS*.G310 helixtrans-55.1-36.2179-65.3-176.1-176.8178.70112.7E380 R381K378-E380 VanDerWaalsContact C-N 3.28Å; K378-E380 PolarHBondContact O-N 2.85Å; K378-R381 PolarHBondContact O-N 2.67Å
379K88.6Confident81.1Confident99 Ų9968.1 Ų68.143%0.4334%0.335SS..G310 helixtrans-59.7-32.8175.159.6169.8-177.2172.90114G377 R381 V382 W471 D472G377-K379 PolarHBondContact O-N 2.89Å; G377-K379 VanDerWaalsContact O-N 3.16Å; K379-R381 PolarHBondContact O-N 3.29Å; K379-R381 VanDerWaalsContact O-N 3.16Å; K379-V382 PolarHBondContact O-N 2.61Å; K379-W471 HydrophobicContact CB-CE3 4.09Å; K379-W471 HydrophobicContact CB-CZ3 4.47Å; K379-D472 WeakPolarHBondContact CD-O 3.45Å; K379-D472 PolarHBondContact NZ-O 3.49Å
380E90.3Very high81.9Confident37 Ų3764.6 Ų64.617%0.17332%0.317CS..G310 helixtrans-73-8.9-174.7-58.1-174.8-12300113.1R376 G377 K378 P439 A442 R470R376-E380 HydrophobicContact CB-CB 4.36Å; R376-E380 WeakPolarHBondContact CB-OE1 3.47Å; R376-E380 WeakPolarHBondContact CD-OE2 3.24Å; G377-E380 PolarHBondContact N-OE1 3.4Å; G377-E380 WeakPolarHBondContact O-CB 3.45Å; G377-E380 PolarHBondContact O-N 2.95Å; K378-E380 VanDerWaalsContact C-N 3.28Å; K378-E380 PolarHBondContact O-N 2.85Å; E380-P439 HydrophobicContact CB-CB 4.3Å; E380-A442 VanDerWaalsContact O-CB 3.29Å; E380-A442 WeakPolarHBondContact O-CB 3.48Å; E380-R470 VanDerWaalsContact CD-NH1 3.33Å; E380-R470 IonicContact OE2-CZ 3.2Å; E380-R470 IonicContact OE2-NH1 2.65Å; E380-R470 PolarHBondContact OE2-NH1 2.74Å; E380-R470 IonicContact OE2-NH2 2.73Å; E380-R470 PolarHBondContact OE2-NH2 3.38Å
381R92.3Very high83.1Confident62 Ų6263.2 Ų63.223%0.23431%0.308CS..G310 helixtrans-93.4-1.9175.2-42.8-177.9-159.6-165.84.3112.3K378 K379 T435 F436 S437 P439K378-R381 PolarHBondContact O-N 2.67Å; K379-R381 PolarHBondContact O-N 3.29Å; K379-R381 VanDerWaalsContact O-N 3.16Å; R381-T435 WeakPolarHBondContact O-CA 3.37Å; R381-F436 PolarHBondContact O-N 3.46Å; R381-S437 PolarHBondContact NH1-O 3.26Å; R381-P439 HydrophobicContact CG-CB 4.26Å
382V94.5Very high84.2Confident15 Ų1562.1 Ų62.19%0.09130%0.303CS..EExtended strand (participates in β ladder)trans-107.3117.9-176.4-174.80000109.2K379 I384 V434 T435 W471K379-V382 PolarHBondContact O-N 2.61Å; V382-I384 HydrophobicContact CG1-CD1 4.08Å; V382-V434 WeakPolarHBondContact CA-O 3.35Å; V382-T435 HydrophobicContact CG2-CG2 4.22Å; V382-W471 HydrophobicContact CB-CB 3.83Å; V382-W471 HydrophobicContact CB-CD2 4.43Å; V382-W471 HydrophobicContact CB-CE3 3.94Å; V382-W471 HydrophobicContact CB-CG 4.44Å; V382-W471 HydrophobicContact CG1-CB 3.86Å; V382-W471 HydrophobicContact CG1-CD2 4.29Å; V382-W471 HydrophobicContact CG1-CE3 4.13Å; V382-W471 HydrophobicContact CG1-CG 4.21Å; V382-W471 HydrophobicContact CG2-CE3 3.96Å; V382-W471 WeakPolarHBondContact O-CB 3.45Å; V382-W471 PolarHBondContact O-N 2.83Å
383V94.8Very high85.5Confident0 Ų057.8 Ų57.80%027%0.272CS..EExtended strand (participates in β ladder)trans-102.5135.5173.4-178.30000108.1L385 V434 F436 A442 I446 A468 E469V383-L385 HydrophobicContact CG1-CD2 3.93Å; V383-V434 PolarHBondContact N-O 3.34Å; V383-V434 PolarHBondContact O-N 3.26Å; V383-F436 HydrophobicContact CB-CE2 4.1Å; V383-F436 HydrophobicContact CG2-CD2 3.86Å; V383-F436 HydrophobicContact CG2-CE2 3.65Å; V383-A442 HydrophobicContact CG2-CB 3.78Å; V383-I446 HydrophobicContact CB-CG1 4.4Å; V383-I446 HydrophobicContact CG1-CG1 3.78Å; V383-I446 HydrophobicContact CG2-CD1 4.13Å; V383-I446 HydrophobicContact CG2-CG1 3.79Å; V383-A468 HydrophobicContact CG1-CB 4.27Å; V383-E469 WeakPolarHBondContact CA-O 3.42Å
384I95.2Very high86.7Confident1 Ų150.6 Ų50.61%0.00524%0.241CC..EExtended strand (participates in β ladder)trans-102.8122.9174.7-52.9-56.5000107.3V382 V431 A468 E469 W471 Y477V382-I384 HydrophobicContact CG1-CD1 4.08Å; I384-V431 HydrophobicContact CG2-CG1 3.54Å; I384-A468 WeakPolarHBondContact O-CA 3.49Å; I384-E469 PolarHBondContact N-O 2.99Å; I384-E469 PolarHBondContact O-N 3.33Å; I384-W471 HydrophobicContact CD1-CB 4.02Å; I384-W471 HydrophobicContact CD1-CG 4.08Å; I384-W471 HydrophobicContact CG1-CB 3.95Å; I384-W471 HydrophobicContact CG1-CG 4.31Å; I384-Y477 HydrophobicContact CD1-CD2 3.99Å; I384-Y477 HydrophobicContact CD1-CE2 3.55Å; I384-Y477 HydrophobicContact CG1-CE2 3.72Å; I384-Y477 HydrophobicContact CG2-CD2 4.5Å; I384-Y477 HydrophobicContact CG2-CE1 4.19Å; I384-Y477 HydrophobicContact CG2-CE2 4.01Å
385L94.1Very high87.9Confident0 Ų048.2 Ų48.20%023%0.233CC..EExtended strand (participates in β ladder)trans-104.9114.8174.8-57.1179.7000108.5V383 L408 V431 V432 V434 L449 E467 A468V383-L385 HydrophobicContact CG1-CD2 3.93Å; L385-L408 HydrophobicContact CD1-CD2 4.14Å; L385-V431 CarbonylContact O-C 3.56Å; L385-V431 WeakPolarHBondContact O-CA 3.26Å; L385-V432 HydrophobicContact CB-CB 4.5Å; L385-V432 PolarHBondContact N-O 3.37Å; L385-V432 PolarHBondContact O-N 2.65Å; L385-V434 HydrophobicContact CD1-CG2 3.86Å; L385-V434 HydrophobicContact CG-CG2 4.32Å; L385-L449 HydrophobicContact CD1-CD1 4.22Å; L385-L449 HydrophobicContact CD2-CB 3.91Å; L385-L449 HydrophobicContact CD2-CD1 3.87Å; L385-L449 HydrophobicContact CD2-CG 4.48Å; L385-E467 CarbonylContact C-O 3.46Å; L385-E467 WeakPolarHBondContact CA-O 3.47Å; L385-A468 HydrophobicContact CD2-CB 3.67Å
386K93.1Very high88.7Confident36 Ų3652.8 Ų52.816%0.15724%0.244CC..EExtended strand (participates in β ladder)trans-91.3163.1171.3-63171173.3171.80110.5A388 V431 E467 E469K386-A388 PolarHBondContact O-N 3.44Å; K386-V431 HydrophobicContact CG-CG2 4.31Å; K386-E467 HydrophobicContact CB-CB 4.22Å; K386-E467 HydrophobicContact CD-CG 4.37Å; K386-E467 WeakPolarHBondContact CD-OE2 3.39Å; K386-E467 PolarHBondContact N-O 3.37Å; K386-E467 IonicContact NZ-OE2 2.81Å; K386-E467 PolarHBondContact O-N 3.03Å; K386-E469 WeakPolarHBondContact CE-OE2 3.19Å; K386-E469 IonicContact NZ-OE1 3.97Å; K386-E469 PolarHBondContact NZ-OE1 2.89Å; K386-E469 IonicContact NZ-OE2 3.31Å; K386-E469 PolarHBondContact NZ-OE2 2.75Å; K386-E469 VanDerWaalsContact NZ-OE2 3.09Å
387N90.2Very high89.2Confident61 Ų6150.6 Ų50.633%0.32624%0.24SC..SBendtrans62.918.9174.7-158.447.2000114.8F389 E429 G430 R464 Q465N387-F389 PolarHBondContact O-N 3.14Å; N387-E429 VanDerWaalsContact CA-O 3.27Å; N387-E429 WeakPolarHBondContact CA-O 3.41Å; N387-E429 PolarHBondContact N-O 3.02Å; N387-G430 PolarHBondContact N-O 3.05Å; N387-R464 VanDerWaalsContact CG-NH1 3.29Å; N387-R464 PolarHBondContact O-NH1 2.87Å; N387-R464 PolarHBondContact OD1-NH1 3.32Å; N387-R464 PolarHBondContact OD1-NH2 3.09Å; N387-Q465 PolarHBondContact ND2-O 2.66Å
388A89.2Confident89.6Confident0 Ų054.1 Ų54.10%026%0.256CS..SBendtrans-77.9-18.8-173.600000114.5K386 L408 G430 V432 L466K386-A388 PolarHBondContact O-N 3.44Å; A388-L408 HydrophobicContact CB-CD1 4.09Å; A388-G430 WeakPolarHBondContact CB-O 3.49Å; A388-G430 PolarHBondContact N-O 2.9Å; A388-V432 HydrophobicContact CB-CG2 4.08Å; A388-L466 HydrophobicContact CB-CD2 3.69Å
389F89.4Confident89.7Confident1 Ų149.4 Ų49.40%0.00424%0.243CC..SBendtrans-153.2177175.760.7-90.2000110.7N387 F394 V423 H424 G430 V431 V432 Y457 R464N387-F389 PolarHBondContact O-N 3.14Å; F389-F394 HydrophobicContact CB-CE1 4.2Å; F389-F394 HydrophobicContact CB-CE2 3.97Å; F389-F394 HydrophobicContact CB-CZ 3.67Å; F389-F394 AromaticContact CD1-CE2 3.7Å; F389-F394 HydrophobicContact CD1-CE2 3.7Å; F389-F394 AromaticContact CD1-CZ 3.95Å; F389-F394 HydrophobicContact CD1-CZ 3.95Å; F389-F394 AromaticContact CD2-CD2 3.43Å; F389-F394 HydrophobicContact CD2-CD2 3.43Å; F389-F394 VanDerWaalsContact CD2-CD2 3.43Å; F389-F394 AromaticContact CD2-CE2 3.13Å; F389-F394 HydrophobicContact CD2-CE2 3.13Å; F389-F394 HydrophobicContact CD2-CG 4.29Å; F389-F394 AromaticContact CD2-CZ 3.78Å; F389-F394 HydrophobicContact CD2-CZ 3.78Å; F389-F394 AromaticContact CE1-CE2 3.92Å; F389-F394 HydrophobicContact CE1-CE2 3.92Å; F389-F394 AromaticContact CE2-CD2 3.56Å; F389-F394 HydrophobicContact CE2-CD2 3.56Å; F389-F394 AromaticContact CE2-CE2 3.38Å; F389-F394 HydrophobicContact CE2-CE2 3.38Å; F389-F394 HydrophobicContact CE2-CZ 4.41Å; F389-F394 HydrophobicContact CG-CD2 4.08Å; F389-F394 HydrophobicContact CG-CE1 4.42Å; F389-F394 AromaticContact CG-CE2 3.31Å; F389-F394 HydrophobicContact CG-CE2 3.31Å; F389-F394 AromaticContact CG-CZ 3.53Å; F389-F394 HydrophobicContact CG-CZ 3.53Å; F389-F394 HydrophobicContact CZ-CD2 4.29Å; F389-F394 AromaticContact CZ-CE2 3.77Å; F389-F394 HydrophobicContact CZ-CE2 3.77Å; F389-V423 HydrophobicContact CD1-CG1 4.18Å; F389-V423 HydrophobicContact CE1-CG1 3.61Å; F389-V423 HydrophobicContact CZ-CG1 4Å; F389-H424 WeakPolarHBondContact CZ-O 3.49Å; F389-G430 WeakPolarHBondContact CE1-O 3.17Å; F389-G430 WeakPolarHBondContact O-CA 3.32Å; F389-V431 WeakPolarHBondContact CE1-O 3.15Å; F389-V432 HydrophobicContact CD1-CG2 4.04Å; F389-V432 HydrophobicContact CE1-CG2 3.75Å; F389-Y457 HydrophobicContact CB-CE2 3.71Å; F389-R464 PolarHBondContact O-NH1 3.34Å
390I87.2Confident89.7Confident43 Ų4345.5 Ų45.522%0.22123%0.226CC..  trans-114.2128.6171.9-57.1178.4000108.1S392 D393 F394 Y457I390-S392 VanDerWaalsContact C-N 3.27Å; I390-S392 PolarHBondContact O-N 3.04Å; I390-D393 HydrophobicContact CB-CB 4.45Å; I390-D393 PolarHBondContact O-N 3.23Å; I390-F394 PolarHBondContact O-N 3.47Å; I390-Y457 HydrophobicContact CG1-CE1 4.44Å; I390-Y457 PolarHBondContact N-OH 2.87Å
391E87.8Confident89.7Confident47 Ų4745.3 Ų45.322%0.2223%0.226CC..Hα-helixtrans-51.9-46178.5-172.2-168.6152.400111.6D393 F394 Q395 P428E391-D393 PolarHBondContact O-N 3.15Å; E391-F394 PolarHBondContact O-N 3.16Å; E391-Q395 WeakPolarHBondContact O-CG 3.39Å; E391-Q395 PolarHBondContact O-N 3.04Å; E391-Q395 PolarHBondContact OE1-NE2 2.84Å; E391-P428 WeakPolarHBondContact OE2-CA 3.46Å; E391-P428 WeakPolarHBondContact OE2-CB 3.46Å; E391-P428 WeakPolarHBondContact OE2-CD 3.37Å
392S87Confident89.7Confident53 Ų5345.4 Ų45.437%0.37124%0.235SC..Hα-helixtrans-62.7-21.1179-48.40000115.1I390 R396I390-S392 VanDerWaalsContact C-N 3.27Å; I390-S392 PolarHBondContact O-N 3.04Å; S392-R396 VanDerWaalsContact O-CD 3.28Å; S392-R396 WeakPolarHBondContact O-CD 3.36Å; S392-R396 WeakPolarHBondContact O-CG 3.28Å; S392-R396 PolarHBondContact O-N 3.39Å
393D86.9Confident89.5Confident7 Ų748 Ų484%0.03725%0.248CC..Hα-helixtrans-79.4-36.3173.5-77.6-28.4000110.8I390 E391 R396 D397 L400 Y457 G459 S460I390-D393 HydrophobicContact CB-CB 4.45Å; I390-D393 PolarHBondContact O-N 3.23Å; E391-D393 PolarHBondContact O-N 3.15Å; D393-R396 PolarHBondContact O-N 3.41Å; D393-R396 IonicContact OD1-NH1 2.61Å; D393-D397 PolarHBondContact O-N 3.13Å; D393-L400 HydrophobicContact CB-CD1 4.15Å; D393-Y457 WeakPolarHBondContact CB-OH 3.46Å; D393-Y457 WeakPolarHBondContact OD2-CE1 3.24Å; D393-Y457 PolarHBondContact OD2-OH 2.86Å; D393-G459 WeakPolarHBondContact OD2-CA 3.44Å; D393-S460 VanDerWaalsContact CG-N 3.33Å; D393-S460 WeakPolarHBondContact OD1-CB 3.47Å; D393-S460 PolarHBondContact OD1-N 3.29Å; D393-S460 PolarHBondContact OD1-OG 3.39Å; D393-S460 PolarHBondContact OD2-N 3.41Å; D393-S460 PolarHBondContact OD2-OG 3.26Å
394F87.2Confident89.4Confident9 Ų948 Ų484%0.03925%0.248CC..Hα-helixtrans-72-32.8172.9-68.8-14.3000113F389 I390 E391 R396 D397 V398 L400 I401 V404 V423 D425F389-F394 HydrophobicContact CB-CE1 4.2Å; F389-F394 HydrophobicContact CB-CE2 3.97Å; F389-F394 HydrophobicContact CB-CZ 3.67Å; F389-F394 AromaticContact CD1-CE2 3.7Å; F389-F394 HydrophobicContact CD1-CE2 3.7Å; F389-F394 AromaticContact CD1-CZ 3.95Å; F389-F394 HydrophobicContact CD1-CZ 3.95Å; F389-F394 AromaticContact CD2-CD2 3.43Å; F389-F394 HydrophobicContact CD2-CD2 3.43Å; F389-F394 VanDerWaalsContact CD2-CD2 3.43Å; F389-F394 AromaticContact CD2-CE2 3.13Å; F389-F394 HydrophobicContact CD2-CE2 3.13Å; F389-F394 HydrophobicContact CD2-CG 4.29Å; F389-F394 AromaticContact CD2-CZ 3.78Å; F389-F394 HydrophobicContact CD2-CZ 3.78Å; F389-F394 AromaticContact CE1-CE2 3.92Å; F389-F394 HydrophobicContact CE1-CE2 3.92Å; F389-F394 AromaticContact CE2-CD2 3.56Å; F389-F394 HydrophobicContact CE2-CD2 3.56Å; F389-F394 AromaticContact CE2-CE2 3.38Å; F389-F394 HydrophobicContact CE2-CE2 3.38Å; F389-F394 HydrophobicContact CE2-CZ 4.41Å; F389-F394 HydrophobicContact CG-CD2 4.08Å; F389-F394 HydrophobicContact CG-CE1 4.42Å; F389-F394 AromaticContact CG-CE2 3.31Å; F389-F394 HydrophobicContact CG-CE2 3.31Å; F389-F394 AromaticContact CG-CZ 3.53Å; F389-F394 HydrophobicContact CG-CZ 3.53Å; F389-F394 HydrophobicContact CZ-CD2 4.29Å; F389-F394 AromaticContact CZ-CE2 3.77Å; F389-F394 HydrophobicContact CZ-CE2 3.77Å; I390-F394 PolarHBondContact O-N 3.47Å; E391-F394 PolarHBondContact O-N 3.16Å; F394-R396 PolarHBondContact O-N 2.7Å; F394-D397 CarbonylContact O-C 3.57Å; F394-V398 PolarHBondContact O-N 2.99Å; F394-L400 HydrophobicContact CD1-CB 3.86Å; F394-L400 HydrophobicContact CE1-CB 3.79Å; F394-I401 HydrophobicContact CB-CD1 4.39Å; F394-I401 HydrophobicContact CB-CG1 4.22Å; F394-I401 HydrophobicContact CD1-CG1 3.69Å; F394-I401 HydrophobicContact CD2-CD1 4.26Å; F394-I401 HydrophobicContact CD2-CG1 3.74Å; F394-I401 HydrophobicContact CE1-CB 4.46Å; F394-I401 HydrophobicContact CE1-CG1 3.85Å; F394-I401 HydrophobicContact CE2-CG1 3.89Å; F394-I401 HydrophobicContact CG-CD1 4.24Å; F394-I401 HydrophobicContact CG-CG1 3.63Å; F394-I401 HydrophobicContact CZ-CB 4.43Å; F394-I401 HydrophobicContact CZ-CG1 3.94Å; F394-V404 HydrophobicContact CE1-CB 4.47Å; F394-V404 HydrophobicContact CE1-CG2 4Å; F394-V404 HydrophobicContact CZ-CB 4.15Å; F394-V404 HydrophobicContact CZ-CG1 4.35Å; F394-V404 HydrophobicContact CZ-CG2 4.09Å; F394-V423 HydrophobicContact CE2-CG1 3.64Å; F394-V423 HydrophobicContact CZ-CG1 4.16Å; F394-D425 HydrophobicContact CD2-CB 3.84Å; F394-D425 HydrophobicContact CE2-CB 4.38Å
395Q85.2Confident89.2Confident133 Ų13353 Ų5362%0.62127%0.266SS*.Hα-helixtrans-63-29.4170.5-69.4173-3.200112.6E391E391-Q395 WeakPolarHBondContact O-CG 3.39Å; E391-Q395 PolarHBondContact O-N 3.04Å; E391-Q395 PolarHBondContact OE1-NE2 2.84Å
396R86.9Confident89.2Confident186 Ų18656.9 Ų56.970%0.70228%0.284SS*.Hα-helixtrans-85.2-42.3176.4-72.5166.6178.8166.7-2.4112.6S392 D393 F394S392-R396 VanDerWaalsContact O-CD 3.28Å; S392-R396 WeakPolarHBondContact O-CD 3.36Å; S392-R396 WeakPolarHBondContact O-CG 3.28Å; S392-R396 PolarHBondContact O-N 3.39Å; D393-R396 PolarHBondContact O-N 3.41Å; D393-R396 IonicContact OD1-NH1 2.61Å; F394-R396 PolarHBondContact O-N 2.7Å
397D87.1Confident89.1Confident62 Ų6260.7 Ų60.733%0.33230%0.298SS..  trans-142.6101.5-177.7-177.13.6000111.6D393 F394 T399 L400D393-D397 PolarHBondContact O-N 3.13Å; F394-D397 CarbonylContact O-C 3.57Å; D397-T399 VanDerWaalsContact CG-OG1 3.23Å; D397-T399 PolarHBondContact O-N 3.05Å; D397-T399 WeakPolarHBondContact OD1-CA 3.31Å; D397-T399 VanDerWaalsContact OD1-CB 3.22Å; D397-T399 WeakPolarHBondContact OD1-CB 3.4Å; D397-T399 WeakPolarHBondContact OD1-CG2 3.11Å; D397-T399 PolarHBondContact OD1-N 3.27Å; D397-T399 PolarHBondContact OD1-OG1 2.87Å; D397-T399 PolarHBondContact OD2-OG1 2.78Å; D397-T399 VanDerWaalsContact OD2-OG1 3.1Å; D397-L400 HydrophobicContact CB-CD1 4.05Å; D397-L400 HydrophobicContact CB-CG 3.89Å; D397-L400 WeakPolarHBondContact O-CB 3.5Å; D397-L400 WeakPolarHBondContact O-CG 3.45Å; D397-L400 PolarHBondContact O-N 3.14Å
398V88.4Confident89.2Confident101 Ų10157.8 Ų57.861%0.61228%0.282SS*.THydrogen-bonded Turntrans-65.2-21.5177.2-174.10000111.7F394 L400 I401F394-V398 PolarHBondContact O-N 2.99Å; V398-L400 PolarHBondContact O-N 3.14Å; V398-I401 HydrophobicContact CG1-CD1 3.94Å; V398-I401 WeakPolarHBondContact O-CB 3.15Å; V398-I401 WeakPolarHBondContact O-CG1 3.48Å; V398-I401 PolarHBondContact O-N 3.16Å
399T88.4Confident89.4Confident85 Ų8562.1 Ų62.152%0.52130%0.299SS..THydrogen-bonded Turntrans-69.5-17.2178.978.20000112.9D397 I401 P402 I403D397-T399 VanDerWaalsContact CG-OG1 3.23Å; D397-T399 PolarHBondContact O-N 3.05Å; D397-T399 WeakPolarHBondContact OD1-CA 3.31Å; D397-T399 VanDerWaalsContact OD1-CB 3.22Å; D397-T399 WeakPolarHBondContact OD1-CB 3.4Å; D397-T399 WeakPolarHBondContact OD1-CG2 3.11Å; D397-T399 PolarHBondContact OD1-N 3.27Å; D397-T399 PolarHBondContact OD1-OG1 2.87Å; D397-T399 PolarHBondContact OD2-OG1 2.78Å; D397-T399 VanDerWaalsContact OD2-OG1 3.1Å; T399-I401 VanDerWaalsContact C-N 3.28Å; T399-I401 PolarHBondContact O-N 3.2Å; T399-P402 VanDerWaalsContact O-CD 3.25Å; T399-P402 WeakPolarHBondContact O-CD 3.26Å; T399-P402 VanDerWaalsContact O-CG 3.28Å; T399-P402 WeakPolarHBondContact O-CG 3.31Å; T399-I403 WeakPolarHBondContact O-CD1 3.4Å; T399-I403 WeakPolarHBondContact O-CG1 3.26Å
400L88.1Confident89.5Confident17 Ų1766.2 Ų66.29%0.08932%0.323CS..Hα-helixtrans-68.1-26.2173.9-54.1-178.3000112.4D393 F394 D397 V398 I403 V404 P458D393-L400 HydrophobicContact CB-CD1 4.15Å; F394-L400 HydrophobicContact CD1-CB 3.86Å; F394-L400 HydrophobicContact CE1-CB 3.79Å; D397-L400 HydrophobicContact CB-CD1 4.05Å; D397-L400 HydrophobicContact CB-CG 3.89Å; D397-L400 WeakPolarHBondContact O-CB 3.5Å; D397-L400 WeakPolarHBondContact O-CG 3.45Å; D397-L400 PolarHBondContact O-N 3.14Å; V398-L400 PolarHBondContact O-N 3.14Å; L400-I403 HydrophobicContact CD2-CD1 4.5Å; L400-I403 PolarHBondContact O-N 2.92Å; L400-V404 WeakPolarHBondContact O-CB 3.23Å; L400-V404 WeakPolarHBondContact O-CG2 3.47Å; L400-V404 PolarHBondContact O-N 3.24Å; L400-P458 HydrophobicContact CB-CG 4.49Å; L400-P458 HydrophobicContact CD2-CB 4.01Å; L400-P458 HydrophobicContact CD2-CG 3.92Å
401I90.5Very high89.6Confident33 Ų3365.6 Ų65.617%0.16932%0.32CS..Hα-helixtrans-58.6-55.4-178.7-58.9176000112.3F394 V398 T399 I403 V404 R405 V423 D425F394-I401 HydrophobicContact CB-CD1 4.39Å; F394-I401 HydrophobicContact CB-CG1 4.22Å; F394-I401 HydrophobicContact CD1-CG1 3.69Å; F394-I401 HydrophobicContact CD2-CD1 4.26Å; F394-I401 HydrophobicContact CD2-CG1 3.74Å; F394-I401 HydrophobicContact CE1-CB 4.46Å; F394-I401 HydrophobicContact CE1-CG1 3.85Å; F394-I401 HydrophobicContact CE2-CG1 3.89Å; F394-I401 HydrophobicContact CG-CD1 4.24Å; F394-I401 HydrophobicContact CG-CG1 3.63Å; F394-I401 HydrophobicContact CZ-CB 4.43Å; F394-I401 HydrophobicContact CZ-CG1 3.94Å; V398-I401 HydrophobicContact CG1-CD1 3.94Å; V398-I401 WeakPolarHBondContact O-CB 3.15Å; V398-I401 WeakPolarHBondContact O-CG1 3.48Å; V398-I401 PolarHBondContact O-N 3.16Å; T399-I401 VanDerWaalsContact C-N 3.28Å; T399-I401 PolarHBondContact O-N 3.2Å; I401-I403 VanDerWaalsContact C-N 3.27Å; I401-I403 PolarHBondContact O-N 3.15Å; I401-V404 PolarHBondContact O-N 3.47Å; I401-R405 WeakPolarHBondContact O-CB 3.44Å; I401-R405 PolarHBondContact O-N 3.16Å; I401-V423 HydrophobicContact CG2-CB 4.39Å; I401-V423 HydrophobicContact CG2-CG1 4.31Å; I401-D425 HydrophobicContact CD1-CB 3.96Å
402P92.4Very high89.8Confident64 Ų6463.4 Ų63.442%0.41631%0.309SS..Hα-helixtrans-63.9-30.5176.324.4-34.6000113.1T399 E406T399-P402 VanDerWaalsContact O-CD 3.25Å; T399-P402 WeakPolarHBondContact O-CD 3.26Å; T399-P402 VanDerWaalsContact O-CG 3.28Å; T399-P402 WeakPolarHBondContact O-CG 3.31Å; P402-E406 WeakPolarHBondContact O-CB 3.27Å; P402-E406 PolarHBondContact O-N 3.33Å
403I91.3Very high90.1Very high70 Ų7063.7 Ų63.736%0.35932%0.315SS..Hα-helixtrans-67.6-50.3177.5-61169.2000110.4T399 L400 I401 R405 E406 R407 P458T399-I403 WeakPolarHBondContact O-CD1 3.4Å; T399-I403 WeakPolarHBondContact O-CG1 3.26Å; L400-I403 HydrophobicContact CD2-CD1 4.5Å; L400-I403 PolarHBondContact O-N 2.92Å; I401-I403 VanDerWaalsContact C-N 3.27Å; I401-I403 PolarHBondContact O-N 3.15Å; I403-R405 VanDerWaalsContact C-N 3.33Å; I403-R405 PolarHBondContact O-N 2.79Å; I403-E406 PolarHBondContact O-N 2.96Å; I403-E406 VanDerWaalsContact O-N 3.17Å; I403-R407 HydrophobicContact CG2-CG 4.39Å; I403-R407 WeakPolarHBondContact O-CG 3.41Å; I403-R407 PolarHBondContact O-N 2.58Å; I403-P458 HydrophobicContact CG2-CB 4.49Å; I403-P458 HydrophobicContact CG2-CG 3.96Å
404V90.9Very high90.3Very high0 Ų070.6 Ų70.60%035%0.345CS..Hα-helixtrans-60-43.7176.1170.30000110.6F394 L400 I401 E406 R407 L408 F454 Y457 P458F394-V404 HydrophobicContact CE1-CB 4.47Å; F394-V404 HydrophobicContact CE1-CG2 4Å; F394-V404 HydrophobicContact CZ-CB 4.15Å; F394-V404 HydrophobicContact CZ-CG1 4.35Å; F394-V404 HydrophobicContact CZ-CG2 4.09Å; L400-V404 WeakPolarHBondContact O-CB 3.23Å; L400-V404 WeakPolarHBondContact O-CG2 3.47Å; L400-V404 PolarHBondContact O-N 3.24Å; I401-V404 PolarHBondContact O-N 3.47Å; V404-E406 VanDerWaalsContact C-N 3.29Å; V404-E406 PolarHBondContact O-N 2.8Å; V404-R407 PolarHBondContact O-N 3.44Å; V404-L408 HydrophobicContact CG1-CD1 3.8Å; V404-L408 HydrophobicContact CG1-CG 4.36Å; V404-L408 WeakPolarHBondContact O-CB 3.48Å; V404-L408 WeakPolarHBondContact O-CG 3.32Å; V404-L408 PolarHBondContact O-N 3.22Å; V404-F454 HydrophobicContact CG1-CE1 4.44Å; V404-F454 HydrophobicContact CG1-CZ 4.45Å; V404-Y457 HydrophobicContact CG2-CD2 4.06Å; V404-Y457 HydrophobicContact CG2-CE2 3.85Å; V404-P458 HydrophobicContact CG2-CG 4.27Å
405R92.8Very high90.4Very high105 Ų10571.1 Ų71.140%0.39635%0.35SS..Hα-helixtrans-56.8-41.2175.4-170.8-167.670.2177.8-0.7112.2I401 I403 R409 I421 V423I401-R405 WeakPolarHBondContact O-CB 3.44Å; I401-R405 PolarHBondContact O-N 3.16Å; I403-R405 VanDerWaalsContact C-N 3.33Å; I403-R405 PolarHBondContact O-N 2.79Å; R405-R409 WeakPolarHBondContact O-CB 3.46Å; R405-R409 PolarHBondContact O-N 3.45Å; R405-I421 HydrophobicContact CG-CB 4.27Å; R405-I421 HydrophobicContact CG-CG2 4.01Å; R405-V423 HydrophobicContact CB-CG2 4.08Å; R405-V423 HydrophobicContact CG-CG2 4.34Å
406E92.8Very high90.7Very high81 Ų8165.6 Ų65.638%0.37933%0.328SS..Hα-helixtrans-78.6-38.3-178.7-160.157-143.600112.6P402 I403 V404 L408 R409 V410P402-E406 WeakPolarHBondContact O-CB 3.27Å; P402-E406 PolarHBondContact O-N 3.33Å; I403-E406 PolarHBondContact O-N 2.96Å; I403-E406 VanDerWaalsContact O-N 3.17Å; V404-E406 VanDerWaalsContact C-N 3.29Å; V404-E406 PolarHBondContact O-N 2.8Å; E406-L408 VanDerWaalsContact C-N 3.33Å; E406-L408 PolarHBondContact O-N 2.81Å; E406-R409 WeakPolarHBondContact O-CB 3.34Å; E406-R409 PolarHBondContact O-N 3.02Å; E406-R409 VanDerWaalsContact OE1-CD 3.25Å; E406-R409 WeakPolarHBondContact OE1-CD 3.48Å; E406-R409 IonicContact OE1-NH1 2.62Å; E406-R409 IonicContact OE2-CZ 2.68Å; E406-R409 IonicContact OE2-NH1 3.29Å; E406-R409 PolarHBondContact OE2-NH1 2.97Å; E406-V410 WeakPolarHBondContact O-CG2 3.34Å; E406-V410 PolarHBondContact O-N 2.82Å
407R91.2Very high91Very high117 Ų11762.4 Ų62.444%0.44232%0.324SS..Hα-helixtrans-60.2-43.5171.5-68.4-68.6177.2167.6-6.7111.4I403 V404 V410 Q411 F454 D456I403-R407 HydrophobicContact CG2-CG 4.39Å; I403-R407 WeakPolarHBondContact O-CG 3.41Å; I403-R407 PolarHBondContact O-N 2.58Å; V404-R407 PolarHBondContact O-N 3.44Å; R407-V410 PolarHBondContact O-N 3.33Å; R407-Q411 PolarHBondContact O-N 3.35Å; R407-F454 HydrophobicContact CB-CE2 3.82Å; R407-F454 HydrophobicContact CB-CZ 3.68Å; R407-D456 HydrophobicContact CG-CB 4.29Å; R407-D456 IonicContact CZ-OD2 3.88Å; R407-D456 IonicContact NE-OD2 3.25Å; R407-D456 IonicContact NH1-OD2 3.63Å; R407-D456 PolarHBondContact NH1-OD2 3Å
408L91.6Very high91.3Very high0 Ų061.1 Ų61.10%032%0.316CS..Hα-helixtrans-66.6-35.9174.2-70.8172.1000112.4L385 A388 V404 E406 Q411 C412 V432 F454 L466L385-L408 HydrophobicContact CD1-CD2 4.14Å; A388-L408 HydrophobicContact CB-CD1 4.09Å; V404-L408 HydrophobicContact CG1-CD1 3.8Å; V404-L408 HydrophobicContact CG1-CG 4.36Å; V404-L408 WeakPolarHBondContact O-CB 3.48Å; V404-L408 WeakPolarHBondContact O-CG 3.32Å; V404-L408 PolarHBondContact O-N 3.22Å; E406-L408 VanDerWaalsContact C-N 3.33Å; E406-L408 PolarHBondContact O-N 2.81Å; L408-Q411 PolarHBondContact O-N 2.99Å; L408-C412 VanDerWaalsContact O-CB 3.27Å; L408-C412 WeakPolarHBondContact O-CB 3.34Å; L408-C412 PolarHBondContact O-N 2.8Å; L408-C412 PolarHBondContact O-SG 3.43Å; L408-V432 HydrophobicContact CD1-CB 4.04Å; L408-V432 HydrophobicContact CD1-CG1 3.94Å; L408-V432 HydrophobicContact CD1-CG2 3.67Å; L408-F454 HydrophobicContact CD2-CD2 3.96Å; L408-F454 HydrophobicContact CD2-CE2 3.6Å; L408-F454 HydrophobicContact CD2-CZ 4.01Å; L408-F454 HydrophobicContact CG-CE2 3.92Å; L408-F454 HydrophobicContact CG-CZ 3.94Å; L408-L466 HydrophobicContact CD2-CD1 4.16Å
409R93.4Very high91.6Very high90 Ų9062.4 Ų62.434%0.3431%0.314SS..Hα-helixtrans-58-50.4170.8177.1173.4-80.9135.8-9.8111.2R405 E406 Q411 C412 A413 I418 I421R405-R409 WeakPolarHBondContact O-CB 3.46Å; R405-R409 PolarHBondContact O-N 3.45Å; E406-R409 WeakPolarHBondContact O-CB 3.34Å; E406-R409 PolarHBondContact O-N 3.02Å; E406-R409 VanDerWaalsContact OE1-CD 3.25Å; E406-R409 WeakPolarHBondContact OE1-CD 3.48Å; E406-R409 IonicContact OE1-NH1 2.62Å; E406-R409 IonicContact OE2-CZ 2.68Å; E406-R409 IonicContact OE2-NH1 3.29Å; E406-R409 PolarHBondContact OE2-NH1 2.97Å; R409-Q411 VanDerWaalsContact C-N 3.31Å; R409-Q411 PolarHBondContact O-N 3.2Å; R409-C412 PolarHBondContact O-N 3.5Å; R409-A413 WeakPolarHBondContact O-CB 3.5Å; R409-A413 PolarHBondContact O-N 3.47Å; R409-I418 HydrophobicContact CB-CD1 4.5Å; R409-I418 HydrophobicContact CG-CD1 4.13Å; R409-I418 WeakPolarHBondContact O-CD1 3.32Å; R409-I421 HydrophobicContact CB-CD1 3.65Å; R409-I421 HydrophobicContact CG-CD1 4.35Å
410V92.6Very high91.8Very high87 Ų8764.5 Ų64.553%0.52732%0.316SS..Hα-helixtrans-63.7-33.8-179.91730000112.4E406 R407E406-V410 WeakPolarHBondContact O-CG2 3.34Å; E406-V410 PolarHBondContact O-N 2.82Å; R407-V410 PolarHBondContact O-N 3.33Å
411Q89.5Confident92.1Very high31 Ų3164.4 Ų64.415%0.14532%0.315CS..Hα-helixtrans-72.6-50172.8-70.3-160.8-8.800112.5R407 L408 R409 A413 K414R407-Q411 PolarHBondContact O-N 3.35Å; L408-Q411 PolarHBondContact O-N 2.99Å; R409-Q411 VanDerWaalsContact C-N 3.31Å; R409-Q411 PolarHBondContact O-N 3.2Å; Q411-A413 VanDerWaalsContact C-N 3.28Å; Q411-A413 PolarHBondContact O-N 2.92Å; Q411-K414 WeakPolarHBondContact O-CB 3.37Å; Q411-K414 WeakPolarHBondContact O-CG 3.44Å; Q411-K414 PolarHBondContact O-N 3.22Å
412C91.8Very high92.3Very high0 Ų064.8 Ų64.80%032%0.319CS..Hα-helixtrans-67.9-26.5-177.4-640000112.9L408 R409 K414 C415 G416 I418 V434 F436 L449L408-C412 VanDerWaalsContact O-CB 3.27Å; L408-C412 WeakPolarHBondContact O-CB 3.34Å; L408-C412 PolarHBondContact O-N 2.8Å; L408-C412 PolarHBondContact O-SG 3.43Å; R409-C412 PolarHBondContact O-N 3.5Å; C412-K414 PolarHBondContact O-N 2.9Å; C412-K414 VanDerWaalsContact O-N 3.17Å; C412-C415 WeakPolarHBondContact O-CB 3.46Å; C412-C415 PolarHBondContact O-N 3.2Å; C412-G416 PolarHBondContact O-N 3.43Å; C412-I418 HydrophobicContact CB-CD1 3.49Å; C412-I418 VanDerWaalsContact CB-CD1 3.49Å; C412-I418 HydrophobicContact CB-CG1 4.11Å; C412-V434 HydrophobicContact CB-CG1 4.27Å; C412-F436 HydrophobicContact CB-CE1 4.41Å; C412-F436 HydrophobicContact CB-CZ 4.09Å; C412-L449 VanDerWaalsContact SG-CD1 3.57Å
413A92.8Very high92.3Very high60 Ų6062.8 Ų62.850%0.49631%0.305SS..THydrogen-bonded Turntrans-64.1-17.1176.900000113.2R409 Q411 C415 I418R409-A413 WeakPolarHBondContact O-CB 3.5Å; R409-A413 PolarHBondContact O-N 3.47Å; Q411-A413 VanDerWaalsContact C-N 3.28Å; Q411-A413 PolarHBondContact O-N 2.92Å; A413-C415 PolarHBondContact O-N 3.27Å; A413-I418 HydrophobicContact CB-CD1 4.41Å
414K90.7Very high92.4Very high152 Ų15261 Ų6166%0.66130%0.296SS*.THydrogen-bonded Turntrans-72.6-16.8171.4-57.5178.6-177-178.80112.9Q411 C412 F448Q411-K414 WeakPolarHBondContact O-CB 3.37Å; Q411-K414 WeakPolarHBondContact O-CG 3.44Å; Q411-K414 PolarHBondContact O-N 3.22Å; C412-K414 PolarHBondContact O-N 2.9Å; C412-K414 VanDerWaalsContact O-N 3.17Å; K414-F448 HydrophobicContact CD-CZ 4.38Å
415C89.4Confident92.4Very high20 Ų2064.9 Ų64.914%0.13532%0.316CS..THydrogen-bonded Turntrans-103.9-27.5-177.3-50.90000113.1C412 A413 F436 T444 F448C412-C415 WeakPolarHBondContact O-CB 3.46Å; C412-C415 PolarHBondContact O-N 3.2Å; A413-C415 PolarHBondContact O-N 3.27Å; C415-F436 HydrophobicContact CB-CE1 4.18Å; C415-F436 HydrophobicContact CB-CZ 4.4Å; C415-T444 PolarHBondContact O-OG1 2.82Å; C415-F448 WeakPolarHBondContact SG-CD1 3.43Å
416G91.3Very high92.1Very high17 Ų1761.7 Ų61.718%0.17531%0.313CS..SBendtrans174.4-177-175.400000115.5C412C412-G416 PolarHBondContact O-N 3.43Å
417I93.5Very high91.8Very high119 Ų11959.4 Ų59.461%0.6130%0.302SS*.  trans-89.5109.2-177.1-60.9173.1000109.1K419 F436 S437 E441I417-K419 PolarHBondContact O-N 2.81Å; I417-F436 CarbonylContact O-C 3.54Å; I417-S437 WeakPolarHBondContact O-CB 3.12Å; I417-S437 PolarHBondContact O-N 3.46Å; I417-E441 PolarHBondContact N-OE2 3.23Å
418I94.1Very high91.5Very high34 Ų3458.2 Ų58.217%0.17431%0.309CS..EExtended strand (participates in β ladder)trans-84.1120.1-174.1-49.6160000110.7R409 C412 A413 I421 V434 T435 F436R409-I418 HydrophobicContact CB-CD1 4.5Å; R409-I418 HydrophobicContact CG-CD1 4.13Å; R409-I418 WeakPolarHBondContact O-CD1 3.32Å; C412-I418 HydrophobicContact CB-CD1 3.49Å; C412-I418 VanDerWaalsContact CB-CD1 3.49Å; C412-I418 HydrophobicContact CB-CG1 4.11Å; A413-I418 HydrophobicContact CB-CD1 4.41Å; I418-I421 HydrophobicContact CD1-CD1 4.31Å; I418-I421 HydrophobicContact CG2-CD1 4.13Å; I418-I421 HydrophobicContact CG2-CG1 3.6Å; I418-V434 HydrophobicContact CG1-CG1 4.4Å; I418-V434 HydrophobicContact CG2-CG1 3.86Å; I418-T435 CarbonylContact C-O 3.56Å; I418-F436 HydrophobicContact CG1-CD1 4.47Å; I418-F436 HydrophobicContact CG1-CE1 4.2Å
419K93.7Very high91.3Very high128 Ų12863 Ų6356%0.55733%0.332SS*.EExtended strand (participates in β ladder)trans-84.9-35175.6-72.7178.9175.6154.60113.5I417 T435 S437I417-K419 PolarHBondContact O-N 2.81Å; K419-T435 HydrophobicContact CB-CG2 4.44Å; K419-T435 PolarHBondContact N-O 2.76Å; K419-S437 WeakPolarHBondContact CE-OG 3.37Å; K419-S437 VanDerWaalsContact NZ-CA 3.33Å; K419-S437 PolarHBondContact NZ-O 2.95Å; K419-S437 PolarHBondContact NZ-OG 2.62Å
420K94.2Very high91Very high129 Ų12958.8 Ų58.856%0.56132%0.316SS*.EExtended strand (participates in β ladder)trans-152.9145.7178.8-160.3-176.6-173.5-168.80111.1V422 T435K420-V422 HydrophobicContact CD-CG2 3.91Å; K420-V422 HydrophobicContact CG-CG2 4.19Å; K420-T435 PolarHBondContact N-O 3.32Å; K420-T435 PolarHBondContact O-N 3.01Å
421I94.3Very high91.1Very high16 Ų1654.6 Ų54.68%0.08229%0.291CS..EExtended strand (participates in β ladder)trans-126.3133165.3-54.9178000106.9R405 R409 I418 V432 S433 V434R405-I421 HydrophobicContact CG-CB 4.27Å; R405-I421 HydrophobicContact CG-CG2 4.01Å; R409-I421 HydrophobicContact CB-CD1 3.65Å; R409-I421 HydrophobicContact CG-CD1 4.35Å; I418-I421 HydrophobicContact CD1-CD1 4.31Å; I418-I421 HydrophobicContact CG2-CD1 4.13Å; I418-I421 HydrophobicContact CG2-CG1 3.6Å; I421-V432 HydrophobicContact CG2-CG1 3.51Å; I421-S433 WeakPolarHBondContact CA-O 3.45Å; I421-V434 HydrophobicContact CG2-CG2 4.49Å
422V93.9Very high91.3Very high40 Ų4053.1 Ų53.124%0.24228%0.284CS..EExtended strand (participates in β ladder)trans-126.6121.8171.3-176.80000108.2K420 H424 V432 S433K420-V422 HydrophobicContact CD-CG2 3.91Å; K420-V422 HydrophobicContact CG-CG2 4.19Å; V422-H424 PolarHBondContact O-NE2 3.37Å; V422-V432 CarbonylContact O-C 3.59Å; V422-V432 WeakPolarHBondContact O-CA 3.36Å; V422-V432 WeakPolarHBondContact O-CG1 3.36Å; V422-S433 PolarHBondContact N-O 3.43Å; V422-S433 PolarHBondContact O-N 3.5Å
423V93.4Very high91.4Very high22 Ų2253.9 Ų53.913%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-91.8128.1172.5179.60000106.9F389 F394 I401 R405 D425 V432F389-V423 HydrophobicContact CD1-CG1 4.18Å; F389-V423 HydrophobicContact CE1-CG1 3.61Å; F389-V423 HydrophobicContact CZ-CG1 4Å; F394-V423 HydrophobicContact CE2-CG1 3.64Å; F394-V423 HydrophobicContact CZ-CG1 4.16Å; I401-V423 HydrophobicContact CG2-CB 4.39Å; I401-V423 HydrophobicContact CG2-CG1 4.31Å; R405-V423 HydrophobicContact CB-CG2 4.08Å; R405-V423 HydrophobicContact CG-CG2 4.34Å; V423-D425 PolarHBondContact O-N 2.81Å; V423-V432 HydrophobicContact CB-CG2 4.36Å; V423-V432 HydrophobicContact CG1-CG2 4.2Å; V423-V432 HydrophobicContact CG2-CG1 4.09Å; V423-V432 HydrophobicContact CG2-CG2 4.03Å
424H92.5Very high91.5Very high34 Ų3451 Ų5116%0.15727%0.265CS..  trans-99.770.3179.2-58-87.9000108.9F389 V422 A426 H427 V431 S433 Y477 S478F389-H424 WeakPolarHBondContact CZ-O 3.49Å; V422-H424 PolarHBondContact O-NE2 3.37Å; H424-A426 VanDerWaalsContact C-N 3.27Å; H424-A426 PolarHBondContact O-N 3.15Å; H424-A426 VanDerWaalsContact O-N 3.14Å; H424-H427 HydrophobicContact CB-CB 4.28Å; H424-H427 VanDerWaalsContact O-CB 3.28Å; H424-H427 WeakPolarHBondContact O-CB 3.24Å; H424-H427 PolarHBondContact O-N 3.1Å; H424-V431 PolarHBondContact CD2-O 3.11Å; H424-V431 PolarHBondContact N-O 2.8Å; H424-S433 WeakPolarHBondContact NE2-CB 3.33Å; H424-S433 PolarHBondContact NE2-N 3.04Å; H424-S433 PolarHBondContact NE2-OG 2.66Å; H424-Y477 WeakPolarHBondContact CB-O 3.35Å; H424-S478 PolarHBondContact ND1-N 2.73Å
425D90.3Very high91.7Very high80 Ų8045.5 Ų45.543%0.42824%0.244SC..THydrogen-bonded Turntrans-45.5-40.8-171.151.64.7000115.7F394 I401 V423 H427F394-D425 HydrophobicContact CD2-CB 3.84Å; F394-D425 HydrophobicContact CE2-CB 4.38Å; I401-D425 HydrophobicContact CD1-CB 3.96Å; V423-D425 PolarHBondContact O-N 2.81Å; D425-H427 VanDerWaalsContact C-N 3.25Å; D425-H427 PolarHBondContact O-N 3.1Å
426A86.4Confident92Very high39 Ų3944.6 Ų44.632%0.32224%0.238SC..THydrogen-bonded Turntrans-78.610.3178.600000115.6H424 V479H424-A426 VanDerWaalsContact C-N 3.27Å; H424-A426 PolarHBondContact O-N 3.15Å; H424-A426 VanDerWaalsContact O-N 3.14Å; A426-V479 HydrophobicContact CB-CB 4.28Å
427H87.3Confident92.1Very high32 Ų3245.1 Ų45.115%0.14824%0.239CC..  trans-103.4117.8-177.8-162.1-2.5000111.9H424 D425 E429 G430 V431 Y477 V479H424-H427 HydrophobicContact CB-CB 4.28Å; H424-H427 VanDerWaalsContact O-CB 3.28Å; H424-H427 WeakPolarHBondContact O-CB 3.24Å; H424-H427 PolarHBondContact O-N 3.1Å; D425-H427 VanDerWaalsContact C-N 3.25Å; D425-H427 PolarHBondContact O-N 3.1Å; H427-E429 PolarHBondContact O-N 2.8Å; H427-E429 VanDerWaalsContact O-N 3.11Å; H427-G430 PolarHBondContact O-N 3.39Å; H427-V431 VanDerWaalsContact CD2-CG2 3.4Å; H427-V431 WeakPolarHBondContact CD2-CG2 3.38Å; H427-Y477 AromaticContact CD2-CD1 3.98Å; H427-Y477 AromaticContact NE2-CD1 3.74Å; H427-V479 HydrophobicContact CB-CG2 3.89Å
428P85.2Confident92Very high93 Ų9341.9 Ų41.960%0.60423%0.225SC*.THydrogen-bonded Turntrans-62.9-22.1-174.219.3-33.3000115.3E391 G430E391-P428 WeakPolarHBondContact OE2-CA 3.46Å; E391-P428 WeakPolarHBondContact OE2-CB 3.46Å; E391-P428 WeakPolarHBondContact OE2-CD 3.37Å; P428-G430 PolarHBondContact O-N 2.83Å
429E86.6Confident92Very high101 Ų10141.1 Ų41.147%0.47222%0.222SC..THydrogen-bonded Turntrans-74.5-2172.8-74.1-171.6-165.700113.5N387 H427 V431N387-E429 VanDerWaalsContact CA-O 3.27Å; N387-E429 WeakPolarHBondContact CA-O 3.41Å; N387-E429 PolarHBondContact N-O 3.02Å; H427-E429 PolarHBondContact O-N 2.8Å; H427-E429 VanDerWaalsContact O-N 3.11Å; E429-V431 HydrophobicContact CB-CG2 3.71Å
430G88.7Confident91.9Very high0 Ų041.5 Ų41.50%023%0.226CC..  trans68.747.6175.700000113.1N387 A388 F389 H427 P428N387-G430 PolarHBondContact N-O 3.05Å; A388-G430 WeakPolarHBondContact CB-O 3.49Å; A388-G430 PolarHBondContact N-O 2.9Å; F389-G430 WeakPolarHBondContact CE1-O 3.17Å; F389-G430 WeakPolarHBondContact O-CA 3.32Å; H427-G430 PolarHBondContact O-N 3.39Å; P428-G430 PolarHBondContact O-N 2.83Å
431V93.4Very high91.9Very high0 Ų036.7 Ų36.70%021%0.206CC..  trans-90.6133.7-165.1-175.40000113.6I384 L385 K386 F389 H424 H427 E429 Y477I384-V431 HydrophobicContact CG2-CG1 3.54Å; L385-V431 CarbonylContact O-C 3.56Å; L385-V431 WeakPolarHBondContact O-CA 3.26Å; K386-V431 HydrophobicContact CG-CG2 4.31Å; F389-V431 WeakPolarHBondContact CE1-O 3.15Å; H424-V431 PolarHBondContact CD2-O 3.11Å; H424-V431 PolarHBondContact N-O 2.8Å; H427-V431 VanDerWaalsContact CD2-CG2 3.4Å; H427-V431 WeakPolarHBondContact CD2-CG2 3.38Å; E429-V431 HydrophobicContact CB-CG2 3.71Å; V431-Y477 HydrophobicContact CG1-CD1 3.83Å; V431-Y477 HydrophobicContact CG1-CE1 4.4Å; V431-Y477 HydrophobicContact CG1-CG 3.91Å; V431-Y477 HydrophobicContact CG2-CD1 4.49Å
432V93.7Very high91.9Very high0 Ų036 Ų360%020%0.202CC..EExtended strand (participates in β ladder)trans-130.4127.2175.3-176.10000109.9L385 A388 F389 L408 I421 V422 V423 V434L385-V432 HydrophobicContact CB-CB 4.5Å; L385-V432 PolarHBondContact N-O 3.37Å; L385-V432 PolarHBondContact O-N 2.65Å; A388-V432 HydrophobicContact CB-CG2 4.08Å; F389-V432 HydrophobicContact CD1-CG2 4.04Å; F389-V432 HydrophobicContact CE1-CG2 3.75Å; L408-V432 HydrophobicContact CD1-CB 4.04Å; L408-V432 HydrophobicContact CD1-CG1 3.94Å; L408-V432 HydrophobicContact CD1-CG2 3.67Å; I421-V432 HydrophobicContact CG2-CG1 3.51Å; V422-V432 CarbonylContact O-C 3.59Å; V422-V432 WeakPolarHBondContact O-CA 3.36Å; V422-V432 WeakPolarHBondContact O-CG1 3.36Å; V423-V432 HydrophobicContact CB-CG2 4.36Å; V423-V432 HydrophobicContact CG1-CG2 4.2Å; V423-V432 HydrophobicContact CG2-CG1 4.09Å; V423-V432 HydrophobicContact CG2-CG2 4.03Å; V432-V434 HydrophobicContact CG1-CG2 4.34Å
433S94.5Very high91.8Very high15 Ų1535.9 Ų35.911%0.10520%0.2CC..EExtended strand (participates in β ladder)trans-98.5125.5173.559.90000111.9I421 V422 H424I421-S433 WeakPolarHBondContact CA-O 3.45Å; V422-S433 PolarHBondContact N-O 3.43Å; V422-S433 PolarHBondContact O-N 3.5Å; H424-S433 WeakPolarHBondContact NE2-CB 3.33Å; H424-S433 PolarHBondContact NE2-N 3.04Å; H424-S433 PolarHBondContact NE2-OG 2.66Å
434V94.9Very high91.9Very high0 Ų038 Ų380%021%0.213CC..EExtended strand (participates in β ladder)trans-114.6122.8-176.6-177.60000108.8V382 V383 L385 C412 I418 I421 V432 F436V382-V434 WeakPolarHBondContact CA-O 3.35Å; V383-V434 PolarHBondContact N-O 3.34Å; V383-V434 PolarHBondContact O-N 3.26Å; L385-V434 HydrophobicContact CD1-CG2 3.86Å; L385-V434 HydrophobicContact CG-CG2 4.32Å; C412-V434 HydrophobicContact CB-CG1 4.27Å; I418-V434 HydrophobicContact CG1-CG1 4.4Å; I418-V434 HydrophobicContact CG2-CG1 3.86Å; I421-V434 HydrophobicContact CG2-CG2 4.49Å; V432-V434 HydrophobicContact CG1-CG2 4.34Å; V434-F436 HydrophobicContact CB-CE2 4.31Å; V434-F436 HydrophobicContact CG1-CD2 4.2Å; V434-F436 HydrophobicContact CG1-CE2 3.68Å; V434-F436 HydrophobicContact CG1-CZ 3.88Å
435T95Very high91.9Very high37 Ų3736.4 Ų36.423%0.22721%0.206CC..EExtended strand (participates in β ladder)trans-105.4113.5178.5-52.80000110R381 V382 I418 K419 K420R381-T435 WeakPolarHBondContact O-CA 3.37Å; V382-T435 HydrophobicContact CG2-CG2 4.22Å; I418-T435 CarbonylContact C-O 3.56Å; K419-T435 HydrophobicContact CB-CG2 4.44Å; K419-T435 PolarHBondContact N-O 2.76Å; K420-T435 PolarHBondContact N-O 3.32Å; K420-T435 PolarHBondContact O-N 3.01Å
436F95.5Very high92Very high0 Ų034.3 Ų34.30%019%0.194CC..EExtended strand (participates in β ladder)trans-84171.3177-71.8-83.9000112.8R381 V383 C412 C415 I417 I418 V434 E441 A442R381-F436 PolarHBondContact O-N 3.46Å; V383-F436 HydrophobicContact CB-CE2 4.1Å; V383-F436 HydrophobicContact CG2-CD2 3.86Å; V383-F436 HydrophobicContact CG2-CE2 3.65Å; C412-F436 HydrophobicContact CB-CE1 4.41Å; C412-F436 HydrophobicContact CB-CZ 4.09Å; C415-F436 HydrophobicContact CB-CE1 4.18Å; C415-F436 HydrophobicContact CB-CZ 4.4Å; I417-F436 CarbonylContact O-C 3.54Å; I418-F436 HydrophobicContact CG1-CD1 4.47Å; I418-F436 HydrophobicContact CG1-CE1 4.2Å; V434-F436 HydrophobicContact CB-CE2 4.31Å; V434-F436 HydrophobicContact CG1-CD2 4.2Å; V434-F436 HydrophobicContact CG1-CE2 3.68Å; V434-F436 HydrophobicContact CG1-CZ 3.88Å; F436-E441 HydrophobicContact CB-CB 3.84Å; F436-E441 HydrophobicContact CD1-CB 3.82Å; F436-E441 HydrophobicContact CG-CB 4.02Å; F436-A442 HydrophobicContact CB-CB 4.35Å; F436-A442 HydrophobicContact CD2-CB 3.97Å; F436-A442 HydrophobicContact CG-CB 4.44Å
437S93.3Very high92.3Very high28 Ų2840.4 Ų40.420%0.19621%0.213CC..SBendtrans-77.3-50.6-177.2-173.40000111.5R381 I417 K419 E441R381-S437 PolarHBondContact NH1-O 3.26Å; I417-S437 WeakPolarHBondContact O-CB 3.12Å; I417-S437 PolarHBondContact O-N 3.46Å; K419-S437 WeakPolarHBondContact CE-OG 3.37Å; K419-S437 VanDerWaalsContact NZ-CA 3.33Å; K419-S437 PolarHBondContact NZ-O 2.95Å; K419-S437 PolarHBondContact NZ-OG 2.62Å; S437-E441 WeakPolarHBondContact CB-OE2 3.39Å; S437-E441 PolarHBondContact N-OE2 3.03Å
438T91.8Very high92.5Very high51 Ų5144.2 Ų44.231%0.31323%0.23SC..SBendtrans-105.4163.2174.166.60000111.2E440 E441T438-E440 VanDerWaalsContact C-N 3.28Å; T438-E441 VanDerWaalsContact CB-OE1 3.28Å; T438-E441 WeakPolarHBondContact CB-OE1 3.48Å; T438-E441 WeakPolarHBondContact CG2-OE1 3.47Å; T438-E441 PolarHBondContact N-OE1 3.13Å; T438-E441 VanDerWaalsContact N-OE1 3.13Å; T438-E441 WeakPolarHBondContact OG1-CG 3.2Å; T438-E441 PolarHBondContact OG1-N 3.3Å; T438-E441 PolarHBondContact OG1-OE1 2.89Å
439P92.3Very high92.8Very high18 Ų1839.8 Ų39.812%0.11720%0.201CC..Hα-helixtrans-73.8-17.7171.232.5-39.5000113.3R376 E380 R381 A442 D443R376-P439 HydrophobicContact CB-CB 3.88Å; R376-P439 HydrophobicContact CB-CG 3.89Å; R376-P439 HydrophobicContact CG-CG 4.45Å; E380-P439 HydrophobicContact CB-CB 4.3Å; R381-P439 HydrophobicContact CG-CB 4.26Å; P439-A442 PolarHBondContact O-N 2.92Å; P439-D443 PolarHBondContact O-N 3.34Å
440E92.3Very high93Very high136 Ų13637.5 Ų37.564%0.63620%0.196SC*.Hα-helixtrans-79.2-40.2-178.6-70.5166.5-158.200111T438 A442 D443 T444T438-E440 VanDerWaalsContact C-N 3.28Å; E440-A442 PolarHBondContact O-N 3.5Å; E440-D443 PolarHBondContact O-N 3Å; E440-D443 VanDerWaalsContact O-N 3.15Å; E440-T444 PolarHBondContact O-N 3.45Å; E440-T444 PolarHBondContact O-OG1 3.06Å
441E93.6Very high92.8Very high29 Ų2945.3 Ų45.314%0.13623%0.23CC..Hα-helixtrans-56.7-32166.9-70.9159.7-124.200113.2I417 F436 S437 T438 T444 G445I417-E441 PolarHBondContact N-OE2 3.23Å; F436-E441 HydrophobicContact CB-CB 3.84Å; F436-E441 HydrophobicContact CD1-CB 3.82Å; F436-E441 HydrophobicContact CG-CB 4.02Å; S437-E441 WeakPolarHBondContact CB-OE2 3.39Å; S437-E441 PolarHBondContact N-OE2 3.03Å; T438-E441 VanDerWaalsContact CB-OE1 3.28Å; T438-E441 WeakPolarHBondContact CB-OE1 3.48Å; T438-E441 WeakPolarHBondContact CG2-OE1 3.47Å; T438-E441 PolarHBondContact N-OE1 3.13Å; T438-E441 VanDerWaalsContact N-OE1 3.13Å; T438-E441 WeakPolarHBondContact OG1-CG 3.2Å; T438-E441 PolarHBondContact OG1-N 3.3Å; T438-E441 PolarHBondContact OG1-OE1 2.89Å; E441-T444 WeakPolarHBondContact CA-OG1 3.44Å; E441-T444 PolarHBondContact O-OG1 3.1Å; E441-G445 PolarHBondContact O-N 2.82Å
442A94.3Very high92.5Very high0 Ų046.2 Ų46.20%024%0.238CC..Hα-helixtrans-74-41175.300000111.5E380 V383 F436 P439 E440 G445 I446E380-A442 VanDerWaalsContact O-CB 3.29Å; E380-A442 WeakPolarHBondContact O-CB 3.48Å; V383-A442 HydrophobicContact CG2-CB 3.78Å; F436-A442 HydrophobicContact CB-CB 4.35Å; F436-A442 HydrophobicContact CD2-CB 3.97Å; F436-A442 HydrophobicContact CG-CB 4.44Å; P439-A442 PolarHBondContact O-N 2.92Å; E440-A442 PolarHBondContact O-N 3.5Å; A442-G445 PolarHBondContact O-N 2.78Å; A442-I446 WeakPolarHBondContact O-CD1 3.24Å; A442-I446 VanDerWaalsContact O-CG1 3.31Å; A442-I446 WeakPolarHBondContact O-CG1 3.26Å; A442-I446 PolarHBondContact O-N 2.69Å
443D93.6Very high92.1Very high39 Ų3951 Ų5121%0.20926%0.263CS..Hα-helixtrans-67.9-32.8175.4-77.410.3000112.6R376 P439 E440 K447 R470R376-D443 IonicContact CZ-OD2 2.7Å; R376-D443 IonicContact NH1-OD1 2.61Å; R376-D443 IonicContact NH1-OD2 2.66Å; R376-D443 PolarHBondContact NH1-OD2 3.06Å; R376-D443 IonicContact NH2-OD2 3.81Å; P439-D443 PolarHBondContact O-N 3.34Å; E440-D443 PolarHBondContact O-N 3Å; E440-D443 VanDerWaalsContact O-N 3.15Å; D443-K447 WeakPolarHBondContact O-CD 3.47Å; D443-K447 VanDerWaalsContact O-CG 3.31Å; D443-K447 WeakPolarHBondContact O-CG 3.47Å; D443-K447 PolarHBondContact O-N 2.8Å; D443-R470 IonicContact OD1-CZ 2.97Å; D443-R470 IonicContact OD1-NE 2.61Å; D443-R470 IonicContact OD1-NH2 2.65Å; D443-R470 PolarHBondContact OD1-NH2 2.81Å; D443-R470 IonicContact OD2-NH2 2.97Å
444T93.7Very high91.6Very high67 Ų6750.3 Ų50.341%0.41126%0.258SS..Hα-helixtrans-73.4-40.8169.558.30000111.4C415 E440 E441 I446 K447 F448C415-T444 PolarHBondContact O-OG1 2.82Å; E440-T444 PolarHBondContact O-N 3.45Å; E440-T444 PolarHBondContact O-OG1 3.06Å; E441-T444 WeakPolarHBondContact CA-OG1 3.44Å; E441-T444 PolarHBondContact O-OG1 3.1Å; T444-I446 PolarHBondContact O-N 3.3Å; T444-K447 PolarHBondContact O-N 2.91Å; T444-F448 WeakPolarHBondContact O-CB 3.44Å; T444-F448 PolarHBondContact O-N 3.09Å
445G92.5Very high90.6Very high0 Ų054.7 Ų54.70%029%0.285CS..Hα-helixtrans-55.6-47.5174.600000112.8E441 A442 K447 F448 L449E441-G445 PolarHBondContact O-N 2.82Å; A442-G445 PolarHBondContact O-N 2.78Å; G445-K447 VanDerWaalsContact C-N 3.35Å; G445-K447 PolarHBondContact O-N 2.92Å; G445-F448 PolarHBondContact O-N 2.92Å; G445-L449 WeakPolarHBondContact O-CB 3.44Å; G445-L449 VanDerWaalsContact O-CG 3.25Å; G445-L449 WeakPolarHBondContact O-CG 3.41Å; G445-L449 PolarHBondContact O-N 3.2Å
446I94.3Very high89.6Confident35 Ų3556.6 Ų56.618%0.17929%0.293CS..Hα-helixtrans-58.3-46175.5-70.9159.2000111.1V383 A442 T444 F448 S450 R470V383-I446 HydrophobicContact CB-CG1 4.4Å; V383-I446 HydrophobicContact CG1-CG1 3.78Å; V383-I446 HydrophobicContact CG2-CD1 4.13Å; V383-I446 HydrophobicContact CG2-CG1 3.79Å; A442-I446 WeakPolarHBondContact O-CD1 3.24Å; A442-I446 VanDerWaalsContact O-CG1 3.31Å; A442-I446 WeakPolarHBondContact O-CG1 3.26Å; A442-I446 PolarHBondContact O-N 2.69Å; T444-I446 PolarHBondContact O-N 3.3Å; I446-F448 PolarHBondContact O-N 2.87Å; I446-S450 WeakPolarHBondContact O-CB 3.48Å; I446-S450 PolarHBondContact O-N 2.92Å; I446-R470 HydrophobicContact CD1-CB 3.74Å; I446-R470 HydrophobicContact CD1-CG 4.25Å
447K92.7Very high88.9Confident167 Ų16757.3 Ų57.373%0.72630%0.296SS*.Hα-helixtrans-65.7-34.8-179.9-68.8168.2-172.4173.60113.3D443 T444 G445D443-K447 WeakPolarHBondContact O-CD 3.47Å; D443-K447 VanDerWaalsContact O-CG 3.31Å; D443-K447 WeakPolarHBondContact O-CG 3.47Å; D443-K447 PolarHBondContact O-N 2.8Å; T444-K447 PolarHBondContact O-N 2.91Å; G445-K447 VanDerWaalsContact C-N 3.35Å; G445-K447 PolarHBondContact O-N 2.92Å
448F91.5Very high88Confident112 Ų11258.7 Ų58.749%0.49131%0.305SS..Hα-helixtrans-83.4-34.5-178.9-176.1-95.8000113K414 C415 T444 G445 I446K414-F448 HydrophobicContact CD-CZ 4.38Å; C415-F448 WeakPolarHBondContact SG-CD1 3.43Å; T444-F448 WeakPolarHBondContact O-CB 3.44Å; T444-F448 PolarHBondContact O-N 3.09Å; G445-F448 PolarHBondContact O-N 2.92Å; I446-F448 PolarHBondContact O-N 2.87Å
449L91.1Very high87.3Confident0 Ų057 Ų570%030%0.298CS..Hα-helixtrans-92.9-20.8-174.2-61.3167.7000113L385 C412 G445 K451 A452 L466 A468L385-L449 HydrophobicContact CD1-CD1 4.22Å; L385-L449 HydrophobicContact CD2-CB 3.91Å; L385-L449 HydrophobicContact CD2-CD1 3.87Å; L385-L449 HydrophobicContact CD2-CG 4.48Å; C412-L449 VanDerWaalsContact SG-CD1 3.57Å; G445-L449 WeakPolarHBondContact O-CB 3.44Å; G445-L449 VanDerWaalsContact O-CG 3.25Å; G445-L449 WeakPolarHBondContact O-CG 3.41Å; G445-L449 PolarHBondContact O-N 3.2Å; L449-K451 PolarHBondContact O-N 2.87Å; L449-A452 WeakPolarHBondContact O-CB 3.29Å; L449-A452 PolarHBondContact O-N 3.47Å; L449-A452 VanDerWaalsContact O-N 3.09Å; L449-L466 HydrophobicContact CD2-CD1 4.47Å; L449-A468 HydrophobicContact CB-CB 3.87Å
450S89.6Confident86.4Confident54 Ų5460.3 Ų60.338%0.37832%0.321SS..THydrogen-bonded Turntrans-63.8117.2173.8-171.70000110.5I446 A452I446-S450 WeakPolarHBondContact O-CB 3.48Å; I446-S450 PolarHBondContact O-N 2.92Å; S450-A452 PolarHBondContact O-N 3.45Å
451K86.1Confident85.4Confident163 Ų16355.4 Ų55.471%0.70931%0.306SS*.THydrogen-bonded Turntrans65.716.3-174.3-52.5175.1-176.6177.50114.5L449 L466L449-K451 PolarHBondContact O-N 2.87Å; K451-L466 VanDerWaalsContact CA-O 3.24Å; K451-L466 WeakPolarHBondContact CA-O 3.24Å; K451-L466 PolarHBondContact N-O 3.3Å
452A86.7Confident84.7Confident20 Ų2055.5 Ų55.517%0.16532%0.315CS..  trans-66.6140.817400000111.5L449 S450 F454 Q465 L466L449-A452 WeakPolarHBondContact O-CB 3.29Å; L449-A452 PolarHBondContact O-N 3.47Å; L449-A452 VanDerWaalsContact O-N 3.09Å; S450-A452 PolarHBondContact O-N 3.45Å; A452-F454 PolarHBondContact O-N 2.69Å; A452-Q465 WeakPolarHBondContact O-CA 3.33Å; A452-L466 PolarHBondContact O-N 3.25Å
453L84.4Confident84.2Confident101 Ų10159.9 Ų59.953%0.52934%0.344SS..EExtended strand (participates in β ladder)trans-82.3109.3174.4-75.4166000110.5V455 Q465L453-V455 VanDerWaalsContact C-N 3.3Å; L453-V455 HydrophobicContact CB-CG2 4.02Å; L453-V455 PolarHBondContact O-N 3.2Å; L453-V455 VanDerWaalsContact O-N 3.09Å; L453-Q465 HydrophobicContact CD2-CG 3.6Å; L453-Q465 HydrophobicContact CG-CG 4.38Å
454F84.8Confident83.8Confident0 Ų060.1 Ų60.10%034%0.342CS..EExtended strand (participates in β ladder)trans-79.981167.1-165-121.8000109.1V404 R407 L408 A452 Y457 P463 R464 L466V404-F454 HydrophobicContact CG1-CE1 4.44Å; V404-F454 HydrophobicContact CG1-CZ 4.45Å; R407-F454 HydrophobicContact CB-CE2 3.82Å; R407-F454 HydrophobicContact CB-CZ 3.68Å; L408-F454 HydrophobicContact CD2-CD2 3.96Å; L408-F454 HydrophobicContact CD2-CE2 3.6Å; L408-F454 HydrophobicContact CD2-CZ 4.01Å; L408-F454 HydrophobicContact CG-CE2 3.92Å; L408-F454 HydrophobicContact CG-CZ 3.94Å; A452-F454 PolarHBondContact O-N 2.69Å; F454-Y457 HydrophobicContact CD1-CD2 4.32Å; F454-Y457 AromaticContact CE1-CD2 3.95Å; F454-Y457 HydrophobicContact CE1-CD2 3.95Å; F454-P463 WeakPolarHBondContact O-CA 3.48Å; F454-R464 WeakPolarHBondContact CB-O 3.33Å; F454-R464 PolarHBondContact N-O 3.28Å; F454-R464 PolarHBondContact O-N 3.44Å; F454-R464 VanDerWaalsContact O-N 3.08Å; F454-L466 HydrophobicContact CB-CD1 4.25Å; F454-L466 HydrophobicContact CB-CD2 3.99Å; F454-L466 HydrophobicContact CB-CG 3.96Å; F454-L466 HydrophobicContact CG-CD2 4.38Å
455V74.3Confident83.7Confident92 Ų9262.6 Ų62.656%0.55835%0.348SS*.THydrogen-bonded Turntrans-70.9-36.8-177.1-177.40000111.9L453 Y457L453-V455 VanDerWaalsContact C-N 3.3Å; L453-V455 HydrophobicContact CB-CG2 4.02Å; L453-V455 PolarHBondContact O-N 3.2Å; L453-V455 VanDerWaalsContact O-N 3.09Å; V455-Y457 PolarHBondContact O-N 2.93Å
456D74.2Confident83.7Confident77 Ų7762.7 Ų62.741%0.41235%0.349SS..THydrogen-bonded Turntrans-8031-174.2-61.94.9000113.9R407 P458R407-D456 HydrophobicContact CG-CB 4.29Å; R407-D456 IonicContact CZ-OD2 3.88Å; R407-D456 IonicContact NE-OD2 3.25Å; R407-D456 IonicContact NH1-OD2 3.63Å; R407-D456 PolarHBondContact NH1-OD2 3Å; D456-P458 WeakPolarHBondContact O-CD 3.29Å
457Y79.9Confident83.7Confident15 Ų1565.7 Ų65.76%0.05936%0.362CS..  trans-75121.4177.6-173.7-125000110.6F389 I390 D393 V404 F454 V455 G459 G462 R464F389-Y457 HydrophobicContact CB-CE2 3.71Å; I390-Y457 HydrophobicContact CG1-CE1 4.44Å; I390-Y457 PolarHBondContact N-OH 2.87Å; D393-Y457 WeakPolarHBondContact CB-OH 3.46Å; D393-Y457 WeakPolarHBondContact OD2-CE1 3.24Å; D393-Y457 PolarHBondContact OD2-OH 2.86Å; V404-Y457 HydrophobicContact CG2-CD2 4.06Å; V404-Y457 HydrophobicContact CG2-CE2 3.85Å; F454-Y457 HydrophobicContact CD1-CD2 4.32Å; F454-Y457 AromaticContact CE1-CD2 3.95Å; F454-Y457 HydrophobicContact CE1-CD2 3.95Å; V455-Y457 PolarHBondContact O-N 2.93Å; Y457-G459 VanDerWaalsContact C-N 3.34Å; Y457-G459 VanDerWaalsContact CE1-CA 3.48Å; Y457-G462 WeakPolarHBondContact CB-O 3.43Å; Y457-R464 HydrophobicContact CD1-CG 4.2Å; Y457-R464 HydrophobicContact CG-CG 4.4Å
458P75.3Confident83.8Confident57 Ų5758.2 Ų58.237%0.3733%0.331SS..  trans-83.3-6.3-177.735.1-38.7000114.2L400 I403 V404 D456L400-P458 HydrophobicContact CB-CG 4.49Å; L400-P458 HydrophobicContact CD2-CB 4.01Å; L400-P458 HydrophobicContact CD2-CG 3.92Å; I403-P458 HydrophobicContact CG2-CB 4.49Å; I403-P458 HydrophobicContact CG2-CG 3.96Å; V404-P458 HydrophobicContact CG2-CG 4.27Å; D456-P458 WeakPolarHBondContact O-CD 3.29Å
459G75.8Confident83.8Confident16 Ų1656.1 Ų56.117%0.16532%0.323CS..SBendtrans-84.6-179.1-178.900000114D393 Y457 G461D393-G459 WeakPolarHBondContact OD2-CA 3.44Å; Y457-G459 VanDerWaalsContact C-N 3.34Å; Y457-G459 VanDerWaalsContact CE1-CA 3.48Å; G459-G461 PolarHBondContact O-N 3.17Å; G459-G461 VanDerWaalsContact O-N 3.15Å
460S73.6Confident83.9Confident87 Ų8760.8 Ų60.861%0.60834%0.341SS*.THydrogen-bonded Turntrans-70.2-8.2-176.766.20000114.5D393D393-S460 VanDerWaalsContact CG-N 3.33Å; D393-S460 WeakPolarHBondContact OD1-CB 3.47Å; D393-S460 PolarHBondContact OD1-N 3.29Å; D393-S460 PolarHBondContact OD1-OG 3.39Å; D393-S460 PolarHBondContact OD2-N 3.41Å; D393-S460 PolarHBondContact OD2-OG 3.26Å
461G71.3Confident84.1Confident32 Ų3261.7 Ų61.733%0.3334%0.336SS..THydrogen-bonded Turntrans-81.2-6.3-176.600000118G459G459-G461 PolarHBondContact O-N 3.17Å; G459-G461 VanDerWaalsContact O-N 3.15Å
462G79.2Confident84.2Confident31 Ų3157.3 Ų57.332%0.3232%0.32SS..  trans63-161.6-177.300000114.3Y457 R464Y457-G462 WeakPolarHBondContact CB-O 3.43Å; G462-R464 WeakPolarHBondContact O-CG 3.45Å; G462-R464 PolarHBondContact O-N 3.47Å
463P83.9Confident84.2Confident92 Ų9257.9 Ų57.960%0.59733%0.329SS*.SBendtrans-69.9123.4-178.529.3-34.9000111.3F454F454-P463 WeakPolarHBondContact O-CA 3.48Å
464R85.9Confident84.3Confident45 Ų4561.6 Ų61.617%0.1734%0.34CS..EExtended strand (participates in β ladder)trans-110.5146.7-172.8-39.3-164.487.9-120.70.5111.3N387 F389 F454 Y457 G462N387-R464 VanDerWaalsContact CG-NH1 3.29Å; N387-R464 PolarHBondContact O-NH1 2.87Å; N387-R464 PolarHBondContact OD1-NH1 3.32Å; N387-R464 PolarHBondContact OD1-NH2 3.09Å; F389-R464 PolarHBondContact O-NH1 3.34Å; F454-R464 WeakPolarHBondContact CB-O 3.33Å; F454-R464 PolarHBondContact N-O 3.28Å; F454-R464 PolarHBondContact O-N 3.44Å; F454-R464 VanDerWaalsContact O-N 3.08Å; Y457-R464 HydrophobicContact CD1-CG 4.2Å; Y457-R464 HydrophobicContact CG-CG 4.4Å; G462-R464 WeakPolarHBondContact O-CG 3.45Å; G462-R464 PolarHBondContact O-N 3.47Å
465Q91.1Very high84.4Confident118 Ų11864.3 Ų64.355%0.55136%0.357SS*.EExtended strand (participates in β ladder)trans-87.4126.5170-75.4-177.7-14.200110N387 A452 L453N387-Q465 PolarHBondContact ND2-O 2.66Å; A452-Q465 WeakPolarHBondContact O-CA 3.33Å; L453-Q465 HydrophobicContact CD2-CG 3.6Å; L453-Q465 HydrophobicContact CG-CG 4.38Å
466L92.5Very high84.9Confident3 Ų366 Ų662%0.01636%0.363CS..  trans-80.3142.6175.1-60.4179.8000110.7A388 L408 L449 K451 A452 F454A388-L466 HydrophobicContact CB-CD2 3.69Å; L408-L466 HydrophobicContact CD2-CD1 4.16Å; L449-L466 HydrophobicContact CD2-CD1 4.47Å; K451-L466 VanDerWaalsContact CA-O 3.24Å; K451-L466 WeakPolarHBondContact CA-O 3.24Å; K451-L466 PolarHBondContact N-O 3.3Å; A452-L466 PolarHBondContact O-N 3.25Å; F454-L466 HydrophobicContact CB-CD1 4.25Å; F454-L466 HydrophobicContact CB-CD2 3.99Å; F454-L466 HydrophobicContact CB-CG 3.96Å; F454-L466 HydrophobicContact CG-CD2 4.38Å
467E93.1Very high85.3Confident98 Ų9863.9 Ų63.946%0.45835%0.349SS..EExtended strand (participates in β ladder)trans-111.7127165.2172.1168-110.200108.5L385 K386L385-E467 CarbonylContact C-O 3.46Å; L385-E467 WeakPolarHBondContact CA-O 3.47Å; K386-E467 HydrophobicContact CB-CB 4.22Å; K386-E467 HydrophobicContact CD-CG 4.37Å; K386-E467 WeakPolarHBondContact CD-OE2 3.39Å; K386-E467 PolarHBondContact N-O 3.37Å; K386-E467 IonicContact NZ-OE2 2.81Å; K386-E467 PolarHBondContact O-N 3.03Å
468A94.6Very high85.3Confident9 Ų966.5 Ų66.57%0.07437%0.37CS..EExtended strand (participates in β ladder)trans-115.7116.9-173.600000110.8V383 I384 L385 L449V383-A468 HydrophobicContact CG1-CB 4.27Å; I384-A468 WeakPolarHBondContact O-CA 3.49Å; L385-A468 HydrophobicContact CD2-CB 3.67Å; L449-A468 HydrophobicContact CB-CB 3.87Å
469E93.1Very high85.1Confident69 Ų6966.8 Ų66.832%0.32237%0.37SS..EExtended strand (participates in β ladder)trans-118.1156-179.2-70.3179.4172.100111.4V383 I384 K386V383-E469 WeakPolarHBondContact CA-O 3.42Å; I384-E469 PolarHBondContact N-O 2.99Å; I384-E469 PolarHBondContact O-N 3.33Å; K386-E469 WeakPolarHBondContact CE-OE2 3.19Å; K386-E469 IonicContact NZ-OE1 3.97Å; K386-E469 PolarHBondContact NZ-OE1 2.89Å; K386-E469 IonicContact NZ-OE2 3.31Å; K386-E469 PolarHBondContact NZ-OE2 2.75Å; K386-E469 VanDerWaalsContact NZ-OE2 3.09Å
470R93Very high84.6Confident98 Ų9870.5 Ų70.537%0.3739%0.394SS..EExtended strand (participates in β ladder)trans-85.8132.5171.7-170.4-175.1-114.2-144.9-4.2109.6E380 D443 I446E380-R470 VanDerWaalsContact CD-NH1 3.33Å; E380-R470 IonicContact OE2-CZ 3.2Å; E380-R470 IonicContact OE2-NH1 2.65Å; E380-R470 PolarHBondContact OE2-NH1 2.74Å; E380-R470 IonicContact OE2-NH2 2.73Å; E380-R470 PolarHBondContact OE2-NH2 3.38Å; D443-R470 IonicContact OD1-CZ 2.97Å; D443-R470 IonicContact OD1-NE 2.61Å; D443-R470 IonicContact OD1-NH2 2.65Å; D443-R470 PolarHBondContact OD1-NH2 2.81Å; D443-R470 IonicContact OD2-NH2 2.97Å; I446-R470 HydrophobicContact CD1-CB 3.74Å; I446-R470 HydrophobicContact CD1-CG 4.25Å
471W93.6Very high84.2Confident73 Ų7370.1 Ų70.128%0.27738%0.383SS..  trans-67.9135.2177.7-169.544.3000112.5K379 V382 I384 G473 T475 Y477K379-W471 HydrophobicContact CB-CE3 4.09Å; K379-W471 HydrophobicContact CB-CZ3 4.47Å; V382-W471 HydrophobicContact CB-CB 3.83Å; V382-W471 HydrophobicContact CB-CD2 4.43Å; V382-W471 HydrophobicContact CB-CE3 3.94Å; V382-W471 HydrophobicContact CB-CG 4.44Å; V382-W471 HydrophobicContact CG1-CB 3.86Å; V382-W471 HydrophobicContact CG1-CD2 4.29Å; V382-W471 HydrophobicContact CG1-CE3 4.13Å; V382-W471 HydrophobicContact CG1-CG 4.21Å; V382-W471 HydrophobicContact CG2-CE3 3.96Å; V382-W471 WeakPolarHBondContact O-CB 3.45Å; V382-W471 PolarHBondContact O-N 2.83Å; I384-W471 HydrophobicContact CD1-CB 4.02Å; I384-W471 HydrophobicContact CD1-CG 4.08Å; I384-W471 HydrophobicContact CG1-CB 3.95Å; I384-W471 HydrophobicContact CG1-CG 4.31Å; W471-G473 VanDerWaalsContact C-N 3.33Å; W471-T475 VanDerWaalsContact CD1-OG1 3.25Å; W471-T475 PolarHBondContact NE1-O 3.48Å; W471-T475 PolarHBondContact NE1-OG1 2.9Å; W471-T475 VanDerWaalsContact NE1-OG1 3.08Å; W471-Y477 AromaticContact CD1-CE2 3.82Å; W471-Y477 AromaticContact NE1-CE2 3.99Å
472D88.9Confident84Confident70 Ų7071.5 Ų71.537%0.37439%0.387SS..  trans-76.8-21.5-178.382.6-40.9000113.2K379 K474 T475K379-D472 WeakPolarHBondContact CD-O 3.45Å; K379-D472 PolarHBondContact NZ-O 3.49Å; D472-K474 PolarHBondContact OD1-N 2.84Å; D472-K474 WeakPolarHBondContact OD2-CB 3.5Å; D472-T475 PolarHBondContact OD1-N 2.87Å; D472-T475 PolarHBondContact OD1-OG1 3.41Å
473G86.6Confident83.4Confident33 Ų3378 Ų7834%0.3441%0.407SS..SBendtrans93.411-175.800000115.2W471W471-G473 VanDerWaalsContact C-N 3.33Å
474K84.8Confident82.8Confident178 Ų17879 Ų7977%0.77441%0.407SS*.  trans-137.6-31.3-178.3-51.4175-178.8173.10114.1D472 N476D472-K474 PolarHBondContact OD1-N 2.84Å; D472-K474 WeakPolarHBondContact OD2-CB 3.5Å; K474-N476 PolarHBondContact O-N 2.76Å
475T86.8Confident82.1Confident58 Ų5883.3 Ų83.336%0.35643%0.427SS..  trans-63.9129.2178.253.20000110.3W471 D472 Y477W471-T475 VanDerWaalsContact CD1-OG1 3.25Å; W471-T475 PolarHBondContact NE1-O 3.48Å; W471-T475 PolarHBondContact NE1-OG1 2.9Å; W471-T475 VanDerWaalsContact NE1-OG1 3.08Å; D472-T475 PolarHBondContact OD1-N 2.87Å; D472-T475 PolarHBondContact OD1-OG1 3.41Å; T475-Y477 WeakPolarHBondContact OG1-CE2 3.27Å; T475-Y477 PolarHBondContact OG1-OH 2.81Å
476N84.9Confident81.2Confident126 Ų12682 Ų8267%0.67442%0.421SS*.  trans-105.4113.5172.3-177.820000108.9K474 S478K474-N476 PolarHBondContact O-N 2.76Å; N476-S478 VanDerWaalsContact C-N 3.32Å; N476-S478 VanDerWaalsContact OD1-CB 3.27Å; N476-S478 WeakPolarHBondContact OD1-CB 3.47Å; N476-S478 PolarHBondContact OD1-N 2.98Å; N476-S478 VanDerWaalsContact OD1-N 3.11Å
477Y83.1Confident80.5Confident33 Ų3384 Ų8413%0.12944%0.438CS..  trans-86.9-2.7179-60.1-78.8000113.2I384 H424 H427 V431 W471 T475 V479I384-Y477 HydrophobicContact CD1-CD2 3.99Å; I384-Y477 HydrophobicContact CD1-CE2 3.55Å; I384-Y477 HydrophobicContact CG1-CE2 3.72Å; I384-Y477 HydrophobicContact CG2-CD2 4.5Å; I384-Y477 HydrophobicContact CG2-CE1 4.19Å; I384-Y477 HydrophobicContact CG2-CE2 4.01Å; H424-Y477 WeakPolarHBondContact CB-O 3.35Å; H427-Y477 AromaticContact CD2-CD1 3.98Å; H427-Y477 AromaticContact NE2-CD1 3.74Å; V431-Y477 HydrophobicContact CG1-CD1 3.83Å; V431-Y477 HydrophobicContact CG1-CE1 4.4Å; V431-Y477 HydrophobicContact CG1-CG 3.91Å; V431-Y477 HydrophobicContact CG2-CD1 4.49Å; W471-Y477 AromaticContact CD1-CE2 3.82Å; W471-Y477 AromaticContact NE1-CE2 3.99Å; T475-Y477 WeakPolarHBondContact OG1-CE2 3.27Å; T475-Y477 PolarHBondContact OG1-OH 2.81Å; Y477-V479 PolarHBondContact O-N 2.94Å
478S79.4Confident80Confident70 Ų7082.7 Ų82.749%0.4944%0.439SS..  trans-74.393.3174-173.40000109.4H424 N476 S480H424-S478 PolarHBondContact ND1-N 2.73Å; N476-S478 VanDerWaalsContact C-N 3.32Å; N476-S478 VanDerWaalsContact OD1-CB 3.27Å; N476-S478 WeakPolarHBondContact OD1-CB 3.47Å; N476-S478 PolarHBondContact OD1-N 2.98Å; N476-S478 VanDerWaalsContact OD1-N 3.11Å; S478-S480 PolarHBondContact O-N 2.72Å
479V72.9Confident79.4Confident63 Ų6388.8 Ų88.838%0.38246%0.46SS..  trans-70.2109.1172-1800000108.7A426 H427 Y477A426-V479 HydrophobicContact CB-CB 4.28Å; H427-V479 HydrophobicContact CB-CG2 3.89Å; Y477-V479 PolarHBondContact O-N 2.94Å
480S65.1Low78.8Confident95 Ų9590.3 Ų90.366%0.66447%0.47SS*.PPolyproline II helixtrans-83.9164.1159.159.70000109.8S478 S482S478-S480 PolarHBondContact O-N 2.72Å; S480-S482 PolarHBondContact O-N 3.11Å
481E64.6Low78.4Confident79 Ų7991.7 Ų91.737%0.36948%0.481SS..PPolyproline II helixtrans-55.7132.2165.3-61-171.2141.900108.5K485 E486 R489E481-K485 HydrophobicContact CB-CB 4.39Å; E481-E486 HydrophobicContact CB-CG 3.48Å; E481-E486 VanDerWaalsContact CB-CG 3.48Å; E481-R489 WeakPolarHBondContact OE1-CD 3.32Å; E481-R489 IonicContact OE1-CZ 2.76Å; E481-R489 IonicContact OE1-NE 2.89Å; E481-R489 PolarHBondContact OE1-NE 2.81Å; E481-R489 IonicContact OE2-CZ 3.97Å; E481-R489 VanDerWaalsContact OE2-CZ 3.31Å; E481-R489 IonicContact OE2-NE 3.53Å; E481-R489 PolarHBondContact OE2-NE 2.65Å; E481-R489 IonicContact OE2-NH2 2.63Å; E481-R489 PolarHBondContact OE2-NH2 2.99Å
482S66.3Low77.9Confident60 Ų6091.9 Ų91.942%0.4249%0.493SS..PPolyproline II helixtrans-67.9151.9167-169.70000107.9S480 D484 K485 E486S480-S482 PolarHBondContact O-N 3.11Å; S482-D484 WeakPolarHBondContact CB-OD2 3.24Å; S482-D484 PolarHBondContact O-N 3.43Å; S482-D484 PolarHBondContact OG-OD2 2.83Å; S482-K485 CarbonylContact O-C 3.56Å; S482-K485 WeakPolarHBondContact O-CA 3.42Å; S482-K485 WeakPolarHBondContact O-CB 3.45Å; S482-K485 PolarHBondContact O-N 2.9Å; S482-E486 PolarHBondContact O-N 3.27Å
483K68.4Low77.4Confident168 Ų16895.4 Ų95.473%0.7350%0.501SS*.Hα-helixtrans-51.9-32177.7-68-175.5176.2-1760113A487K483-A487 WeakPolarHBondContact O-CB 2.88Å; K483-A487 PolarHBondContact O-N 3.1Å
484D70.8Confident77.3Confident113 Ų11398 Ų9860%0.60451%0.508SS*.Hα-helixtrans-71.4-38177.3-27.9-82000111.5S482 S488S482-D484 WeakPolarHBondContact CB-OD2 3.24Å; S482-D484 PolarHBondContact O-N 3.43Å; S482-D484 PolarHBondContact OG-OD2 2.83Å; D484-S488 PolarHBondContact O-N 2.98Å; D484-S488 PolarHBondContact O-OG 2.92Å
485K71.1Confident77.3Confident135 Ų13597.1 Ų97.159%0.58751%0.506SS*.Hα-helixtrans-71.4-40.6172.1-71-171174.5-173.60111.7E481 S482 A487 S488 R489E481-K485 HydrophobicContact CB-CB 4.39Å; S482-K485 CarbonylContact O-C 3.56Å; S482-K485 WeakPolarHBondContact O-CA 3.42Å; S482-K485 WeakPolarHBondContact O-CB 3.45Å; S482-K485 PolarHBondContact O-N 2.9Å; K485-A487 VanDerWaalsContact C-N 3.3Å; K485-A487 PolarHBondContact O-N 2.96Å; K485-S488 PolarHBondContact O-N 3.09Å; K485-R489 VanDerWaalsContact O-CB 3.28Å; K485-R489 WeakPolarHBondContact O-CB 3.34Å; K485-R489 PolarHBondContact O-N 3.45Å
486E71.5Confident77.1Confident92 Ų92102.9 Ų102.943%0.4352%0.523SS..Hα-helixtrans-57.5-46.3171.9-65.3-178.8140.900109.9E481 S482 R489 L490E481-E486 HydrophobicContact CB-CG 3.48Å; E481-E486 VanDerWaalsContact CB-CG 3.48Å; S482-E486 PolarHBondContact O-N 3.27Å; E486-R489 PolarHBondContact O-N 2.69Å; E486-L490 WeakPolarHBondContact O-CB 3.37Å; E486-L490 PolarHBondContact O-N 2.88Å
487A78.6Confident76.9Confident45 Ų45102.4 Ų102.437%0.37252%0.52SS..Hα-helixtrans-64.7-46.3177.500000112.9K483 K485 R489 L490 Q491K483-A487 WeakPolarHBondContact O-CB 2.88Å; K483-A487 PolarHBondContact O-N 3.1Å; K485-A487 VanDerWaalsContact C-N 3.3Å; K485-A487 PolarHBondContact O-N 2.96Å; A487-R489 VanDerWaalsContact C-N 3.31Å; A487-R489 PolarHBondContact O-N 3.28Å; A487-L490 WeakPolarHBondContact O-CB 3.32Å; A487-L490 PolarHBondContact O-N 2.84Å; A487-L490 VanDerWaalsContact O-N 3.16Å; A487-Q491 WeakPolarHBondContact O-CG 3.14Å; A487-Q491 PolarHBondContact O-N 3.41Å
488S82Confident75.5Confident70 Ų70102.6 Ų102.649%0.4953%0.532SS..Hα-helixtrans-64.8-33.6175-63.50000112.6D484 K485 S492D484-S488 PolarHBondContact O-N 2.98Å; D484-S488 PolarHBondContact O-OG 2.92Å; K485-S488 PolarHBondContact O-N 3.09Å; S488-S492 VanDerWaalsContact O-CB 3.3Å; S488-S492 WeakPolarHBondContact O-CB 3.35Å; S488-S492 PolarHBondContact O-N 2.59Å
489R81.7Confident74.1Confident136 Ų136103.3 Ų103.351%0.51355%0.55SS.*Hα-helixtrans-69.8-33.3173-168.9172.762.366.81.7111.7E481 K485 E486 A487 W493E481-R489 WeakPolarHBondContact OE1-CD 3.32Å; E481-R489 IonicContact OE1-CZ 2.76Å; E481-R489 IonicContact OE1-NE 2.89Å; E481-R489 PolarHBondContact OE1-NE 2.81Å; E481-R489 IonicContact OE2-CZ 3.97Å; E481-R489 VanDerWaalsContact OE2-CZ 3.31Å; E481-R489 IonicContact OE2-NE 3.53Å; E481-R489 PolarHBondContact OE2-NE 2.65Å; E481-R489 IonicContact OE2-NH2 2.63Å; E481-R489 PolarHBondContact OE2-NH2 2.99Å; K485-R489 VanDerWaalsContact O-CB 3.28Å; K485-R489 WeakPolarHBondContact O-CB 3.34Å; K485-R489 PolarHBondContact O-N 3.45Å; E486-R489 PolarHBondContact O-N 2.69Å; A487-R489 VanDerWaalsContact C-N 3.31Å; A487-R489 PolarHBondContact O-N 3.28Å; R489-W493 VanDerWaalsContact O-CB 3.27Å; R489-W493 WeakPolarHBondContact O-CB 3.23Å; R489-W493 PolarHBondContact O-N 3.14Å
490L81.5Confident72.7Confident102 Ų102106.4 Ų106.453%0.53457%0.565SS.*Hα-helixtrans-69-47.9172.4-139.876.4000111.3E486 A487 S492 W493 D494E486-L490 WeakPolarHBondContact O-CB 3.37Å; E486-L490 PolarHBondContact O-N 2.88Å; A487-L490 WeakPolarHBondContact O-CB 3.32Å; A487-L490 PolarHBondContact O-N 2.84Å; A487-L490 VanDerWaalsContact O-N 3.16Å; L490-S492 PolarHBondContact O-N 3.4Å; L490-W493 CarbonylContact O-C 3.59Å; L490-W493 WeakPolarHBondContact O-CA 3.48Å; L490-W493 WeakPolarHBondContact O-CB 3.37Å; L490-W493 PolarHBondContact O-N 3.15Å; L490-D494 PolarHBondContact O-N 2.96Å
491Q83.8Confident71.5Confident126 Ų126107.9 Ų107.959%0.58958%0.575SS**Hα-helixtrans-59.3-46.7177-73.1169.9-19.800112A487 W493 D494 E495A487-Q491 WeakPolarHBondContact O-CG 3.14Å; A487-Q491 PolarHBondContact O-N 3.41Å; Q491-W493 PolarHBondContact O-N 3.4Å; Q491-D494 PolarHBondContact O-N 3.08Å; Q491-E495 WeakPolarHBondContact O-CB 3.37Å; Q491-E495 PolarHBondContact O-N 2.64Å
492S83.4Confident70.2Confident77 Ų77109.3 Ų109.354%0.53859%0.594SS.*Hα-helixtrans-65.4-19.3174.5-179.30000113.1S488 L490 Y496S488-S492 VanDerWaalsContact O-CB 3.3Å; S488-S492 WeakPolarHBondContact O-CB 3.35Å; S488-S492 PolarHBondContact O-N 2.59Å; L490-S492 PolarHBondContact O-N 3.4Å; S492-Y496 VanDerWaalsContact O-CB 3.22Å; S492-Y496 WeakPolarHBondContact O-CB 3.42Å; S492-Y496 PolarHBondContact O-N 2.85Å
493W78.4Confident69.1Low144 Ų144111.2 Ų111.255%0.54561%0.607SS.*Hα-helixtrans-86.5-40.8175-174.2-89.7000111.7R489 L490 Q491 E495 Y496 L497R489-W493 VanDerWaalsContact O-CB 3.27Å; R489-W493 WeakPolarHBondContact O-CB 3.23Å; R489-W493 PolarHBondContact O-N 3.14Å; L490-W493 CarbonylContact O-C 3.59Å; L490-W493 WeakPolarHBondContact O-CA 3.48Å; L490-W493 WeakPolarHBondContact O-CB 3.37Å; L490-W493 PolarHBondContact O-N 3.15Å; Q491-W493 PolarHBondContact O-N 3.4Å; W493-E495 VanDerWaalsContact C-N 3.35Å; W493-Y496 PolarHBondContact O-N 2.99Å; W493-L497 WeakPolarHBondContact O-CB 3.48Å; W493-L497 WeakPolarHBondContact O-CG 3.41Å; W493-L497 PolarHBondContact O-N 2.85Å
494D84.8Confident67.6Low89 Ų89108 Ų10848%0.47661%0.605SS.*Hα-helixtrans-65.2-38.4173.8-66-28.7000111.2L490 Q491 G498L490-D494 PolarHBondContact O-N 2.96Å; Q491-D494 PolarHBondContact O-N 3.08Å; D494-G498 PolarHBondContact O-N 3.02Å
495E85.2Confident66Low159 Ų159109.5 Ų109.574%0.74361%0.614SS**Hα-helixtrans-66.1-39.9171.4-170.9173-162.700111.7Q491 W493 G498Q491-E495 WeakPolarHBondContact O-CB 3.37Å; Q491-E495 PolarHBondContact O-N 2.64Å; W493-E495 VanDerWaalsContact C-N 3.35Å; E495-G498 PolarHBondContact O-N 3.09Å; E495-G498 VanDerWaalsContact O-N 3.14Å
496Y81.4Confident64.5Low179 Ų179111 Ų11170%0.70262%0.623SS**Hα-helixtrans-69.2-34.5176.3176-100.8000113.7S492 W493 G498S492-Y496 VanDerWaalsContact O-CB 3.22Å; S492-Y496 WeakPolarHBondContact O-CB 3.42Å; S492-Y496 PolarHBondContact O-N 2.85Å; W493-Y496 PolarHBondContact O-N 2.99Å; Y496-G498 PolarHBondContact O-N 3.43Å
497L81Confident63Low116 Ų116114.4 Ų114.461%0.60764%0.638SS**THydrogen-bonded Turntrans-68.9-13171.5-74.6-179.3000112.8W493W493-L497 WeakPolarHBondContact O-CB 3.48Å; W493-L497 WeakPolarHBondContact O-CG 3.41Å; W493-L497 PolarHBondContact O-N 2.85Å
498G54.5Low60.8Low37 Ų37118.6 Ų118.638%0.38166%0.66SS.*  trans80.5104.5-176.200000111.1D494 E495 Y496 D500D494-G498 PolarHBondContact O-N 3.02Å; E495-G498 PolarHBondContact O-N 3.09Å; E495-G498 VanDerWaalsContact O-N 3.14Å; Y496-G498 PolarHBondContact O-N 3.43Å; G498-D500 PolarHBondContact O-N 2.87Å
499G49.4Very low58.8Low85 Ų85122.3 Ų122.388%0.87667%0.674SS**SBendtrans-67.425174.700000115.4
500D42.3Very low56.6Low128 Ų128121.1 Ų121.168%0.68468%0.682SS**  trans-139.871.2178.7-1663.7000111.1G498 S502G498-D500 PolarHBondContact O-N 2.87Å; D500-S502 VanDerWaalsContact C-N 3.29Å; D500-S502 PolarHBondContact OD1-N 3.13Å
501S41Very low54.7Low125 Ų125124.6 Ų124.687%0.87470%0.695SS**  trans-99.841.116036.70000110.5
502S38Very low52.6Low110 Ų110123 Ų12377%0.76970%0.704SS**  trans-11051.5177.9-178.60000111.5D500D500-S502 VanDerWaalsContact C-N 3.29Å; D500-S502 PolarHBondContact OD1-N 3.13Å
503S41.7Very low50.6Low99 Ų99123.9 Ų123.969%0.69271%0.71SS**  trans-143.6122.2-177.9-172.30000112.4
504S36.5Very low48.8Very low101 Ų101124.2 Ų124.271%0.70672%0.721SS**  trans50.3123.5158.4-67.60000119.9
505D38.3Very low46.7Very low145 Ų145124.5 Ų124.578%0.77573%0.73SS**  cis-151.9-139.30.5-127.1-85.3000109.6
506E39.5Very low44.5Very low167 Ų167124 Ų12478%0.7873%0.732SS**  cis-160.3175.39.8-149.8169.4-15700110.2
507E40.3Very low42.7Very low162 Ų162121.4 Ų121.476%0.75773%0.731SS**  trans45.185162.6-54.5-145134.900121.5
508T33.1Very low40.9Very low133 Ų133121.7 Ų121.782%0.81673%0.733SS**  42.7119.1127.6580000122.4
509N38.8Very low40.3Very low149 Ų149125.6 Ų125.680%0.79775%0.745SS**  -160.7138.4111.3-158-2.4000113.7
510T35.7Very low40.1Very low111 Ų111127.4 Ų127.468%0.68173%0.734SS**  trans-30.1148.6160.3-9.20000114.8
511Q41.9Very low40.2Very low174 Ų174127.2 Ų127.281%0.81373%0.734SS**  cis-176.7140.643.4-171.4170.830.800113.8
512A39.2Very low40.2Very low93 Ų93127.4 Ų127.477%0.76973%0.725SS**  trans59.5151.2155.300000120.6
513S40.8Very low40.3Very low95 Ų95126.8 Ų126.866%0.66472%0.719SS**  cis-174.2155.1-15.252.50000111
514I42Very low40.3Very low152 Ų152127.8 Ų127.878%0.77972%0.717SS**  trans71118.2167.5-55153.1000114.3
515S39.4Very low40.4Very low94 Ų94128.8 Ų128.866%0.65771%0.714SS**  cis96.390.41788.50000117.3
516D40.5Very low40.3Very low149 Ų149128.2 Ų128.280%0.79771%0.711SS**  trans173.8156.1147.8-95.7-27.6000109.2
517N42.7Very low40.2Very low125 Ų125124.7 Ų124.767%0.66870%0.701SS**  cis-168.4155.1-43.7-127.9-41.6000108.9
518N42.3Very low40.1Very low121 Ų121125.5 Ų125.565%0.64771%0.705SS**  trans63.4108.1156.9-67.9-31.2000122.7
519N43.2Very low40.2Very low120 Ų120123.5 Ų123.564%0.64270%0.697SS**  92.9118.4108.7-66.2-4.2000123.2
520N45.1Very low40.1Very low122 Ų122122.3 Ų122.365%0.65270%0.7SS**  80.9118.9122-62.411.4000121.2
521N44.8Very low40.1Very low125 Ų125120.2 Ų120.267%0.66870%0.7SS**  71.4155.3120.1-66.441.3000119.2
522D40.1Very low40Very low129 Ų129118.4 Ų118.469%0.6970%0.701SS**  cis-145-175.62.3-129.8-37.3000112.8
523C40.8Very low39.9Very low96 Ų96120.5 Ų120.565%0.64970%0.699SS**  trans-57.6-176.4166.162.70000114.2
524D40.7Very low39.5Very low121 Ų121121.5 Ų121.565%0.64770%0.701SS**  cis-165.4170.318.3-146-2.9000113.6
525N39.1Very low39.1Very low121 Ų121120 Ų12065%0.64770%0.699SS**  trans34.2154.6142.3-79.5-42.6000123.2
526N37.2Very low38.9Very low134 Ų134120.6 Ų120.672%0.71770%0.704SS**  cis-179.2-176.8-19.9-161.7-9.6000109.3
527T37.5Very low38.7Very low93 Ų93125.4 Ų125.457%0.57171%0.711SS**  trans87.4104142.6-55.50000120.9
528E37.5Very low38.3Very low178 Ų178127.2 Ų127.283%0.83271%0.712SS**  trans63.7158.6136.2-66.1177.6169.800121.9
529S35.4Very low38.1Very low92 Ų92127 Ų12764%0.64372%0.721SS**  cis-166.7167.9-25.460.40000111.3
530S36.7Very low37.9Very low124 Ų124128 Ų12887%0.86772%0.722SS**  trans67.1148.1171.277.70000118
531G35.7Very low37.5Very low67 Ų67131 Ų13169%0.69174%0.737SS**  cis169.7171.4-11.700000114.4
532V39.9Very low37.2Very low136 Ų136128.9 Ų128.982%0.82474%0.736SS**  trans80.2118.5154.7-170.70000120
533D35.8Very low37.1Very low136 Ų136131.6 Ų131.673%0.72774%0.742SS**  trans78.2126.3145.9-72.2-9.9000128
534T33.9Very low37.1Very low116 Ų116134.2 Ų134.271%0.71275%0.75SS**  trans88.4113.9135.950.40000124.1
535T33.6Very low37.3Very low120 Ų120133.3 Ų133.374%0.73675%0.748SS**  trans78.7116.9136.357.30000122
536S34.8Very low37.3Very low107 Ų107132.3 Ų132.375%0.74875%0.749SS**  59.898.5127.6-56.50000119.8
537R35.9Very low37.5Very low251 Ų251130.9 Ų130.995%0.94775%0.749SS**  -158.8140.4113.4-110.8158.4-177.4176.8-0.2115.6
538K35.2Very low37.5Very low162 Ų162131 Ų13170%0.70475%0.746SS**  trans-45.5126.6165.7177.3-160.3-170.2-164.20111.3E540K538-E540 HydrophobicContact CD-CG 4.22Å; K538-E540 WeakPolarHBondContact CE-OE1 3.39Å; K538-E540 HydrophobicContact CG-CG 4.44Å; K538-E540 VanDerWaalsContact NZ-CD 3.32Å; K538-E540 IonicContact NZ-OE1 2.69Å; K538-E540 PolarHBondContact NZ-OE1 2.95Å; K538-E540 IonicContact NZ-OE2 2.62Å; K538-E540 PolarHBondContact O-N 3.04Å
539S36.7Very low37.7Very low118 Ų118131.2 Ų131.283%0.82574%0.741SS**  trans-77.9115.8169.443.30000110.8
540E39.8Very low38.1Very low140 Ų140136.3 Ų136.365%0.65475%0.746SS**  trans-110.1125.8160.6-74.2-179.1150.200107.6K538 A542K538-E540 HydrophobicContact CD-CG 4.22Å; K538-E540 WeakPolarHBondContact CE-OE1 3.39Å; K538-E540 HydrophobicContact CG-CG 4.44Å; K538-E540 VanDerWaalsContact NZ-CD 3.32Å; K538-E540 IonicContact NZ-OE1 2.69Å; K538-E540 PolarHBondContact NZ-OE1 2.95Å; K538-E540 IonicContact NZ-OE2 2.62Å; K538-E540 PolarHBondContact O-N 3.04Å; E540-A542 PolarHBondContact O-N 3.26Å
541L37Very low38.4Very low186 Ų186137.3 Ų137.397%0.97474%0.737SS**  trans-7778.6177.8-77164.6000109.3F543L541-F543 PolarHBondContact O-N 3.38Å
542A37.8Very low38.5Very low80 Ų80145 Ų14566%0.66175%0.745SS**  trans-67.3122.3164.600000108.9E540E540-A542 PolarHBondContact O-N 3.26Å
543F38.7Very low38.6Very low185 Ų185145.1 Ų145.181%0.81174%0.741SS**  trans-92.395.2167.3-178-98.2000107L541 V545L541-F543 PolarHBondContact O-N 3.38Å; F543-V545 HydrophobicContact CD1-CG2 3.67Å; F543-V545 HydrophobicContact CE1-CG2 3.75Å; F543-V545 PolarHBondContact O-N 2.69Å
544D39.8Very low39Very low151 Ų151143.5 Ų143.581%0.80774%0.74SS**  trans-60.8118.7179.4-82.9-43.2000110.6
545V45Very low39.1Very low102 Ų102145.1 Ų145.162%0.61874%0.744SS**  trans-112.2123166.9-177.50000106.3F543F543-V545 HydrophobicContact CD1-CG2 3.67Å; F543-V545 HydrophobicContact CE1-CG2 3.75Å; F543-V545 PolarHBondContact O-N 2.69Å
546P40.1Very low39.3Very low100 Ų100148.4 Ų148.465%0.64975%0.751SS**  trans-53140.9-176.2-29.935.9000113.7D548P546-D548 PolarHBondContact O-N 2.84Å; P546-D548 VanDerWaalsContact O-N 3.15Å
547S40.8Very low39.5Very low104 Ų104147.8 Ų147.873%0.72775%0.747SS**G310 helixtrans-55.1-30.5-178.731.90000114.2Y549S547-Y549 PolarHBondContact O-N 3.31Å; S547-Y549 VanDerWaalsContact O-N 3.1Å
548D38Very low39.4Very low95 Ų95145 Ų14551%0.50874%0.744SS.*G310 helixtrans-81.93.6-156.6-44-2.2000113.5P546 W550P546-D548 PolarHBondContact O-N 2.84Å; P546-D548 VanDerWaalsContact O-N 3.15Å; D548-W550 PolarHBondContact O-N 3.03Å; D548-W550 VanDerWaalsContact O-N 3.11Å
549Y42Very low39.4Very low183 Ų183143 Ų14372%0.71875%0.75SS**G310 helixtrans-66-13.2-174.5-166-99000114.2S547S547-Y549 PolarHBondContact O-N 3.31Å; S547-Y549 VanDerWaalsContact O-N 3.1Å
550W43.8Very low39.4Very low200 Ų200143.3 Ų143.376%0.75875%0.753SS**THydrogen-bonded Turntrans-112.4-20-178.8-70.9110.9000115.9D548D548-W550 PolarHBondContact O-N 3.03Å; D548-W550 VanDerWaalsContact O-N 3.11Å
551E41.4Very low39.1Very low145 Ų145139.9 Ų139.968%0.67876%0.755SS**THydrogen-bonded Turntrans-77.3-30.9-176.6-64.1-171.2137.200112L553 S554E551-L553 PolarHBondContact O-N 3.36Å; E551-S554 PolarHBondContact O-N 2.91Å
552R38.3Very low39.3Very low227 Ų227137.1 Ų137.186%0.85775%0.745SS**THydrogen-bonded Turntrans-70.724.2-173.8-125.1174.5-174.5165.22.8116.7
553L42Very low39.3Very low140 Ų140140.1 Ų140.173%0.73375%0.751SS**THydrogen-bonded Turntrans-128.813.5176.9-76.8172.5000113.2E551E551-L553 PolarHBondContact O-N 3.36Å
554S44.2Very low39.5Very low101 Ų101137 Ų13771%0.70675%0.747SS**SBendtrans-117.8-10.5-175.2-47.60000115.2E551E551-S554 PolarHBondContact O-N 2.91Å
555D36.5Very low39.6Very low150 Ų150136.5 Ų136.580%0.80274%0.744SS**  trans-95.59.6-169.1-72-34.7000115.4S557D555-S557 PolarHBondContact O-N 3.08Å
556E38Very low39.7Very low190 Ų190138.4 Ų138.489%0.88875%0.751SS**  trans-8182.9178-102.2-179.7105.200113.3
557S38.7Very low40.3Very low93 Ų93141.3 Ų141.365%0.6576%0.756SS**  trans58121.2141.2630000120.5D555D555-S557 PolarHBondContact O-N 3.08Å
558Q33.5Very low40.6Very low193 Ų193143.4 Ų143.490%0.90276%0.759SS**  trans-62.9131153.5-59.6167.7-6.800110.2
559S36.4Very low41.1Very low119 Ų119142.5 Ų142.583%0.83277%0.772SS**  trans-153.9161.4160.965.50000111.4
560S35Very low41.5Very low126 Ų126137.2 Ų137.288%0.88177%0.773SS**  trans-126.1151.3-161.657.80000114.6
561G35.2Very low41.5Very low67 Ų67133.9 Ų133.969%0.69178%0.78SS**  trans153.1111173.400000109.3
562V40.2Very low42.1Very low128 Ų128130.3 Ų130.378%0.77678%0.783SS**  cis89.614246.8-179.20000111.9
563D38.5Very low42.9Very low144 Ų144124.1 Ų124.177%0.7778%0.78SS**  trans69.8146.5-179.8-56.9-34.4000116.2
564T42Very low43.4Very low120 Ų120125.7 Ų125.774%0.73678%0.783SS**  cis-165.2164-211.90000107.5
565D42Very low43.8Very low140 Ų140127.5 Ų127.575%0.74979%0.79SS**  cis-157.1-154.4-6.6-149.9-40.2000108.3
566D48Very low44.6Very low142 Ų142129.4 Ų129.476%0.75982%0.815SS**  trans75.5141.5165.3-63.1-37000117.9
567E51.7Low44.9Very low160 Ų160126.4 Ų126.475%0.74881%0.812SS**  cis-149.9147.1-0.3-141.3-157.8-13200112.6
568N47Very low45.2Very low149 Ų149128.2 Ų128.280%0.79782%0.82SS**  trans58.4125.1142.9-158.51.8000123.1
569G48.2Very low45.9Very low75 Ų75124.6 Ų124.677%0.77382%0.816SS**  trans167.798.2165.100000114.9
570G50Low46.4Very low72 Ų72124.9 Ų124.974%0.74282%0.815SS**  trans-95.6125.9-162.700000119.3
571S45.2Very low47.2Very low130 Ų130124.8 Ų124.891%0.90981%0.811SS**  trans39.2125.413864.50000123.2
572G54.2Low48Very low71 Ų71128.7 Ų128.773%0.73282%0.819SS**  trans153.8106.6160.600000109.9
573A54.2Low48.5Very low96 Ų96128.7 Ų128.779%0.79382%0.822SS**  cis56.8120.948.400000112.2
574E52.7Low49.3Very low173 Ų173127.5 Ų127.581%0.80883%0.826SS**  cis-158.4160.61-111.1175.8127.200108.7
575T52.3Low49.9Very low140 Ų140128.2 Ų128.286%0.85983%0.833SS**  trans55.6126170.658.80000116.9
576S53.3Low50.6Low190 Ų190127.1 Ų127.1100%1.32984%0.841SS**  cis-160.3038.9-1790000111.9

Retrieved 576 of 576 residues in 332.6 ms (Link to these results)

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