A0A077Z7T3_TRITR Loading...

EMP24 GP25L domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z7T3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 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
1M62.3Low80.7Confident217 Ų217124.2 Ų124.2100%1.06964%0.64SS**  0-41.60-114147.568.900113.4F3M1-F3 PolarHBondContact O-N 2.97Å
2N76.4Confident80.9Confident140 Ų140121.4 Ų121.475%0.74963%0.633SS**Hα-helixtrans-63.5-33.5-179.1-67.5-9.5000115C4 F5 V6N2-C4 PolarHBondContact O-N 3.26Å; N2-F5 PolarHBondContact O-N 3.46Å; N2-V6 WeakPolarHBondContact O-CG2 3.48Å; N2-V6 PolarHBondContact O-N 3.36Å; N2-V6 VanDerWaalsContact O-N 3.13Å
3F79.8Confident80.9Confident180 Ų180116.7 Ų116.779%0.78962%0.622SS**Hα-helixtrans-66.2-38-176-139.2-90.6000113.3M1 L7M1-F3 PolarHBondContact O-N 2.97Å; F3-L7 WeakPolarHBondContact O-CB 3.45Å; F3-L7 PolarHBondContact O-N 3.37Å
4C81.7Confident80.5Confident102 Ų102120.5 Ų120.569%0.68963%0.631SS**Hα-helixtrans-66-37.5174.8-81.60000112.4N2 L7 L8N2-C4 PolarHBondContact O-N 3.26Å; C4-L7 PolarHBondContact O-N 2.97Å; C4-L8 WeakPolarHBondContact O-CB 3.23Å; C4-L8 PolarHBondContact O-N 3.4Å
5F84.7Confident80.1Confident144 Ų144126.7 Ų126.763%0.63264%0.643SS**Hα-helixtrans-68.6-40.2-179.2-149.9-91.2000111.4N2 L8 L9N2-F5 PolarHBondContact O-N 3.46Å; F5-L8 PolarHBondContact O-N 2.97Å; F5-L9 HydrophobicContact CD1-CD1 4.05Å; F5-L9 HydrophobicContact CD1-CG 4.39Å; F5-L9 HydrophobicContact CE1-CD1 4.22Å; F5-L9 HydrophobicContact CE1-CG 4.49Å; F5-L9 WeakPolarHBondContact O-CG 3.49Å; F5-L9 PolarHBondContact O-N 3.05Å
6V85.7Confident79.4Confident86 Ų86123.8 Ų123.852%0.52164%0.638SS.*Hα-helixtrans-65.6-41.8174.2176.80000111.2N2 L8 L9 L10N2-V6 WeakPolarHBondContact O-CG2 3.48Å; N2-V6 PolarHBondContact O-N 3.36Å; N2-V6 VanDerWaalsContact O-N 3.13Å; V6-L8 VanDerWaalsContact C-N 3.31Å; V6-L8 PolarHBondContact O-N 3.01Å; V6-L9 PolarHBondContact O-N 3.13Å; V6-L10 HydrophobicContact CG1-CD1 4.21Å; V6-L10 WeakPolarHBondContact O-CG 3.41Å; V6-L10 PolarHBondContact O-N 3.44Å
7L82.6Confident78.2Confident98 Ų98125.4 Ų125.451%0.51365%0.648SS.*Hα-helixtrans-62-40.7176.3-155.995.8000111.4F3 C4 L10 I11F3-L7 WeakPolarHBondContact O-CB 3.45Å; F3-L7 PolarHBondContact O-N 3.37Å; C4-L7 PolarHBondContact O-N 2.97Å; L7-L10 PolarHBondContact O-N 3.37Å; L7-I11 HydrophobicContact CD2-CD1 4.21Å; L7-I11 HydrophobicContact CG-CD1 4.42Å; L7-I11 WeakPolarHBondContact O-CD1 3.49Å; L7-I11 VanDerWaalsContact O-CG1 3.23Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3.35Å
8L83.8Confident77.1Confident109 Ų109124.8 Ų124.857%0.57166%0.655SS**Hα-helixtrans-68.1-38.7178.9-161.1133.1000112C4 F5 V6 I11 V12C4-L8 WeakPolarHBondContact O-CB 3.23Å; C4-L8 PolarHBondContact O-N 3.4Å; F5-L8 PolarHBondContact O-N 2.97Å; V6-L8 VanDerWaalsContact C-N 3.31Å; V6-L8 PolarHBondContact O-N 3.01Å; L8-I11 PolarHBondContact O-N 2.9Å; L8-V12 HydrophobicContact CD2-CG2 4.43Å; L8-V12 WeakPolarHBondContact O-CG2 3.45Å; L8-V12 PolarHBondContact O-N 3.5Å
9L84.3Confident75.9Confident101 Ų101123.2 Ų123.253%0.52966%0.661SS.*Hα-helixtrans-65.2-39.7172.7-74.8173.8000112.6F5 V6 I11 V12 A13F5-L9 HydrophobicContact CD1-CD1 4.05Å; F5-L9 HydrophobicContact CD1-CG 4.39Å; F5-L9 HydrophobicContact CE1-CD1 4.22Å; F5-L9 HydrophobicContact CE1-CG 4.49Å; F5-L9 WeakPolarHBondContact O-CG 3.49Å; F5-L9 PolarHBondContact O-N 3.05Å; V6-L9 PolarHBondContact O-N 3.13Å; L9-I11 VanDerWaalsContact C-N 3.33Å; L9-V12 PolarHBondContact O-N 3.34Å; L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.36Å
10L83.9Confident75.2Confident105 Ų105123.2 Ų123.255%0.5567%0.666SS.*Hα-helixtrans-65.4-37.4175.3-74.2171.9000111.8V6 L7 F14V6-L10 HydrophobicContact CG1-CD1 4.21Å; V6-L10 WeakPolarHBondContact O-CG 3.41Å; V6-L10 PolarHBondContact O-N 3.44Å; L7-L10 PolarHBondContact O-N 3.37Å; L10-F14 WeakPolarHBondContact O-CB 3.37Å; L10-F14 PolarHBondContact O-N 3.28Å
11I82.9Confident75Confident84 Ų84118.9 Ų118.943%0.43165%0.65SS.*Hα-helixtrans-64.5-50.5172.7-66.1163.1000109.3L7 L8 L9 A13 F14 W15L7-I11 HydrophobicContact CD2-CD1 4.21Å; L7-I11 HydrophobicContact CG-CD1 4.42Å; L7-I11 WeakPolarHBondContact O-CD1 3.49Å; L7-I11 VanDerWaalsContact O-CG1 3.23Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3.35Å; L8-I11 PolarHBondContact O-N 2.9Å; L9-I11 VanDerWaalsContact C-N 3.33Å; I11-A13 VanDerWaalsContact C-N 3.29Å; I11-A13 PolarHBondContact O-N 2.99Å; I11-F14 PolarHBondContact O-N 3.31Å; I11-W15 PolarHBondContact O-N 3.22Å; I11-W15 VanDerWaalsContact O-N 3.16Å
12V82.5Confident76Confident91 Ų91113.1 Ų113.155%0.55262%0.623SS**Hα-helixtrans-59.4-40.1179.2174.10000112.2L8 L9 F14 W15 S16L8-V12 HydrophobicContact CD2-CG2 4.43Å; L8-V12 WeakPolarHBondContact O-CG2 3.45Å; L8-V12 PolarHBondContact O-N 3.5Å; L9-V12 PolarHBondContact O-N 3.34Å; V12-F14 PolarHBondContact O-N 2.91Å; V12-W15 PolarHBondContact O-N 3.16Å; V12-S16 PolarHBondContact O-N 3.07Å
13A80.7Confident76.7Confident60 Ų60111.8 Ų111.850%0.49661%0.612SS.*Hα-helixtrans-66-35.3176.100000112.8L9 I11 W15 S16L9-A13 WeakPolarHBondContact O-CB 3.36Å; L9-A13 PolarHBondContact O-N 3.36Å; I11-A13 VanDerWaalsContact C-N 3.29Å; I11-A13 PolarHBondContact O-N 2.99Å; A13-W15 PolarHBondContact O-N 3.12Å; A13-S16 PolarHBondContact O-N 3.39Å; A13-S16 PolarHBondContact O-OG 3.35Å; A13-S16 VanDerWaalsContact O-OG 3.12Å
14F75.3Confident77.3Confident170 Ų170105.4 Ų105.475%0.74658%0.584SS**Hα-helixtrans-69.4-22175-111-86.4000113.5L10 I11 V12L10-F14 WeakPolarHBondContact O-CB 3.37Å; L10-F14 PolarHBondContact O-N 3.28Å; I11-F14 PolarHBondContact O-N 3.31Å; V12-F14 PolarHBondContact O-N 2.91Å
15W74.6Confident77.8Confident214 Ų214106.4 Ų106.481%0.81158%0.582SS**THydrogen-bonded Turntrans-94.2-2.9179.6-68.254.8000112I11 V12 A13 D17I11-W15 PolarHBondContact O-N 3.22Å; I11-W15 VanDerWaalsContact O-N 3.16Å; V12-W15 PolarHBondContact O-N 3.16Å; A13-W15 PolarHBondContact O-N 3.12Å; W15-D17 PolarHBondContact O-N 3.4Å
16S70.1Confident78.2Confident80 Ų8099.6 Ų99.656%0.55955%0.552SS**  trans-87.832177.484.60000113.4V12 A13 C18V12-S16 PolarHBondContact O-N 3.07Å; A13-S16 PolarHBondContact O-N 3.39Å; A13-S16 PolarHBondContact O-OG 3.35Å; A13-S16 VanDerWaalsContact O-OG 3.12Å; S16-C18 PolarHBondContact O-N 3.33Å
17D58.6Low78.4Confident151 Ų151100.2 Ų100.281%0.80755%0.549SS*.  trans-75.683.5163.6-84.6-29.6000108.2W15 A19W15-D17 PolarHBondContact O-N 3.4Å; D17-A19 VanDerWaalsContact C-N 3.31Å; D17-A19 PolarHBondContact O-N 2.93Å
18C58Low78.7Confident114 Ų11497.9 Ų97.977%0.7754%0.54SS*.  trans-68.689.7166.3-89.30000108.9S16 V20S16-C18 PolarHBondContact O-N 3.33Å; C18-V20 HydrophobicContact CB-CG2 4.35Å; C18-V20 PolarHBondContact O-N 3.19Å
19A55.3Low78.7Confident95 Ų9597 Ų9779%0.78554%0.542SS*.  trans-73.4102.5161.300000108.3D17D17-A19 VanDerWaalsContact C-N 3.31Å; D17-A19 PolarHBondContact O-N 2.93Å
20V61.8Low79Confident123 Ų12399.6 Ų99.675%0.74555%0.545SS*.  trans-96.4102.4174.7-177.10000107.9C18C18-V20 HydrophobicContact CB-CG2 4.35Å; C18-V20 PolarHBondContact O-N 3.19Å
21G69.4Low79.4Confident32 Ų3298.1 Ų98.133%0.3354%0.542SS..SBendtrans149.3145.3177.400000112.7
22L84.3Confident80Confident97 Ų9796.5 Ų96.551%0.50854%0.536SS..EExtended strand (participates in β ladder)trans-90.4107.7173.7-70.8164.7000109.1L34 S113 L114L22-L34 HydrophobicContact CD1-CD2 3.57Å; L22-S113 WeakPolarHBondContact O-CA 2.97Å; L22-L114 PolarHBondContact N-O 3.38Å; L22-L114 PolarHBondContact O-N 2.69Å
23H90.2Very high80.6Confident112 Ų11294.4 Ų94.452%0.51953%0.525SS..EExtended strand (participates in β ladder)trans-101128.5174.7-66.3-95.8000110.4E111 V112 S113H23-E111 IonicContact ND1-OE1 2.69Å; H23-V112 CarbonylContact C-O 3.52Å; H23-V112 WeakPolarHBondContact CA-O 3.07Å; H23-S113 VanDerWaalsContact CE1-CB 3.48Å; H23-S113 WeakPolarHBondContact CE1-CB 3.05Å; H23-S113 PolarHBondContact CE1-OG 3.22Å; H23-S113 PolarHBondContact NE2-OG 3.23Å
24F92.3Very high81.3Confident46 Ų4694.4 Ų94.420%0.20252%0.516CS..EExtended strand (participates in β ladder)trans-143.3155.2176.459.2-91.4000112.6V32 V97 V112 L114F24-V32 HydrophobicContact CD2-CB 4Å; F24-V32 HydrophobicContact CD2-CG1 3.74Å; F24-V32 HydrophobicContact CD2-CG2 4.2Å; F24-V32 HydrophobicContact CE2-CB 3.71Å; F24-V32 HydrophobicContact CE2-CG1 3.7Å; F24-V32 HydrophobicContact CE2-CG2 4.29Å; F24-V32 HydrophobicContact CG-CG1 4.29Å; F24-V32 HydrophobicContact CZ-CB 4.48Å; F24-V32 HydrophobicContact CZ-CG1 4.22Å; F24-V97 HydrophobicContact CZ-CB 4.42Å; F24-V97 HydrophobicContact CZ-CG2 4.25Å; F24-V112 HydrophobicContact CD2-CB 4.12Å; F24-V112 HydrophobicContact CE1-CB 4.2Å; F24-V112 HydrophobicContact CE1-CG1 4Å; F24-V112 HydrophobicContact CE2-CB 3.67Å; F24-V112 HydrophobicContact CE2-CG1 3.99Å; F24-V112 HydrophobicContact CE2-CG2 4.07Å; F24-V112 HydrophobicContact CZ-CB 3.72Å; F24-V112 HydrophobicContact CZ-CG1 3.54Å; F24-V112 HydrophobicContact CZ-CG2 4.46Å; F24-V112 PolarHBondContact N-O 3.42Å; F24-V112 PolarHBondContact O-N 3.37Å; F24-L114 HydrophobicContact CE1-CB 3.91Å; F24-L114 HydrophobicContact CE1-CD2 4.36Å
25L92.3Very high82.2Confident123 Ų12392.6 Ų92.664%0.64451%0.508SS*.EExtended strand (participates in β ladder)trans-90.8121.6176.5-69167.2000110.1T109 E111L25-T109 HydrophobicContact CB-CG2 4.06Å; L25-T109 HydrophobicContact CD2-CG2 4.06Å; L25-E111 HydrophobicContact CD2-CB 4.31Å
26L92.9Very high83Confident0 Ų084.9 Ų84.90%048%0.481CS..EExtended strand (participates in β ladder)trans-98.6114.7179.9-173.459.5000110.5R30 V32 V97 T109 R110 V112L26-R30 WeakPolarHBondContact CD1-O 3.47Å; L26-V32 HydrophobicContact CD1-CB 4.1Å; L26-V32 HydrophobicContact CD1-CG2 3.73Å; L26-V97 WeakPolarHBondContact CD1-O 3.48Å; L26-V97 HydrophobicContact CD2-CB 4.37Å; L26-V97 HydrophobicContact CD2-CG1 3.73Å; L26-T109 WeakPolarHBondContact O-CA 3.36Å; L26-T109 WeakPolarHBondContact O-CG2 3.25Å; L26-R110 WeakPolarHBondContact CB-O 3.44Å; L26-R110 PolarHBondContact N-O 3.2Å; L26-R110 PolarHBondContact O-N 2.87Å; L26-V112 HydrophobicContact CB-CG2 3.8Å; L26-V112 HydrophobicContact CD2-CG2 3.81Å; L26-V112 HydrophobicContact CG-CG2 4.46Å
27Q90.8Very high84.1Confident100 Ų10088.1 Ų88.147%0.46749%0.487SS..  trans-80148.3176.4-69.1177.6-15.800111.1S29 R30Q27-S29 PolarHBondContact O-N 2.99Å; Q27-R30 HydrophobicContact CB-CB 4.31Å; Q27-R30 PolarHBondContact O-N 2.81Å
28P88.4Confident85.7Confident48 Ų4881.3 Ų81.331%0.31245%0.451SS..BIsolated β-bridgetrans-61.4135.7176.825.8-34.2000111.1R30 M56P28-R30 PolarHBondContact O-N 3.28Å; P28-M56 HydrophobicContact CB-CE 4.06Å
29S84.4Confident87.2Confident90 Ų9079.2 Ų79.263%0.62943%0.43SS*.THydrogen-bonded Turntrans63.212.5178.9-540000116Q27 S99Q27-S29 PolarHBondContact O-N 2.99Å; S29-S99 PolarHBondContact N-O 3.21Å
30R90.5Very high88.8Confident156 Ų15680.2 Ų80.259%0.58942%0.416SS*.  trans-121.3109.6173.9-173.5179.4-179.6-177.10.8110L26 Q27 P28L26-R30 WeakPolarHBondContact CD1-O 3.47Å; Q27-R30 HydrophobicContact CB-CB 4.31Å; Q27-R30 PolarHBondContact O-N 2.81Å; P28-R30 PolarHBondContact O-N 3.28Å
31P92.8Very high90.1Very high75 Ų7579.8 Ų79.849%0.48741%0.41SS..  trans-67.5144.717628.1-32.9000110.7V97P31-V97 WeakPolarHBondContact CA-O 3.26Å
32V94.7Very high91.1Very high49 Ų4979.7 Ų79.730%0.29740%0.403SS..EExtended strand (participates in β ladder)trans-112129166.8175.60000107.2F24 L26 C96 V97F24-V32 HydrophobicContact CD2-CB 4Å; F24-V32 HydrophobicContact CD2-CG1 3.74Å; F24-V32 HydrophobicContact CD2-CG2 4.2Å; F24-V32 HydrophobicContact CE2-CB 3.71Å; F24-V32 HydrophobicContact CE2-CG1 3.7Å; F24-V32 HydrophobicContact CE2-CG2 4.29Å; F24-V32 HydrophobicContact CG-CG1 4.29Å; F24-V32 HydrophobicContact CZ-CB 4.48Å; F24-V32 HydrophobicContact CZ-CG1 4.22Å; L26-V32 HydrophobicContact CD1-CB 4.1Å; L26-V32 HydrophobicContact CD1-CG2 3.73Å; V32-C96 WeakPolarHBondContact O-CA 3.22Å; V32-V97 PolarHBondContact N-O 2.94Å; V32-V97 PolarHBondContact O-N 3Å
33C95.1Very high91.5Very high48 Ų4877.9 Ų77.932%0.32440%0.396SS..EExtended strand (participates in β ladder)trans-125.4138.5-175.4-53.80000110.9E94 V95 C96C33-E94 HydrophobicContact CB-CG 3.74Å; C33-E94 WeakPolarHBondContact CB-OE1 3.41Å; C33-V95 CarbonylContact C-O 3.53Å; C33-V95 VanDerWaalsContact CA-O 3.27Å; C33-V95 WeakPolarHBondContact CA-O 3.47Å; C33-C96 HydrophobicContact CB-CB 4.1Å; C33-C96 WeakPolarHBondContact CB-SG 3.39Å; C33-C96 WeakPolarHBondContact SG-CB 3.32Å; C33-C96 CovalentContact SG-SG 2.04Å; C33-C96 PolarHBondContact SG-SG 3.01Å
34L94.5Very high91.7Very high59 Ų5972.7 Ų72.731%0.30937%0.372SS..EExtended strand (participates in β ladder)trans-111.1125.9175.1-179.963.3000108.9L22 E94 V95 L114 I116L22-L34 HydrophobicContact CD1-CD2 3.57Å; L34-E94 CarbonylContact O-C 3.57Å; L34-E94 WeakPolarHBondContact O-CA 3.43Å; L34-V95 PolarHBondContact N-O 2.88Å; L34-V95 PolarHBondContact O-N 2.97Å; L34-L114 HydrophobicContact CB-CD2 4.5Å; L34-L114 HydrophobicContact CD2-CD2 4.18Å; L34-I116 HydrophobicContact CD2-CD1 3.69Å
35K94.7Very high91.8Very high133 Ų13372.4 Ų72.458%0.57837%0.374SS*.EExtended strand (participates in β ladder)trans-105.8130.3177.8-65.5-168.5174.6-1610110.4V92 F93 E94K35-V92 HydrophobicContact CB-CG1 4.07Å; K35-F93 CarbonylContact C-O 3.49Å; K35-F93 VanDerWaalsContact CA-O 3.28Å; K35-F93 WeakPolarHBondContact CA-O 3.26Å; K35-E94 WeakPolarHBondContact CE-OE1 3.25Å; K35-E94 WeakPolarHBondContact CE-OE2 3.45Å; K35-E94 HydrophobicContact CG-CB 4.07Å; K35-E94 HydrophobicContact CG-CG 4Å; K35-E94 IonicContact NZ-OE1 2.82Å; K35-E94 IonicContact NZ-OE2 3.75Å; K35-E94 PolarHBondContact NZ-OE2 2.98Å
36E92.5Very high91.9Very high52 Ų5266.8 Ų66.824%0.24335%0.345CS..EExtended strand (participates in β ladder)trans-136.3134.3-179.2-166.4172.617600109.8I38 V92 F93 H118E36-I38 HydrophobicContact CB-CG1 4.44Å; E36-I38 HydrophobicContact CG-CD1 4.4Å; E36-I38 HydrophobicContact CG-CG1 4.06Å; E36-V92 CarbonylContact O-C 3.57Å; E36-V92 WeakPolarHBondContact O-CA 3.33Å; E36-F93 PolarHBondContact N-O 3.21Å; E36-F93 PolarHBondContact O-N 3.44Å; E36-H118 IonicContact OE1-CE1 3.97Å; E36-H118 PolarHBondContact OE1-CE1 2.79Å; E36-H118 IonicContact OE1-ND1 3.86Å; E36-H118 PolarHBondContact OE1-ND1 2.8Å
37E92.6Very high92Very high147 Ų14769.6 Ų69.669%0.68736%0.359SS*.EExtended strand (participates in β ladder)trans-90.2123175-173.3177.217800108.6V92E37-V92 HydrophobicContact CB-CG2 4.16Å; E37-V92 HydrophobicContact CG-CG2 4.22Å
38I91.3Very high92.1Very high9 Ų964.9 Ų64.95%0.04634%0.336CS..EExtended strand (participates in β ladder)trans-128.2138-174.2-53.5178.8000109E36 V42 V44 T87 M90 D91 F93E36-I38 HydrophobicContact CB-CG1 4.44Å; E36-I38 HydrophobicContact CG-CD1 4.4Å; E36-I38 HydrophobicContact CG-CG1 4.06Å; I38-V42 HydrophobicContact CG2-CB 3.74Å; I38-V42 HydrophobicContact CG2-CG1 3.77Å; I38-V42 HydrophobicContact CG2-CG2 4.32Å; I38-V44 HydrophobicContact CD1-CG1 4.21Å; I38-V44 HydrophobicContact CD1-CG2 3.49Å; I38-V44 VanDerWaalsContact CD1-CG2 3.49Å; I38-V44 HydrophobicContact CG2-CG2 4.15Å; I38-T87 HydrophobicContact CB-CG2 4.13Å; I38-T87 HydrophobicContact CG2-CG2 3.76Å; I38-M90 WeakPolarHBondContact O-CA 3.23Å; I38-D91 PolarHBondContact N-O 3.49Å; I38-D91 PolarHBondContact O-N 3.35Å; I38-D91 VanDerWaalsContact O-N 3.12Å; I38-F93 HydrophobicContact CB-CD2 3.98Å; I38-F93 HydrophobicContact CB-CE2 4Å; I38-F93 HydrophobicContact CD1-CD2 3.95Å; I38-F93 HydrophobicContact CG1-CD2 4.08Å
39H89.4Confident92.4Very high70 Ų7064.7 Ų64.732%0.32434%0.335SS..  trans-68.5166.8178.5-63.895.6000112.1V42 T87 F157H39-V42 HydrophobicContact CB-CG2 4.03Å; H39-V42 WeakPolarHBondContact O-CG2 3.47Å; H39-T87 WeakPolarHBondContact O-CB 3.39Å; H39-T87 PolarHBondContact O-OG1 3.09Å; H39-F157 AromaticContact NE2-CD1 3.93Å; H39-F157 AromaticContact NE2-CD2 3.89Å; H39-F157 AromaticContact NE2-CE1 3.68Å; H39-F157 AromaticContact NE2-CE2 3.65Å; H39-F157 AromaticContact NE2-CZ 3.51Å
40K89.4Confident92.9Very high115 Ų11560.8 Ų60.850%0.531%0.307SS..THydrogen-bonded Turntrans-66.5144.9178.2171165.1-178159.50112V42 D88 M90K40-V42 VanDerWaalsContact C-N 3.29Å; K40-V42 PolarHBondContact O-N 3.43Å; K40-D88 VanDerWaalsContact CD-O 3.24Å; K40-D88 WeakPolarHBondContact CD-O 3.29Å; K40-D88 WeakPolarHBondContact CE-O 3.37Å; K40-D88 VanDerWaalsContact CG-O 3.3Å; K40-D88 WeakPolarHBondContact CG-O 3.35Å; K40-D88 PolarHBondContact NZ-O 3.16Å; K40-M90 HydrophobicContact CB-CG 4.05Å
41N88.8Confident93Very high115 Ų11555.4 Ų55.462%0.61529%0.293SS*.THydrogen-bonded Turntrans61.930.7176.5-58.6-25.9000114.2T87N41-T87 WeakPolarHBondContact CA-O 3.5Å; N41-T87 PolarHBondContact N-O 3.5Å; N41-T87 PolarHBondContact N-OG1 3.21Å
42V91.1Very high92.8Very high29 Ų2960 Ų6018%0.17631%0.308CS..  trans-101.9129.4179.2178.20000108.9I38 H39 K40 T86 T87 H118I38-V42 HydrophobicContact CG2-CB 3.74Å; I38-V42 HydrophobicContact CG2-CG1 3.77Å; I38-V42 HydrophobicContact CG2-CG2 4.32Å; H39-V42 HydrophobicContact CB-CG2 4.03Å; H39-V42 WeakPolarHBondContact O-CG2 3.47Å; K40-V42 VanDerWaalsContact C-N 3.29Å; K40-V42 PolarHBondContact O-N 3.43Å; V42-T86 WeakPolarHBondContact O-CA 3.5Å; V42-T87 PolarHBondContact N-OG1 2.98Å; V42-T87 PolarHBondContact O-N 2.89Å; V42-T87 PolarHBondContact O-OG1 3.28Å; V42-H118 HydrophobicContact CG1-CB 3.98Å
43V92.8Very high92.4Very high60 Ų6058.5 Ų58.536%0.36430%0.3SS..EExtended strand (participates in β ladder)trans-77.9132.8172.5179.50000108.5T45 T86 H118 G119 A122V43-T45 HydrophobicContact CG1-CG2 4.41Å; V43-T86 HydrophobicContact CG2-CG2 4.35Å; V43-H118 CarbonylContact O-C 3.51Å; V43-H118 WeakPolarHBondContact O-CA 3.27Å; V43-G119 PolarHBondContact O-N 2.91Å; V43-A122 HydrophobicContact CB-CB 4.45Å; V43-A122 HydrophobicContact CG1-CB 4.24Å; V43-A122 VanDerWaalsContact O-CB 3.27Å; V43-A122 WeakPolarHBondContact O-CB 3.06Å
44V94.6Very high91.9Very high2 Ų262 Ų621%0.01232%0.323CS..EExtended strand (participates in β ladder)trans-120.4127.5177.8-174.40000108.2I38 A84 F85 T87 I116 K117 H118I38-V44 HydrophobicContact CD1-CG1 4.21Å; I38-V44 HydrophobicContact CD1-CG2 3.49Å; I38-V44 VanDerWaalsContact CD1-CG2 3.49Å; I38-V44 HydrophobicContact CG2-CG2 4.15Å; V44-A84 CarbonylContact O-C 3.58Å; V44-A84 VanDerWaalsContact O-CA 3.22Å; V44-A84 WeakPolarHBondContact O-CA 3.35Å; V44-F85 HydrophobicContact CB-CD1 4.21Å; V44-F85 HydrophobicContact CB-CD2 4.27Å; V44-F85 HydrophobicContact CB-CE1 3.78Å; V44-F85 HydrophobicContact CB-CE2 3.86Å; V44-F85 HydrophobicContact CB-CG 4.44Å; V44-F85 HydrophobicContact CB-CZ 3.61Å; V44-F85 HydrophobicContact CG1-CE1 3.7Å; V44-F85 HydrophobicContact CG1-CE2 4.38Å; V44-F85 HydrophobicContact CG1-CZ 3.64Å; V44-F85 HydrophobicContact CG2-CD2 4.4Å; V44-F85 HydrophobicContact CG2-CE2 3.8Å; V44-F85 HydrophobicContact CG2-CZ 3.88Å; V44-F85 PolarHBondContact N-O 3.27Å; V44-F85 PolarHBondContact O-N 3.03Å; V44-T87 HydrophobicContact CG2-CG2 4.18Å; V44-I116 HydrophobicContact CG1-CG2 3.87Å; V44-K117 CarbonylContact C-O 3.58Å; V44-K117 WeakPolarHBondContact CA-O 3.33Å; V44-H118 HydrophobicContact CG2-CB 4.29Å
45T94.4Very high91.5Very high41 Ų4160.1 Ų60.125%0.25232%0.318SS..EExtended strand (participates in β ladder)trans-121.4142.7172.458.10000109.2V43 F83 A84 K117 A122V43-T45 HydrophobicContact CG1-CG2 4.41Å; T45-F83 WeakPolarHBondContact CA-O 3.35Å; T45-A84 HydrophobicContact CG2-CB 3.95Å; T45-K117 PolarHBondContact N-O 2.97Å; T45-K117 PolarHBondContact O-N 3.37Å; T45-K117 VanDerWaalsContact O-O 3.11Å; T45-A122 HydrophobicContact CG2-CB 4.09Å
46G93.9Very high91.3Very high4 Ų453.9 Ų53.94%0.04129%0.29CS..EExtended strand (participates in β ladder)trans-136.9142.8176.300000111.7K82 F83 E115G46-K82 CarbonylContact O-C 3.5Å; G46-K82 WeakPolarHBondContact O-CA 3.33Å; G46-F83 PolarHBondContact N-O 2.95Å; G46-F83 PolarHBondContact O-N 3.08Å; G46-E115 CarbonylContact C-O 3.43Å; G46-E115 WeakPolarHBondContact CA-O 2.98Å
47Q94.7Very high91.3Very high60 Ų6056.1 Ų56.128%0.2830%0.297SS..EExtended strand (participates in β ladder)trans-122.6132.7172.8-178.9166.8-1300108.8G81 K82 E115Q47-G81 WeakPolarHBondContact CA-O 3.44Å; Q47-K82 HydrophobicContact CB-CG 4.28Å; Q47-K82 HydrophobicContact CG-CG 4.18Å; Q47-K82 VanDerWaalsContact OE1-CE 3.27Å; Q47-E115 PolarHBondContact N-O 3.13Å; Q47-E115 PolarHBondContact O-N 2.94Å
48Y94.1Very high91.3Very high0 Ų049.1 Ų49.10%026%0.264CS..EExtended strand (participates in β ladder)trans-119.5138.8174.155-96.5000109.8L50 V60 R73 F76 E80 G81 F83 S113Y48-L50 HydrophobicContact CD2-CD1 3.48Å; Y48-L50 VanDerWaalsContact CD2-CD1 3.48Å; Y48-L50 HydrophobicContact CE2-CD1 4.09Å; Y48-L50 HydrophobicContact CG-CD1 4.44Å; Y48-V60 HydrophobicContact CD1-CG1 4.26Å; Y48-V60 HydrophobicContact CD1-CG2 4.12Å; Y48-V60 HydrophobicContact CD2-CG2 4.35Å; Y48-V60 HydrophobicContact CE1-CB 4.31Å; Y48-V60 HydrophobicContact CE1-CG1 4.14Å; Y48-V60 HydrophobicContact CE1-CG2 4Å; Y48-V60 HydrophobicContact CE2-CG2 4.23Å; Y48-V60 HydrophobicContact CG-CG2 4.28Å; Y48-R73 VanDerWaalsContact OH-CD 3.25Å; Y48-R73 WeakPolarHBondContact OH-CD 2.99Å; Y48-R73 PolarHBondContact OH-NH1 2.85Å; Y48-R73 VanDerWaalsContact OH-NH1 3.1Å; Y48-F76 HydrophobicContact CD2-CZ 4.38Å; Y48-F76 AromaticContact CE2-CE2 3.76Å; Y48-F76 HydrophobicContact CE2-CE2 3.76Å; Y48-F76 AromaticContact CE2-CZ 3.56Å; Y48-F76 HydrophobicContact CE2-CZ 3.56Å; Y48-F76 AromaticContact CZ-CZ 3.98Å; Y48-E80 WeakPolarHBondContact O-CA 3.33Å; Y48-G81 VanDerWaalsContact CE2-N 3.31Å; Y48-G81 VanDerWaalsContact CZ-CA 3.43Å; Y48-G81 PolarHBondContact N-O 2.97Å; Y48-G81 PolarHBondContact O-N 3.06Å; Y48-G81 VanDerWaalsContact O-N 3.12Å; Y48-F83 HydrophobicContact CD1-CD1 4.05Å; Y48-F83 HydrophobicContact CD1-CE1 4.21Å; Y48-F83 HydrophobicContact CE1-CD1 4.17Å; Y48-S113 CarbonylContact C-O 3.56Å; Y48-S113 WeakPolarHBondContact CA-O 3.08Å
49T94.8Very high91.5Very high45 Ų4549 Ų4928%0.27626%0.264SS..EExtended strand (participates in β ladder)trans-126133.4167.270.80000108.9T79 E80 V112 S113T49-T79 CarbonylContact C-O 3.57Å; T49-T79 VanDerWaalsContact CA-O 3.3Å; T49-T79 WeakPolarHBondContact CA-O 3.38Å; T49-E80 HydrophobicContact CG2-CG 3.95Å; T49-V112 CarbonylContact O-C 3.59Å; T49-V112 WeakPolarHBondContact O-CA 3.48Å; T49-S113 PolarHBondContact N-O 2.81Å; T49-S113 PolarHBondContact O-N 3.43Å; T49-S113 VanDerWaalsContact OG1-CB 3.24Å; T49-S113 WeakPolarHBondContact OG1-CB 3.27Å
50L93.6Very high91.8Very high7 Ų745.6 Ų45.64%0.03725%0.248CC..EExtended strand (participates in β ladder)trans-119134.8-178.7-62.294.2000108.8Y48 S58 F76 T79 V97 E111 V112Y48-L50 HydrophobicContact CD2-CD1 3.48Å; Y48-L50 VanDerWaalsContact CD2-CD1 3.48Å; Y48-L50 HydrophobicContact CE2-CD1 4.09Å; Y48-L50 HydrophobicContact CG-CD1 4.44Å; L50-S58 WeakPolarHBondContact CD2-OG 3.3Å; L50-F76 HydrophobicContact CD1-CE2 4.31Å; L50-F76 HydrophobicContact CD1-CZ 4.43Å; L50-T79 WeakPolarHBondContact CD1-O 3.23Å; L50-T79 PolarHBondContact N-O 2.73Å; L50-T79 WeakPolarHBondContact O-CB 3.34Å; L50-T79 VanDerWaalsContact O-CG2 3.26Å; L50-T79 WeakPolarHBondContact O-CG2 3.39Å; L50-V97 HydrophobicContact CD2-CG1 4.25Å; L50-E111 CarbonylContact C-O 3.54Å; L50-E111 WeakPolarHBondContact CA-O 3.45Å; L50-V112 HydrophobicContact CD2-CG2 4.01Å; L50-V112 HydrophobicContact CG-CG1 4.41Å; L50-V112 HydrophobicContact CG-CG2 4.02Å
51S92.8Very high92.2Very high44 Ų4441.9 Ų41.931%0.30824%0.235SC..  trans-57.6143.2173.771.40000110.9A53 R110 E111S51-A53 PolarHBondContact O-N 3.48Å; S51-R110 PolarHBondContact O-NE 2.82Å; S51-R110 PolarHBondContact O-NH2 2.9Å; S51-R110 WeakPolarHBondContact OG-CA 3.33Å; S51-E111 PolarHBondContact N-O 3.33Å; S51-E111 PolarHBondContact OG-N 2.71Å
52E89.8Confident92.6Very high172 Ų17236.4 Ų36.480%0.80421%0.206SC*.  trans-59.7131.8176.1-69.5-174.817500111.3T79E52-T79 HydrophobicContact CG-CG2 3.78Å
53A86.4Confident92.8Very high16 Ų1635.9 Ų35.913%0.13220%0.203CC..  trans-144.9105.3174.700000109.5S51 G55 M56 R110S51-A53 PolarHBondContact O-N 3.48Å; A53-G55 PolarHBondContact O-N 3.32Å; A53-M56 HydrophobicContact CB-CB 3.97Å; A53-M56 HydrophobicContact CB-CG 3.63Å; A53-M56 WeakPolarHBondContact O-CB 3.3Å; A53-M56 PolarHBondContact O-N 3.15Å; A53-R110 HydrophobicContact CB-CG 3.64Å
54P84.7Confident92.9Very high122 Ų12233.8 Ų33.879%0.79219%0.19SC*.THydrogen-bonded Turntrans-57.4133-177.9-23.532.4000111.7M56P54-M56 PolarHBondContact O-N 2.88Å
55G85.6Confident92.9Very high20 Ų2036.9 Ų36.921%0.20621%0.211CC..THydrogen-bonded Turntrans72.910.9178.300000115.2A53 Q102A53-G55 PolarHBondContact O-N 3.32Å; G55-Q102 VanDerWaalsContact O-CB 3.22Å; G55-Q102 WeakPolarHBondContact O-CB 3.37Å; G55-Q102 VanDerWaalsContact O-CG 3.23Å; G55-Q102 WeakPolarHBondContact O-CG 3.21Å; G55-Q102 PolarHBondContact O-N 3.08Å
56M89.8Confident92.8Very high1 Ų140.2 Ų40.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-100.1139.8170.2-59.7-62.7-65.100110.2P28 A53 P54 S99 A101 A108P28-M56 HydrophobicContact CB-CE 4.06Å; A53-M56 HydrophobicContact CB-CB 3.97Å; A53-M56 HydrophobicContact CB-CG 3.63Å; A53-M56 WeakPolarHBondContact O-CB 3.3Å; A53-M56 PolarHBondContact O-N 3.15Å; P54-M56 PolarHBondContact O-N 2.88Å; M56-S99 VanDerWaalsContact CE-OG 3.26Å; M56-S99 WeakPolarHBondContact CE-OG 3.21Å; M56-A101 HydrophobicContact CE-CB 4.3Å; M56-A101 HydrophobicContact SD-CB 3.83Å; M56-A108 HydrophobicContact CG-CB 4.36Å; M56-A108 HydrophobicContact SD-CB 4.47Å; M56-A108 PolarHBondContact SD-N 2.81Å
57R92.2Very high92.8Very high99 Ų9945.8 Ų45.837%0.37425%0.251SS..EExtended strand (participates in β ladder)trans-110.4149.2167.3-73.2-179.1175.2163.52.4109.3F76 H77 S99 H100 Q102R57-F76 WeakPolarHBondContact CA-O 2.86Å; R57-H77 VanDerWaalsContact CG-CE1 3.46Å; R57-H77 WeakPolarHBondContact CG-CE1 3.3Å; R57-H77 PolarHBondContact NE-NE2 3.07Å; R57-S99 CarbonylContact O-C 3.58Å; R57-S99 WeakPolarHBondContact O-CA 3.5Å; R57-S99 PolarHBondContact O-OG 2.88Å; R57-H100 PolarHBondContact N-O 2.93Å; R57-H100 PolarHBondContact O-N 2.85Å; R57-Q102 HydrophobicContact CG-CG 4.18Å; R57-Q102 VanDerWaalsContact NE-NE2 3.12Å
58S93.7Very high92.7Very high0 Ų048.2 Ų48.20%026%0.262CS..EExtended strand (participates in β ladder)trans-120.9157177.9-62.90000111.1L50 N75 F76 S98L50-S58 WeakPolarHBondContact CD2-OG 3.3Å; S58-N75 WeakPolarHBondContact O-CA 3.48Å; S58-N75 PolarHBondContact O-N 3.43Å; S58-F76 PolarHBondContact N-O 2.76Å; S58-F76 WeakPolarHBondContact O-CD1 3.24Å; S58-F76 WeakPolarHBondContact O-CE1 3.37Å; S58-F76 PolarHBondContact O-N 2.69Å; S58-S98 CarbonylContact C-O 3.59Å; S58-S98 WeakPolarHBondContact CA-O 3.44Å; S58-S98 WeakPolarHBondContact CB-O 3.27Å
59S95.1Very high92.8Very high6 Ų653 Ų534%0.04229%0.287CS..EExtended strand (participates in β ladder)trans-134.9139.3173.6-550000109.2R73 E74 N75 V97 S98S59-R73 CarbonylContact C-O 3.58Å; S59-R73 VanDerWaalsContact CA-O 3.25Å; S59-R73 WeakPolarHBondContact CA-O 3.44Å; S59-E74 WeakPolarHBondContact OG-CA 3.34Å; S59-N75 PolarHBondContact OG-N 3.1Å; S59-N75 VanDerWaalsContact OG-N 3.08Å; S59-V97 WeakPolarHBondContact O-CA 3.36Å; S59-S98 WeakPolarHBondContact CB-OG 3.29Å; S59-S98 PolarHBondContact N-O 3.32Å; S59-S98 PolarHBondContact O-N 2.94Å
60V96.3Very high92.8Very high0 Ų054 Ų540%029%0.29CS..EExtended strand (participates in β ladder)trans-125.8124.2177.5177.10000107.3Y48 F71 R73 F76 C96 V97Y48-V60 HydrophobicContact CD1-CG1 4.26Å; Y48-V60 HydrophobicContact CD1-CG2 4.12Å; Y48-V60 HydrophobicContact CD2-CG2 4.35Å; Y48-V60 HydrophobicContact CE1-CB 4.31Å; Y48-V60 HydrophobicContact CE1-CG1 4.14Å; Y48-V60 HydrophobicContact CE1-CG2 4Å; Y48-V60 HydrophobicContact CE2-CG2 4.23Å; Y48-V60 HydrophobicContact CG-CG2 4.28Å; V60-F71 HydrophobicContact CG1-CD1 4.43Å; V60-F71 HydrophobicContact CG1-CE1 4.32Å; V60-R73 PolarHBondContact N-O 2.82Å; V60-R73 PolarHBondContact O-N 3.2Å; V60-F76 HydrophobicContact CB-CE1 4.27Å; V60-F76 HydrophobicContact CG2-CE1 3.81Å; V60-F76 HydrophobicContact CG2-CZ 3.72Å; V60-C96 VanDerWaalsContact CA-O 3.32Å; V60-C96 WeakPolarHBondContact CA-O 3.25Å; V60-V97 HydrophobicContact CG2-CG1 4.16Å; V60-V97 HydrophobicContact CG2-CG2 4.27Å
61V96.8Very high92.9Very high36 Ų3656.1 Ų56.122%0.21830%0.299CS..EExtended strand (participates in β ladder)trans-131.6132.2-179.9-171.20000108.2T63 F71 K72 C96V61-T63 HydrophobicContact CG1-CG2 4.1Å; V61-F71 WeakPolarHBondContact CA-O 3.34Å; V61-K72 HydrophobicContact CG2-CG 4.36Å; V61-C96 PolarHBondContact N-O 3.33Å; V61-C96 PolarHBondContact O-N 3.16Å
62V96.8Very high93.1Very high0 Ų058.8 Ų58.80%031%0.305CS..EExtended strand (participates in β ladder)trans-116.1125.5175.6-173.90000108.5L70 F71 F83 F85 E94 V95V62-L70 HydrophobicContact CB-CB 4.45Å; V62-L70 HydrophobicContact CG1-CB 4.25Å; V62-L70 HydrophobicContact CG1-CD1 4.36Å; V62-L70 PolarHBondContact O-N 2.87Å; V62-F71 HydrophobicContact CB-CB 3.97Å; V62-F71 HydrophobicContact CG2-CB 3.92Å; V62-F71 HydrophobicContact CG2-CD1 4.24Å; V62-F71 PolarHBondContact N-O 2.88Å; V62-F71 PolarHBondContact O-N 3.36Å; V62-F83 HydrophobicContact CG2-CD2 4.04Å; V62-F83 HydrophobicContact CG2-CE2 4.03Å; V62-F83 HydrophobicContact CG2-CG 4.33Å; V62-F83 HydrophobicContact CG2-CZ 4.31Å; V62-F85 HydrophobicContact CG1-CD1 4.3Å; V62-F85 HydrophobicContact CG1-CE1 3.72Å; V62-F85 HydrophobicContact CG1-CZ 4.11Å; V62-E94 CarbonylContact C-O 3.49Å; V62-E94 VanDerWaalsContact CA-O 3.27Å; V62-E94 WeakPolarHBondContact CA-O 3.46Å; V62-V95 HydrophobicContact CG1-CG2 4.12Å; V62-V95 HydrophobicContact CG2-CG1 4.24Å; V62-V95 HydrophobicContact CG2-CG2 4.06Å
63T96.4Very high93.4Very high19 Ų1954.2 Ų54.212%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-129.1155.4-179.450.60000112.7V61 H68 I69 F93 E94V61-T63 HydrophobicContact CG1-CG2 4.1Å; T63-H68 CarbonylContact C-O 3.57Å; T63-H68 WeakPolarHBondContact CA-O 3.39Å; T63-H68 WeakPolarHBondContact CB-O 3.46Å; T63-I69 HydrophobicContact CG2-CG1 4.34Å; T63-F93 CarbonylContact O-C 3.58Å; T63-F93 VanDerWaalsContact O-CA 3.28Å; T63-F93 WeakPolarHBondContact O-CA 3.34Å; T63-E94 PolarHBondContact N-O 3.28Å; T63-E94 PolarHBondContact O-N 2.94Å
64D94.8Very high93.8Very high16 Ų1658.4 Ų58.49%0.08630%0.297CS..  trans-86-178168.475.10.9000111.8K66 N67 H68 L70 V92 F93D64-K66 PolarHBondContact O-N 2.89Å; D64-K66 VanDerWaalsContact OD1-CA 3.29Å; D64-K66 WeakPolarHBondContact OD1-CA 3.45Å; D64-K66 WeakPolarHBondContact OD1-CB 3.49Å; D64-K66 PolarHBondContact OD1-N 2.95Å; D64-N67 PolarHBondContact O-N 3.02Å; D64-N67 VanDerWaalsContact O-N 3.1Å; D64-N67 PolarHBondContact OD1-N 2.88Å; D64-H68 PolarHBondContact N-O 2.86Å; D64-H68 WeakPolarHBondContact OD1-CB 3.22Å; D64-H68 IonicContact OD1-CG 2.88Å; D64-H68 PolarHBondContact OD1-N 2.75Å; D64-H68 IonicContact OD1-ND1 3.96Å; D64-H68 WeakPolarHBondContact OD2-CB 3.22Å; D64-H68 IonicContact OD2-CE1 3.41Å; D64-H68 IonicContact OD2-CG 2.96Å; D64-H68 IonicContact OD2-ND1 2.97Å; D64-H68 PolarHBondContact OD2-ND1 3.37Å; D64-L70 HydrophobicContact CB-CD1 4.49Å; D64-V92 CarbonylContact C-O 3.41Å; D64-F93 HydrophobicContact CB-CD1 3.81Å; D64-F93 HydrophobicContact CB-CE1 3.67Å
65S93.8Very high94.1Very high66 Ų6656.7 Ų56.746%0.46228%0.281SS..THydrogen-bonded Turntrans-69.3-20179.271.60000113.4N67 D91 V92S65-N67 VanDerWaalsContact C-N 3.27Å; S65-D91 WeakPolarHBondContact CB-OD1 3.42Å; S65-D91 PolarHBondContact N-OD2 2.83Å; S65-D91 PolarHBondContact OG-OD1 3.33Å; S65-D91 PolarHBondContact OG-OD2 3.07Å; S65-D91 VanDerWaalsContact OG-OD2 3.06Å; S65-V92 PolarHBondContact N-O 3.02Å
66K93.2Very high94.4Very high111 Ų11156.3 Ų56.348%0.48327%0.274SS..THydrogen-bonded Turntrans-861.6175.9-59.4169.3-171.2160.60111.7D64 H68 E89D64-K66 PolarHBondContact O-N 2.89Å; D64-K66 VanDerWaalsContact OD1-CA 3.29Å; D64-K66 WeakPolarHBondContact OD1-CA 3.45Å; D64-K66 WeakPolarHBondContact OD1-CB 3.49Å; D64-K66 PolarHBondContact OD1-N 2.95Å; K66-H68 VanDerWaalsContact C-N 3.27Å; K66-H68 PolarHBondContact O-N 2.92Å; K66-E89 IonicContact NZ-OE2 2.86Å; K66-E89 PolarHBondContact NZ-OE2 3.2Å
67N92.7Very high94.5Very high122 Ų12260.7 Ų60.765%0.65229%0.294SS*.  trans63.922.2-174.7-51.1-75.6000114.7D64 S65D64-N67 PolarHBondContact O-N 3.02Å; D64-N67 VanDerWaalsContact O-N 3.1Å; D64-N67 PolarHBondContact OD1-N 2.88Å; S65-N67 VanDerWaalsContact C-N 3.27Å
68H94.4Very high94.5Very high110 Ų11060.7 Ų60.751%0.50930%0.298SS..  trans-71.1139.5166.9-55.7144000110.2T63 D64 K66 L70T63-H68 CarbonylContact C-O 3.57Å; T63-H68 WeakPolarHBondContact CA-O 3.39Å; T63-H68 WeakPolarHBondContact CB-O 3.46Å; D64-H68 PolarHBondContact N-O 2.86Å; D64-H68 WeakPolarHBondContact OD1-CB 3.22Å; D64-H68 IonicContact OD1-CG 2.88Å; D64-H68 PolarHBondContact OD1-N 2.75Å; D64-H68 IonicContact OD1-ND1 3.96Å; D64-H68 WeakPolarHBondContact OD2-CB 3.22Å; D64-H68 IonicContact OD2-CE1 3.41Å; D64-H68 IonicContact OD2-CG 2.96Å; D64-H68 IonicContact OD2-ND1 2.97Å; D64-H68 PolarHBondContact OD2-ND1 3.37Å; K66-H68 VanDerWaalsContact C-N 3.27Å; K66-H68 PolarHBondContact O-N 2.92Å; H68-L70 PolarHBondContact O-N 3.22Å
69I95.4Very high94.4Very high101 Ų10162.7 Ų62.752%0.51831%0.311SS..EExtended strand (participates in β ladder)trans-87114.2-176.5-57.8170.7000108.8T63 K72T63-I69 HydrophobicContact CG2-CG1 4.34Å; I69-K72 HydrophobicContact CD1-CD 4.15Å; I69-K72 HydrophobicContact CG2-CB 3.58Å; I69-K72 HydrophobicContact CG2-CD 4.27Å; I69-K72 HydrophobicContact CG2-CG 4.49Å
70L94.7Very high94.4Very high65 Ų6568 Ų6834%0.3434%0.335SS..EExtended strand (participates in β ladder)trans-89.4-35.5176.4-57.6178.4000111.8V62 D64 H68 F85 F93V62-L70 HydrophobicContact CB-CB 4.45Å; V62-L70 HydrophobicContact CG1-CB 4.25Å; V62-L70 HydrophobicContact CG1-CD1 4.36Å; V62-L70 PolarHBondContact O-N 2.87Å; D64-L70 HydrophobicContact CB-CD1 4.49Å; H68-L70 PolarHBondContact O-N 3.22Å; L70-F85 HydrophobicContact CB-CB 4.46Å; L70-F85 HydrophobicContact CB-CG 4.35Å; L70-F85 HydrophobicContact CD1-CD2 3.69Å; L70-F85 HydrophobicContact CD1-CE2 3.73Å; L70-F85 HydrophobicContact CD1-CG 4.18Å; L70-F85 HydrophobicContact CD1-CZ 4.26Å; L70-F93 HydrophobicContact CD1-CD1 3.23Å; L70-F93 HydrophobicContact CD1-CE1 3.45Å; L70-F93 VanDerWaalsContact CD1-CE1 3.45Å; L70-F93 HydrophobicContact CD1-CG 4.29Å
71F96.4Very high94.3Very high52 Ų5268.5 Ų68.523%0.22834%0.341CS..EExtended strand (participates in β ladder)trans-147.9141.2174.8178.2-93.7000109.9V60 V61 V62 R73 F83V60-F71 HydrophobicContact CG1-CD1 4.43Å; V60-F71 HydrophobicContact CG1-CE1 4.32Å; V61-F71 WeakPolarHBondContact CA-O 3.34Å; V62-F71 HydrophobicContact CB-CB 3.97Å; V62-F71 HydrophobicContact CG2-CB 3.92Å; V62-F71 HydrophobicContact CG2-CD1 4.24Å; V62-F71 PolarHBondContact N-O 2.88Å; V62-F71 PolarHBondContact O-N 3.36Å; F71-R73 HydrophobicContact CE1-CB 3.84Å; F71-R73 HydrophobicContact CZ-CB 3.99Å; F71-F83 HydrophobicContact CB-CB 4.24Å; F71-F83 HydrophobicContact CD1-CB 3.7Å; F71-F83 HydrophobicContact CD1-CG 4.3Å; F71-F83 HydrophobicContact CD2-CB 3.68Å; F71-F83 HydrophobicContact CE1-CB 3.89Å; F71-F83 HydrophobicContact CE2-CB 3.86Å; F71-F83 HydrophobicContact CG-CB 3.59Å; F71-F83 HydrophobicContact CG-CG 4.45Å; F71-F83 HydrophobicContact CZ-CB 3.95Å
72K96.4Very high94.2Very high101 Ų10173.8 Ų73.844%0.43936%0.361SS..EExtended strand (participates in β ladder)trans-147.8123.2179.4-178.6169.2-178.7-178.60111.1V61 I69 E74V61-K72 HydrophobicContact CG2-CG 4.36Å; I69-K72 HydrophobicContact CD1-CD 4.15Å; I69-K72 HydrophobicContact CG2-CB 3.58Å; I69-K72 HydrophobicContact CG2-CD 4.27Å; I69-K72 HydrophobicContact CG2-CG 4.49Å; K72-E74 WeakPolarHBondContact CE-OE1 3.32Å; K72-E74 WeakPolarHBondContact CE-OE2 3.47Å; K72-E74 HydrophobicContact CG-CG 4.2Å; K72-E74 VanDerWaalsContact NZ-CD 3.26Å; K72-E74 IonicContact NZ-OE1 3.86Å; K72-E74 PolarHBondContact NZ-OE1 3Å; K72-E74 IonicContact NZ-OE2 3.5Å; K72-E74 PolarHBondContact NZ-OE2 3.12Å; K72-E74 VanDerWaalsContact NZ-OE2 3.11Å
73R95.9Very high94.1Very high75 Ų7574.1 Ų74.128%0.28336%0.362SS..EExtended strand (participates in β ladder)trans-136.1116.8171.7-167.6-174.1179.6167.1-0.8108.8Y48 S59 V60 F71 F76 E78Y48-R73 VanDerWaalsContact OH-CD 3.25Å; Y48-R73 WeakPolarHBondContact OH-CD 2.99Å; Y48-R73 PolarHBondContact OH-NH1 2.85Å; Y48-R73 VanDerWaalsContact OH-NH1 3.1Å; S59-R73 CarbonylContact C-O 3.58Å; S59-R73 VanDerWaalsContact CA-O 3.25Å; S59-R73 WeakPolarHBondContact CA-O 3.44Å; V60-R73 PolarHBondContact N-O 2.82Å; V60-R73 PolarHBondContact O-N 3.2Å; F71-R73 HydrophobicContact CE1-CB 3.84Å; F71-R73 HydrophobicContact CZ-CB 3.99Å; R73-F76 HydrophobicContact CB-CD1 4.19Å; R73-F76 HydrophobicContact CB-CE1 4.31Å; R73-F76 HydrophobicContact CG-CB 4.4Å; R73-F76 HydrophobicContact CG-CD1 3.59Å; R73-F76 HydrophobicContact CG-CE1 4.11Å; R73-F76 HydrophobicContact CG-CG 4.19Å; R73-E78 IonicContact CZ-OE2 3.67Å; R73-E78 IonicContact NH2-OE1 2.79Å; R73-E78 IonicContact NH2-OE2 3.11Å; R73-E78 PolarHBondContact NH2-OE2 3.09Å
74E94.2Very high94Very high104 Ų10476.4 Ų76.449%0.48638%0.383SS..EExtended strand (participates in β ladder)trans-115.2150.7-175.3-70.8179.7142.500112.2S59 K72 F76S59-E74 WeakPolarHBondContact OG-CA 3.34Å; K72-E74 WeakPolarHBondContact CE-OE1 3.32Å; K72-E74 WeakPolarHBondContact CE-OE2 3.47Å; K72-E74 HydrophobicContact CG-CG 4.2Å; K72-E74 VanDerWaalsContact NZ-CD 3.26Å; K72-E74 IonicContact NZ-OE1 3.86Å; K72-E74 PolarHBondContact NZ-OE1 3Å; K72-E74 IonicContact NZ-OE2 3.5Å; K72-E74 PolarHBondContact NZ-OE2 3.12Å; K72-E74 VanDerWaalsContact NZ-OE2 3.11Å; E74-F76 VanDerWaalsContact C-N 3.27Å; E74-F76 PolarHBondContact O-N 2.82Å
75N90.6Very high93.9Very high86 Ų8676.7 Ų76.746%0.4638%0.383SS..EExtended strand (participates in β ladder)trans55.336.2167.4-67.6-51.9000115.1S58 S59S58-N75 WeakPolarHBondContact O-CA 3.48Å; S58-N75 PolarHBondContact O-N 3.43Å; S59-N75 PolarHBondContact OG-N 3.1Å; S59-N75 VanDerWaalsContact OG-N 3.08Å
76F93.5Very high93.9Very high12 Ų1277.2 Ų77.25%0.05338%0.384CS..EExtended strand (participates in β ladder)trans-93.6157.1-176.570.3-96.7000111.9Y48 L50 R57 S58 V60 R73 E74 E78Y48-F76 HydrophobicContact CD2-CZ 4.38Å; Y48-F76 AromaticContact CE2-CE2 3.76Å; Y48-F76 HydrophobicContact CE2-CE2 3.76Å; Y48-F76 AromaticContact CE2-CZ 3.56Å; Y48-F76 HydrophobicContact CE2-CZ 3.56Å; Y48-F76 AromaticContact CZ-CZ 3.98Å; L50-F76 HydrophobicContact CD1-CE2 4.31Å; L50-F76 HydrophobicContact CD1-CZ 4.43Å; R57-F76 WeakPolarHBondContact CA-O 2.86Å; S58-F76 PolarHBondContact N-O 2.76Å; S58-F76 WeakPolarHBondContact O-CD1 3.24Å; S58-F76 WeakPolarHBondContact O-CE1 3.37Å; S58-F76 PolarHBondContact O-N 2.69Å; V60-F76 HydrophobicContact CB-CE1 4.27Å; V60-F76 HydrophobicContact CG2-CE1 3.81Å; V60-F76 HydrophobicContact CG2-CZ 3.72Å; R73-F76 HydrophobicContact CB-CD1 4.19Å; R73-F76 HydrophobicContact CB-CE1 4.31Å; R73-F76 HydrophobicContact CG-CB 4.4Å; R73-F76 HydrophobicContact CG-CD1 3.59Å; R73-F76 HydrophobicContact CG-CE1 4.11Å; R73-F76 HydrophobicContact CG-CG 4.19Å; E74-F76 VanDerWaalsContact C-N 3.27Å; E74-F76 PolarHBondContact O-N 2.82Å; F76-E78 WeakPolarHBondContact CB-OE2 3.36Å; F76-E78 HydrophobicContact CD2-CB 4.34Å; F76-E78 VanDerWaalsContact CD2-O 3.3Å; F76-E78 WeakPolarHBondContact CD2-O 3.2Å; F76-E78 WeakPolarHBondContact CE2-O 3.2Å
77H90.5Very high93.8Very high93 Ų9372 Ų7243%0.43136%0.362SS..  trans-104.3-22.9-176.8-82-68.9000113R57 Q102R57-H77 VanDerWaalsContact CG-CE1 3.46Å; R57-H77 WeakPolarHBondContact CG-CE1 3.3Å; R57-H77 PolarHBondContact NE-NE2 3.07Å; H77-Q102 PolarHBondContact CE1-NE2 2.94Å; H77-Q102 PolarHBondContact NE2-NE2 2.92Å
78E92.2Very high93.7Very high99 Ų9972.3 Ų72.346%0.46336%0.363SS..  trans-59.2141.9-179.4-59.978.9-171.500110.5R73 F76 E80R73-E78 IonicContact CZ-OE2 3.67Å; R73-E78 IonicContact NH2-OE1 2.79Å; R73-E78 IonicContact NH2-OE2 3.11Å; R73-E78 PolarHBondContact NH2-OE2 3.09Å; F76-E78 WeakPolarHBondContact CB-OE2 3.36Å; F76-E78 HydrophobicContact CD2-CB 4.34Å; F76-E78 VanDerWaalsContact CD2-O 3.3Å; F76-E78 WeakPolarHBondContact CD2-O 3.2Å; F76-E78 WeakPolarHBondContact CE2-O 3.2Å; E78-E80 VanDerWaalsContact C-N 3.32Å
79T92.2Very high93.5Very high43 Ų4372.2 Ų72.226%0.26436%0.363SS..SBendtrans-79.7-19.1176.345.90000111.8T49 L50 E52T49-T79 CarbonylContact C-O 3.57Å; T49-T79 VanDerWaalsContact CA-O 3.3Å; T49-T79 WeakPolarHBondContact CA-O 3.38Å; L50-T79 WeakPolarHBondContact CD1-O 3.23Å; L50-T79 PolarHBondContact N-O 2.73Å; L50-T79 WeakPolarHBondContact O-CB 3.34Å; L50-T79 VanDerWaalsContact O-CG2 3.26Å; L50-T79 WeakPolarHBondContact O-CG2 3.39Å; E52-T79 HydrophobicContact CG-CG2 3.78Å
80E94.3Very high93.3Very high116 Ų11673.5 Ų73.554%0.54237%0.368SS..EExtended strand (participates in β ladder)trans-130.4152.5-172.7-57.2-171.9168.400112.2Y48 T49 E78Y48-E80 WeakPolarHBondContact O-CA 3.33Å; T49-E80 HydrophobicContact CG2-CG 3.95Å; E78-E80 VanDerWaalsContact C-N 3.32Å
81G94.7Very high93.2Very high12 Ų1271.5 Ų71.512%0.12436%0.358CS..EExtended strand (participates in β ladder)trans-173.9172.3169.700000112.8Q47 Y48Q47-G81 WeakPolarHBondContact CA-O 3.44Å; Y48-G81 VanDerWaalsContact CE2-N 3.31Å; Y48-G81 VanDerWaalsContact CZ-CA 3.43Å; Y48-G81 PolarHBondContact N-O 2.97Å; Y48-G81 PolarHBondContact O-N 3.06Å; Y48-G81 VanDerWaalsContact O-N 3.12Å
82K94.8Very high93.1Very high146 Ų14671.6 Ų71.664%0.63536%0.363SS*.EExtended strand (participates in β ladder)trans-133152.1-178.9-58.8-174.6-178.7-168.20110G46 Q47G46-K82 CarbonylContact O-C 3.5Å; G46-K82 WeakPolarHBondContact O-CA 3.33Å; Q47-K82 HydrophobicContact CB-CG 4.28Å; Q47-K82 HydrophobicContact CG-CG 4.18Å; Q47-K82 VanDerWaalsContact OE1-CE 3.27Å
83F94.7Very high93Very high7 Ų767.4 Ų67.43%0.03134%0.344CS..EExtended strand (participates in β ladder)trans-137.5154.3170.260.3-92.9000109.4T45 G46 Y48 V62 F71 F85 V95 L114T45-F83 WeakPolarHBondContact CA-O 3.35Å; G46-F83 PolarHBondContact N-O 2.95Å; G46-F83 PolarHBondContact O-N 3.08Å; Y48-F83 HydrophobicContact CD1-CD1 4.05Å; Y48-F83 HydrophobicContact CD1-CE1 4.21Å; Y48-F83 HydrophobicContact CE1-CD1 4.17Å; V62-F83 HydrophobicContact CG2-CD2 4.04Å; V62-F83 HydrophobicContact CG2-CE2 4.03Å; V62-F83 HydrophobicContact CG2-CG 4.33Å; V62-F83 HydrophobicContact CG2-CZ 4.31Å; F71-F83 HydrophobicContact CB-CB 4.24Å; F71-F83 HydrophobicContact CD1-CB 3.7Å; F71-F83 HydrophobicContact CD1-CG 4.3Å; F71-F83 HydrophobicContact CD2-CB 3.68Å; F71-F83 HydrophobicContact CE1-CB 3.89Å; F71-F83 HydrophobicContact CE2-CB 3.86Å; F71-F83 HydrophobicContact CG-CB 3.59Å; F71-F83 HydrophobicContact CG-CG 4.45Å; F71-F83 HydrophobicContact CZ-CB 3.95Å; F83-F85 HydrophobicContact CD2-CD1 4.22Å; F83-F85 HydrophobicContact CD2-CE1 4.19Å; F83-F85 HydrophobicContact CE2-CE1 4.07Å; F83-V95 HydrophobicContact CE1-CG1 4.16Å; F83-V95 HydrophobicContact CE2-CG2 4.22Å; F83-V95 HydrophobicContact CZ-CG1 3.89Å; F83-V95 HydrophobicContact CZ-CG2 3.92Å; F83-L114 HydrophobicContact CE1-CD1 4.29Å
84A94.2Very high93Very high67 Ų6765.6 Ų65.655%0.55434%0.339SS*.EExtended strand (participates in β ladder)trans-147.6142.2175.800000109.5V44 T45V44-A84 CarbonylContact O-C 3.58Å; V44-A84 VanDerWaalsContact O-CA 3.22Å; V44-A84 WeakPolarHBondContact O-CA 3.35Å; T45-A84 HydrophobicContact CG2-CB 3.95Å
85F93.8Very high93.1Very high22 Ų2261 Ų6110%0.09632%0.319CS..EExtended strand (participates in β ladder)trans-153167.2173.863.2-87000109.7V44 V62 L70 F83 T87 F93V44-F85 HydrophobicContact CB-CD1 4.21Å; V44-F85 HydrophobicContact CB-CD2 4.27Å; V44-F85 HydrophobicContact CB-CE1 3.78Å; V44-F85 HydrophobicContact CB-CE2 3.86Å; V44-F85 HydrophobicContact CB-CG 4.44Å; V44-F85 HydrophobicContact CB-CZ 3.61Å; V44-F85 HydrophobicContact CG1-CE1 3.7Å; V44-F85 HydrophobicContact CG1-CE2 4.38Å; V44-F85 HydrophobicContact CG1-CZ 3.64Å; V44-F85 HydrophobicContact CG2-CD2 4.4Å; V44-F85 HydrophobicContact CG2-CE2 3.8Å; V44-F85 HydrophobicContact CG2-CZ 3.88Å; V44-F85 PolarHBondContact N-O 3.27Å; V44-F85 PolarHBondContact O-N 3.03Å; V62-F85 HydrophobicContact CG1-CD1 4.3Å; V62-F85 HydrophobicContact CG1-CE1 3.72Å; V62-F85 HydrophobicContact CG1-CZ 4.11Å; L70-F85 HydrophobicContact CB-CB 4.46Å; L70-F85 HydrophobicContact CB-CG 4.35Å; L70-F85 HydrophobicContact CD1-CD2 3.69Å; L70-F85 HydrophobicContact CD1-CE2 3.73Å; L70-F85 HydrophobicContact CD1-CG 4.18Å; L70-F85 HydrophobicContact CD1-CZ 4.26Å; F83-F85 HydrophobicContact CD2-CD1 4.22Å; F83-F85 HydrophobicContact CD2-CE1 4.19Å; F83-F85 HydrophobicContact CE2-CE1 4.07Å; F85-T87 HydrophobicContact CE2-CG2 4.14Å; F85-F93 HydrophobicContact CE2-CD1 4.04Å; F85-F93 HydrophobicContact CE2-CD2 4.26Å; F85-F93 HydrophobicContact CE2-CE1 4.31Å; F85-F93 AromaticContact CE2-CG 3.99Å; F85-F93 HydrophobicContact CE2-CG 3.99Å; F85-F93 HydrophobicContact CZ-CB 4.27Å; F85-F93 HydrophobicContact CZ-CD1 4.49Å; F85-F93 HydrophobicContact CZ-CG 4.18Å
86T93Very high93.4Very high78 Ų7858.2 Ų58.248%0.47931%0.305SS..EExtended strand (participates in β ladder)trans-121.4140.7175.2-53.10000108.5V42 V43V42-T86 WeakPolarHBondContact O-CA 3.5Å; V43-T86 HydrophobicContact CG2-CG2 4.35Å
87T91.6Very high93.5Very high1 Ų157.6 Ų57.61%0.00630%0.302CS..  trans-83.3130.4-179.861.40000111.3I38 H39 N41 V42 V44 F85 F93I38-T87 HydrophobicContact CB-CG2 4.13Å; I38-T87 HydrophobicContact CG2-CG2 3.76Å; H39-T87 WeakPolarHBondContact O-CB 3.39Å; H39-T87 PolarHBondContact O-OG1 3.09Å; N41-T87 WeakPolarHBondContact CA-O 3.5Å; N41-T87 PolarHBondContact N-O 3.5Å; N41-T87 PolarHBondContact N-OG1 3.21Å; V42-T87 PolarHBondContact N-OG1 2.98Å; V42-T87 PolarHBondContact O-N 2.89Å; V42-T87 PolarHBondContact O-OG1 3.28Å; V44-T87 HydrophobicContact CG2-CG2 4.18Å; F85-T87 HydrophobicContact CE2-CG2 4.14Å; T87-F93 HydrophobicContact CG2-CD2 4.09Å; T87-F93 HydrophobicContact CG2-CE2 3.24Å; T87-F93 HydrophobicContact CG2-CZ 3.5Å
88D90Very high93.6Very high128 Ų12854 Ų5468%0.68429%0.287SS*.SBendtrans-87.5-29.4178-69.2-29.5000112.8K40K40-D88 VanDerWaalsContact CD-O 3.24Å; K40-D88 WeakPolarHBondContact CD-O 3.29Å; K40-D88 WeakPolarHBondContact CE-O 3.37Å; K40-D88 VanDerWaalsContact CG-O 3.3Å; K40-D88 WeakPolarHBondContact CG-O 3.35Å; K40-D88 PolarHBondContact NZ-O 3.16Å
89E91.4Very high93.7Very high108 Ų10849.2 Ų49.251%0.50527%0.265SS..SBendtrans-138.2163.2-177.4-62.1-175.715500109K66 D91K66-E89 IonicContact NZ-OE2 2.86Å; K66-E89 PolarHBondContact NZ-OE2 3.2Å; E89-D91 PolarHBondContact O-N 3.35Å
90M91.2Very high93.7Very high129 Ų12950.5 Ų50.564%0.63527%0.268SS*.SBendtrans-68.7116.2169.3-60.1-172.7-64.100107.5I38 K40I38-M90 WeakPolarHBondContact O-CA 3.23Å; K40-M90 HydrophobicContact CB-CG 4.05Å
91D92.4Very high93.5Very high23 Ų2346.9 Ų46.912%0.12326%0.258CS..EExtended strand (participates in β ladder)trans-152.5164.3-173.8-155.34.7000112.2I38 S65 E89 F93I38-D91 PolarHBondContact N-O 3.49Å; I38-D91 PolarHBondContact O-N 3.35Å; I38-D91 VanDerWaalsContact O-N 3.12Å; S65-D91 WeakPolarHBondContact CB-OD1 3.42Å; S65-D91 PolarHBondContact N-OD2 2.83Å; S65-D91 PolarHBondContact OG-OD1 3.33Å; S65-D91 PolarHBondContact OG-OD2 3.07Å; S65-D91 VanDerWaalsContact OG-OD2 3.06Å; E89-D91 PolarHBondContact O-N 3.35Å; D91-F93 HydrophobicContact CB-CE1 4.31Å; D91-F93 HydrophobicContact CB-CE2 4.02Å; D91-F93 HydrophobicContact CB-CZ 3.76Å; D91-F93 WeakPolarHBondContact O-CE2 3.35Å
92V94.6Very high93.1Very high54 Ų5449.1 Ų49.133%0.32727%0.265SS..EExtended strand (participates in β ladder)trans-95.4119.7173.4-178.50000109.1K35 E36 E37 D64 S65K35-V92 HydrophobicContact CB-CG1 4.07Å; E36-V92 CarbonylContact O-C 3.57Å; E36-V92 WeakPolarHBondContact O-CA 3.33Å; E37-V92 HydrophobicContact CB-CG2 4.16Å; E37-V92 HydrophobicContact CG-CG2 4.22Å; D64-V92 CarbonylContact C-O 3.41Å; S65-V92 PolarHBondContact N-O 3.02Å
93F94Very high92.4Very high12 Ų1251.8 Ų51.85%0.05328%0.279CS..EExtended strand (participates in β ladder)trans-102.5147.6176.4-56.5-77.9000110.6K35 E36 I38 T63 D64 L70 F85 T87 D91K35-F93 CarbonylContact C-O 3.49Å; K35-F93 VanDerWaalsContact CA-O 3.28Å; K35-F93 WeakPolarHBondContact CA-O 3.26Å; E36-F93 PolarHBondContact N-O 3.21Å; E36-F93 PolarHBondContact O-N 3.44Å; I38-F93 HydrophobicContact CB-CD2 3.98Å; I38-F93 HydrophobicContact CB-CE2 4Å; I38-F93 HydrophobicContact CD1-CD2 3.95Å; I38-F93 HydrophobicContact CG1-CD2 4.08Å; T63-F93 CarbonylContact O-C 3.58Å; T63-F93 VanDerWaalsContact O-CA 3.28Å; T63-F93 WeakPolarHBondContact O-CA 3.34Å; D64-F93 HydrophobicContact CB-CD1 3.81Å; D64-F93 HydrophobicContact CB-CE1 3.67Å; L70-F93 HydrophobicContact CD1-CD1 3.23Å; L70-F93 HydrophobicContact CD1-CE1 3.45Å; L70-F93 VanDerWaalsContact CD1-CE1 3.45Å; L70-F93 HydrophobicContact CD1-CG 4.29Å; F85-F93 HydrophobicContact CE2-CD1 4.04Å; F85-F93 HydrophobicContact CE2-CD2 4.26Å; F85-F93 HydrophobicContact CE2-CE1 4.31Å; F85-F93 AromaticContact CE2-CG 3.99Å; F85-F93 HydrophobicContact CE2-CG 3.99Å; F85-F93 HydrophobicContact CZ-CB 4.27Å; F85-F93 HydrophobicContact CZ-CD1 4.49Å; F85-F93 HydrophobicContact CZ-CG 4.18Å; T87-F93 HydrophobicContact CG2-CD2 4.09Å; T87-F93 HydrophobicContact CG2-CE2 3.24Å; T87-F93 HydrophobicContact CG2-CZ 3.5Å; D91-F93 HydrophobicContact CB-CE1 4.31Å; D91-F93 HydrophobicContact CB-CE2 4.02Å; D91-F93 HydrophobicContact CB-CZ 3.76Å; D91-F93 WeakPolarHBondContact O-CE2 3.35Å
94E95.7Very high91.7Very high38 Ų3855.7 Ų55.718%0.17832%0.322CS..EExtended strand (participates in β ladder)trans-123.1119.2-178.7-179168.1-148.700110.1C33 L34 K35 V62 T63C33-E94 HydrophobicContact CB-CG 3.74Å; C33-E94 WeakPolarHBondContact CB-OE1 3.41Å; L34-E94 CarbonylContact O-C 3.57Å; L34-E94 WeakPolarHBondContact O-CA 3.43Å; K35-E94 WeakPolarHBondContact CE-OE1 3.25Å; K35-E94 WeakPolarHBondContact CE-OE2 3.45Å; K35-E94 HydrophobicContact CG-CB 4.07Å; K35-E94 HydrophobicContact CG-CG 4Å; K35-E94 IonicContact NZ-OE1 2.82Å; K35-E94 IonicContact NZ-OE2 3.75Å; K35-E94 PolarHBondContact NZ-OE2 2.98Å; V62-E94 CarbonylContact C-O 3.49Å; V62-E94 VanDerWaalsContact CA-O 3.27Å; V62-E94 WeakPolarHBondContact CA-O 3.46Å; T63-E94 PolarHBondContact N-O 3.28Å; T63-E94 PolarHBondContact O-N 2.94Å
95V95.8Very high91.2Very high8 Ų855.3 Ų55.35%0.04831%0.313CS..EExtended strand (participates in β ladder)trans-101.3108.6172.8-178.10000108.6C33 L34 V62 F83 L114 I116C33-V95 CarbonylContact C-O 3.53Å; C33-V95 VanDerWaalsContact CA-O 3.27Å; C33-V95 WeakPolarHBondContact CA-O 3.47Å; L34-V95 PolarHBondContact N-O 2.88Å; L34-V95 PolarHBondContact O-N 2.97Å; V62-V95 HydrophobicContact CG1-CG2 4.12Å; V62-V95 HydrophobicContact CG2-CG1 4.24Å; V62-V95 HydrophobicContact CG2-CG2 4.06Å; F83-V95 HydrophobicContact CE1-CG1 4.16Å; F83-V95 HydrophobicContact CE2-CG2 4.22Å; F83-V95 HydrophobicContact CZ-CG1 3.89Å; F83-V95 HydrophobicContact CZ-CG2 3.92Å; V95-L114 HydrophobicContact CG1-CD1 4.32Å; V95-L114 HydrophobicContact CG1-CD2 4.07Å; V95-I116 HydrophobicContact CB-CD1 4.33Å; V95-I116 HydrophobicContact CG2-CD1 3.84Å
96C95.9Very high90.6Very high26 Ų2665.4 Ų65.418%0.17635%0.35CS..EExtended strand (participates in β ladder)trans-103.7130.1178.5-71.50000111.6V32 C33 V60 V61V32-C96 WeakPolarHBondContact O-CA 3.22Å; C33-C96 HydrophobicContact CB-CB 4.1Å; C33-C96 WeakPolarHBondContact CB-SG 3.39Å; C33-C96 WeakPolarHBondContact SG-CB 3.32Å; C33-C96 CovalentContact SG-SG 2.04Å; C33-C96 PolarHBondContact SG-SG 3.01Å; V60-C96 VanDerWaalsContact CA-O 3.32Å; V60-C96 WeakPolarHBondContact CA-O 3.25Å; V61-C96 PolarHBondContact N-O 3.33Å; V61-C96 PolarHBondContact O-N 3.16Å
97V95.8Very high90.2Very high0 Ų063.3 Ų63.30%034%0.344CS..EExtended strand (participates in β ladder)trans-115.5128.5171-168.90000109.1F24 L26 P31 V32 L50 S59 V60 V112F24-V97 HydrophobicContact CZ-CB 4.42Å; F24-V97 HydrophobicContact CZ-CG2 4.25Å; L26-V97 WeakPolarHBondContact CD1-O 3.48Å; L26-V97 HydrophobicContact CD2-CB 4.37Å; L26-V97 HydrophobicContact CD2-CG1 3.73Å; P31-V97 WeakPolarHBondContact CA-O 3.26Å; V32-V97 PolarHBondContact N-O 2.94Å; V32-V97 PolarHBondContact O-N 3Å; L50-V97 HydrophobicContact CD2-CG1 4.25Å; S59-V97 WeakPolarHBondContact O-CA 3.36Å; V60-V97 HydrophobicContact CG2-CG1 4.16Å; V60-V97 HydrophobicContact CG2-CG2 4.27Å; V97-V112 HydrophobicContact CG1-CG1 4.4Å; V97-V112 HydrophobicContact CG1-CG2 4.4Å
98S94.4Very high89.9Confident16 Ų1665.1 Ų65.111%0.11236%0.359CS..EExtended strand (participates in β ladder)trans-126.5152.2175.471.40000111.4S58 S59 H100S58-S98 CarbonylContact C-O 3.59Å; S58-S98 WeakPolarHBondContact CA-O 3.44Å; S58-S98 WeakPolarHBondContact CB-O 3.27Å; S59-S98 WeakPolarHBondContact CB-OG 3.29Å; S59-S98 PolarHBondContact N-O 3.32Å; S59-S98 PolarHBondContact O-N 2.94Å; S98-H100 PolarHBondContact OG-NE2 2.86Å
99S93.3Very high89.9Confident0 Ų062.8 Ų62.80%035%0.349CS..EExtended strand (participates in β ladder)trans-126.8132.9173.3-164.30000110.4S29 M56 R57 R110S29-S99 PolarHBondContact N-O 3.21Å; M56-S99 VanDerWaalsContact CE-OG 3.26Å; M56-S99 WeakPolarHBondContact CE-OG 3.21Å; R57-S99 CarbonylContact O-C 3.58Å; R57-S99 WeakPolarHBondContact O-CA 3.5Å; R57-S99 PolarHBondContact O-OG 2.88Å; S99-R110 WeakPolarHBondContact OG-CD 3.45Å
100H92Very high89.8Confident70 Ų7057.8 Ų57.832%0.32433%0.326SS..EExtended strand (participates in β ladder)trans-122.2128.9-175.7-58.1-79.6000109.3R57 S98R57-H100 PolarHBondContact N-O 2.93Å; R57-H100 PolarHBondContact O-N 2.85Å; S98-H100 PolarHBondContact OG-NE2 2.86Å
101A89.6Confident89.9Confident40 Ų4056.4 Ų56.433%0.33132%0.318SS..EExtended strand (participates in β ladder)trans-72.7137.2173.100000110.2M56M56-A101 HydrophobicContact CE-CB 4.3Å; M56-A101 HydrophobicContact SD-CB 3.83Å
102Q86.3Confident90Very high59 Ų5955.3 Ų55.328%0.27631%0.312SS..PPolyproline II helixtrans-67.7156.2169.3-71.4-174.5-23.500111.2G55 R57 H77 G104 V105G55-Q102 VanDerWaalsContact O-CB 3.22Å; G55-Q102 WeakPolarHBondContact O-CB 3.37Å; G55-Q102 VanDerWaalsContact O-CG 3.23Å; G55-Q102 WeakPolarHBondContact O-CG 3.21Å; G55-Q102 PolarHBondContact O-N 3.08Å; R57-Q102 HydrophobicContact CG-CG 4.18Å; R57-Q102 VanDerWaalsContact NE-NE2 3.12Å; H77-Q102 PolarHBondContact CE1-NE2 2.94Å; H77-Q102 PolarHBondContact NE2-NE2 2.92Å; Q102-G104 PolarHBondContact O-N 2.86Å; Q102-V105 HydrophobicContact CB-CG2 4.25Å; Q102-V105 PolarHBondContact O-N 2.79Å
103H81.5Confident90Very high201 Ų20153.8 Ų53.893%0.93130%0.304SS*.THydrogen-bonded Turntrans-54.4124.2177.3-67.983.8000110.6
104G79.4Confident90Very high90 Ų9053.3 Ų53.393%0.92830%0.302SS*.THydrogen-bonded Turntrans87-2.6179.700000115.6Q102Q102-G104 PolarHBondContact O-N 2.86Å
105V82.9Confident89.9Confident59 Ų5954.6 Ų54.636%0.35831%0.308SS..SBendtrans-103.3135.7177.9-175.60000109.9Q102 G107Q102-V105 HydrophobicContact CB-CG2 4.25Å; Q102-V105 PolarHBondContact O-N 2.79Å; V105-G107 PolarHBondContact O-N 2.86Å
106R82.8Confident89.7Confident234 Ų23455.9 Ų55.988%0.88331%0.314SS*.PPolyproline II helixtrans-69.5127.5171.9-174.2176.3-179.5173.30.2108.7A108R106-A108 PolarHBondContact O-N 2.9Å
107G82.9Confident89.6Confident33 Ų3358.5 Ų58.534%0.3432%0.322SS..PPolyproline II helixtrans-56131.317700000111.9V105V105-G107 PolarHBondContact O-N 2.86Å
108A86.5Confident89.4Confident40 Ų4062.6 Ų62.633%0.33134%0.341SS..  trans-110.9144.217500000110M56 R106M56-A108 HydrophobicContact CG-CB 4.36Å; M56-A108 HydrophobicContact SD-CB 4.47Å; M56-A108 PolarHBondContact SD-N 2.81Å; R106-A108 PolarHBondContact O-N 2.9Å
109T88.7Confident89.1Confident78 Ų7862.9 Ų62.948%0.47935%0.347SS..  trans-70.3136.7168.8-57.20000108.8L25 L26L25-T109 HydrophobicContact CB-CG2 4.06Å; L25-T109 HydrophobicContact CD2-CG2 4.06Å; L26-T109 WeakPolarHBondContact O-CA 3.36Å; L26-T109 WeakPolarHBondContact O-CG2 3.25Å
110R90.8Very high88.8Confident4 Ų464.1 Ų64.12%0.01535%0.354CS..EExtended strand (participates in β ladder)trans-113.3144.9174.7-61.5-172.575.4157.3-2.3110L26 S51 A53 S99L26-R110 WeakPolarHBondContact CB-O 3.44Å; L26-R110 PolarHBondContact N-O 3.2Å; L26-R110 PolarHBondContact O-N 2.87Å; S51-R110 PolarHBondContact O-NE 2.82Å; S51-R110 PolarHBondContact O-NH2 2.9Å; S51-R110 WeakPolarHBondContact OG-CA 3.33Å; A53-R110 HydrophobicContact CB-CG 3.64Å; S99-R110 WeakPolarHBondContact OG-CD 3.45Å
111E92.8Very high88.6Confident100 Ų10065.5 Ų65.547%0.46736%0.364SS..EExtended strand (participates in β ladder)trans-86.9137.4166.3-173.9175.3-170.400108.8H23 L25 L50 S51H23-E111 IonicContact ND1-OE1 2.69Å; L25-E111 HydrophobicContact CD2-CB 4.31Å; L50-E111 CarbonylContact C-O 3.54Å; L50-E111 WeakPolarHBondContact CA-O 3.45Å; S51-E111 PolarHBondContact N-O 3.33Å; S51-E111 PolarHBondContact OG-N 2.71Å
112V94.1Very high88.6Confident0 Ų064.1 Ų64.10%035%0.353CS..EExtended strand (participates in β ladder)trans-125.6125.3178.8-178.40000108.3H23 F24 L26 T49 L50 V97H23-V112 CarbonylContact C-O 3.52Å; H23-V112 WeakPolarHBondContact CA-O 3.07Å; F24-V112 HydrophobicContact CD2-CB 4.12Å; F24-V112 HydrophobicContact CE1-CB 4.2Å; F24-V112 HydrophobicContact CE1-CG1 4Å; F24-V112 HydrophobicContact CE2-CB 3.67Å; F24-V112 HydrophobicContact CE2-CG1 3.99Å; F24-V112 HydrophobicContact CE2-CG2 4.07Å; F24-V112 HydrophobicContact CZ-CB 3.72Å; F24-V112 HydrophobicContact CZ-CG1 3.54Å; F24-V112 HydrophobicContact CZ-CG2 4.46Å; F24-V112 PolarHBondContact N-O 3.42Å; F24-V112 PolarHBondContact O-N 3.37Å; L26-V112 HydrophobicContact CB-CG2 3.8Å; L26-V112 HydrophobicContact CD2-CG2 3.81Å; L26-V112 HydrophobicContact CG-CG2 4.46Å; T49-V112 CarbonylContact O-C 3.59Å; T49-V112 WeakPolarHBondContact O-CA 3.48Å; L50-V112 HydrophobicContact CD2-CG2 4.01Å; L50-V112 HydrophobicContact CG-CG1 4.41Å; L50-V112 HydrophobicContact CG-CG2 4.02Å; V97-V112 HydrophobicContact CG1-CG1 4.4Å; V97-V112 HydrophobicContact CG1-CG2 4.4Å
113S94.3Very high88.6Confident21 Ų2165.4 Ų65.415%0.14736%0.357CS..EExtended strand (participates in β ladder)trans-97.9124164-169.80000108.2L22 H23 Y48 T49L22-S113 WeakPolarHBondContact O-CA 2.97Å; H23-S113 VanDerWaalsContact CE1-CB 3.48Å; H23-S113 WeakPolarHBondContact CE1-CB 3.05Å; H23-S113 PolarHBondContact CE1-OG 3.22Å; H23-S113 PolarHBondContact NE2-OG 3.23Å; Y48-S113 CarbonylContact C-O 3.56Å; Y48-S113 WeakPolarHBondContact CA-O 3.08Å; T49-S113 PolarHBondContact N-O 2.81Å; T49-S113 PolarHBondContact O-N 3.43Å; T49-S113 VanDerWaalsContact OG1-CB 3.24Å; T49-S113 WeakPolarHBondContact OG1-CB 3.27Å
114L93.8Very high88.9Confident3 Ų359.1 Ų59.12%0.01633%0.331CS..EExtended strand (participates in β ladder)trans-120121175.8-176.564.6000108.9L22 F24 L34 F83 V95 I116L22-L114 PolarHBondContact N-O 3.38Å; L22-L114 PolarHBondContact O-N 2.69Å; F24-L114 HydrophobicContact CE1-CB 3.91Å; F24-L114 HydrophobicContact CE1-CD2 4.36Å; L34-L114 HydrophobicContact CB-CD2 4.5Å; L34-L114 HydrophobicContact CD2-CD2 4.18Å; F83-L114 HydrophobicContact CE1-CD1 4.29Å; V95-L114 HydrophobicContact CG1-CD1 4.32Å; V95-L114 HydrophobicContact CG1-CD2 4.07Å; L114-I116 HydrophobicContact CD1-CG1 4.31Å; L114-I116 HydrophobicContact CD2-CD1 4.04Å; L114-I116 HydrophobicContact CD2-CG1 4.33Å; L114-I116 HydrophobicContact CG-CD1 4.27Å; L114-I116 HydrophobicContact CG-CG1 4Å
115E93.4Very high89.3Confident64 Ų6455.9 Ų55.930%0.29929%0.29SS..EExtended strand (participates in β ladder)trans-113.8117.9174.1-172.9-178.2-178.200107.7G46 Q47 K117G46-E115 CarbonylContact C-O 3.43Å; G46-E115 WeakPolarHBondContact CA-O 2.98Å; Q47-E115 PolarHBondContact N-O 3.13Å; Q47-E115 PolarHBondContact O-N 2.94Å; E115-K117 WeakPolarHBondContact OE1-CE 2.91Å; E115-K117 IonicContact OE1-NZ 2.95Å; E115-K117 PolarHBondContact OE1-NZ 2.97Å
116I93.1Very high89.5Confident35 Ų3559.4 Ų59.418%0.17930%0.303CS..EExtended strand (participates in β ladder)trans-116.6132.6175.9-55.4-178000107.4L34 V44 V95 L114L34-I116 HydrophobicContact CD2-CD1 3.69Å; V44-I116 HydrophobicContact CG1-CG2 3.87Å; V95-I116 HydrophobicContact CB-CD1 4.33Å; V95-I116 HydrophobicContact CG2-CD1 3.84Å; L114-I116 HydrophobicContact CD1-CG1 4.31Å; L114-I116 HydrophobicContact CD2-CD1 4.04Å; L114-I116 HydrophobicContact CD2-CG1 4.33Å; L114-I116 HydrophobicContact CG-CD1 4.27Å; L114-I116 HydrophobicContact CG-CG1 4Å
117K92.6Very high89.7Confident81 Ų8154.3 Ų54.335%0.35229%0.289SS..EExtended strand (participates in β ladder)trans-124.7142.5175.1-66.3179.5177.2156.50108.8V44 T45 E115 D121 A122V44-K117 CarbonylContact C-O 3.58Å; V44-K117 WeakPolarHBondContact CA-O 3.33Å; T45-K117 PolarHBondContact N-O 2.97Å; T45-K117 PolarHBondContact O-N 3.37Å; T45-K117 VanDerWaalsContact O-O 3.11Å; E115-K117 WeakPolarHBondContact OE1-CE 2.91Å; E115-K117 IonicContact OE1-NZ 2.95Å; E115-K117 PolarHBondContact OE1-NZ 2.97Å; K117-D121 HydrophobicContact CB-CB 4.16Å; K117-D121 HydrophobicContact CD-CB 4.41Å; K117-D121 WeakPolarHBondContact CD-O 3.28Å; K117-D121 HydrophobicContact CG-CB 4.36Å; K117-A122 HydrophobicContact CB-CB 4.26Å
118H91.9Very high89.9Confident86 Ų8655 Ų5540%0.39829%0.285SS..EExtended strand (participates in β ladder)trans-131.5154.1176.952-112.3000110.3E36 V42 V43 V44 V120 D121E36-H118 IonicContact OE1-CE1 3.97Å; E36-H118 PolarHBondContact OE1-CE1 2.79Å; E36-H118 IonicContact OE1-ND1 3.86Å; E36-H118 PolarHBondContact OE1-ND1 2.8Å; V42-H118 HydrophobicContact CG1-CB 3.98Å; V43-H118 CarbonylContact O-C 3.51Å; V43-H118 WeakPolarHBondContact O-CA 3.27Å; V44-H118 HydrophobicContact CG2-CB 4.29Å; H118-V120 PolarHBondContact O-N 3.3Å; H118-D121 PolarHBondContact O-N 3.03Å
119G88.4Confident90Very high22 Ų2254 Ų5423%0.22728%0.276CS..G310 helixtrans65.3-126.6173.200000113V43 D121 A122V43-G119 PolarHBondContact O-N 2.91Å; G119-D121 VanDerWaalsContact C-N 3.31Å; G119-D121 PolarHBondContact O-N 3.49Å; G119-A122 PolarHBondContact O-N 2.88Å
120V87.5Confident90Very high26 Ų2657.3 Ų57.316%0.15828%0.284CS..G310 helixtrans-60.1-41.3-177.6179.70000111.1H118 A122 K123 Y125 D146 L147H118-V120 PolarHBondContact O-N 3.3Å; V120-A122 PolarHBondContact O-N 2.04Å; V120-K123 WeakPolarHBondContact O-CB 3.48Å; V120-K123 PolarHBondContact O-N 3.4Å; V120-Y125 VanDerWaalsContact CG1-OH 3.29Å; V120-Y125 WeakPolarHBondContact CG1-OH 3.22Å; V120-D146 HydrophobicContact CG1-CB 3.95Å; V120-D146 HydrophobicContact CG2-CB 4.3Å; V120-D146 WeakPolarHBondContact CG2-O 3.33Å; V120-L147 HydrophobicContact CG1-CB 4.25Å
121D87.3Confident90Very high99 Ų9960.9 Ų60.953%0.52931%0.314SS..G310 helixtrans-70.4-22.5-179.1-72.1-26.1000112.9K117 H118 G119 K123K117-D121 HydrophobicContact CB-CB 4.16Å; K117-D121 HydrophobicContact CD-CB 4.41Å; K117-D121 WeakPolarHBondContact CD-O 3.28Å; K117-D121 HydrophobicContact CG-CB 4.36Å; H118-D121 PolarHBondContact O-N 3.03Å; G119-D121 VanDerWaalsContact C-N 3.31Å; G119-D121 PolarHBondContact O-N 3.49Å; D121-K123 VanDerWaalsContact C-N 3.32Å
122A89.6Confident89.9Confident11 Ų1161.5 Ų61.59%0.09132%0.317CS..G310 helixtrans-79.1-14.7177.200000113.3V43 T45 K117 G119 V120V43-A122 HydrophobicContact CB-CB 4.45Å; V43-A122 HydrophobicContact CG1-CB 4.24Å; V43-A122 VanDerWaalsContact O-CB 3.27Å; V43-A122 WeakPolarHBondContact O-CB 3.06Å; T45-A122 HydrophobicContact CG2-CB 4.09Å; K117-A122 HydrophobicContact CB-CB 4.26Å; G119-A122 PolarHBondContact O-N 2.88Å; V120-A122 PolarHBondContact O-N 2.04Å
123K87.1Confident89.6Confident86 Ų8669.4 Ų69.437%0.37435%0.354SS..SBendtrans-76.2132.6-178-65-173.3-172.9177.70111.4V120 D121 Y125 I128 D146V120-K123 WeakPolarHBondContact O-CB 3.48Å; V120-K123 PolarHBondContact O-N 3.4Å; D121-K123 VanDerWaalsContact C-N 3.32Å; K123-Y125 HydrophobicContact CB-CD2 4.46Å; K123-Y125 HydrophobicContact CB-CE2 4Å; K123-Y125 WeakPolarHBondContact O-CD2 3.31Å; K123-Y125 PolarHBondContact O-N 3.11Å; K123-I128 HydrophobicContact CB-CD1 4.32Å; K123-D146 VanDerWaalsContact NZ-CG 3.32Å; K123-D146 IonicContact NZ-OD1 3.78Å; K123-D146 PolarHBondContact NZ-OD1 3.4Å; K123-D146 IonicContact NZ-OD2 3.06Å; K123-D146 PolarHBondContact NZ-OD2 2.87Å
124D88.1Confident89.1Confident70 Ų7070.5 Ų70.537%0.37436%0.358SS..  trans-85.890.1172.8-171.1-21.9000110.3E126 Q127 I128D124-E126 PolarHBondContact O-N 2.93Å; D124-E126 WeakPolarHBondContact OD1-CB 3.29Å; D124-E126 PolarHBondContact OD1-N 2.82Å; D124-Q127 HydrophobicContact CB-CB 4.19Å; D124-Q127 HydrophobicContact CB-CG 4.32Å; D124-Q127 PolarHBondContact O-N 2.95Å; D124-Q127 PolarHBondContact OD1-N 2.93Å; D124-Q127 VanDerWaalsContact OD1-N 3.09Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.28Å; D124-Q127 PolarHBondContact OD2-NE2 2.85Å; D124-I128 WeakPolarHBondContact O-CG1 3.34Å; D124-I128 PolarHBondContact O-N 2.88Å; D124-I128 VanDerWaalsContact O-N 3.09Å
125Y87.6Confident88.9Confident21 Ų2176.4 Ų76.48%0.08239%0.387CS..Hα-helixtrans-61.8-25.5178.3-72.7-80.1000113.3V120 K123 A129 R143 D146V120-Y125 VanDerWaalsContact CG1-OH 3.29Å; V120-Y125 WeakPolarHBondContact CG1-OH 3.22Å; K123-Y125 HydrophobicContact CB-CD2 4.46Å; K123-Y125 HydrophobicContact CB-CE2 4Å; K123-Y125 WeakPolarHBondContact O-CD2 3.31Å; K123-Y125 PolarHBondContact O-N 3.11Å; Y125-A129 VanDerWaalsContact O-CB 3.23Å; Y125-A129 WeakPolarHBondContact O-CB 3.47Å; Y125-A129 PolarHBondContact O-N 2.8Å; Y125-R143 HydrophobicContact CD1-CB 3.98Å; Y125-R143 HydrophobicContact CD1-CG 4.47Å; Y125-R143 HydrophobicContact CD2-CB 4.5Å; Y125-R143 HydrophobicContact CD2-CG 4.14Å; Y125-R143 HydrophobicContact CE1-CB 3.78Å; Y125-R143 HydrophobicContact CE1-CG 4.17Å; Y125-R143 HydrophobicContact CE2-CB 4.3Å; Y125-R143 HydrophobicContact CE2-CG 3.79Å; Y125-R143 HydrophobicContact CG-CB 4.35Å; Y125-R143 HydrophobicContact CG-CG 4.47Å; Y125-D146 VanDerWaalsContact OH-CB 3.25Å; Y125-D146 WeakPolarHBondContact OH-CB 3.33Å; Y125-D146 PolarHBondContact OH-OD2 2.91Å
126E86.8Confident88.7Confident133 Ų13378.4 Ų78.462%0.62141%0.405SS*.Hα-helixtrans-70.7-39.7176.7-60.1-172.1177.800111.3D124 K130D124-E126 PolarHBondContact O-N 2.93Å; D124-E126 WeakPolarHBondContact OD1-CB 3.29Å; D124-E126 PolarHBondContact OD1-N 2.82Å; E126-K130 WeakPolarHBondContact O-CG 3.15Å; E126-K130 PolarHBondContact O-N 3.06Å; E126-K130 VanDerWaalsContact O-N 3.16Å
127Q87Confident88.7Confident127 Ų12783 Ų8359%0.59343%0.43SS*.Hα-helixtrans-68.3-42.1174.4-74.5-174.346.700111.8D124 K130 A131D124-Q127 HydrophobicContact CB-CB 4.19Å; D124-Q127 HydrophobicContact CB-CG 4.32Å; D124-Q127 PolarHBondContact O-N 2.95Å; D124-Q127 PolarHBondContact OD1-N 2.93Å; D124-Q127 VanDerWaalsContact OD1-N 3.09Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.28Å; D124-Q127 PolarHBondContact OD2-NE2 2.85Å; Q127-K130 PolarHBondContact O-N 2.82Å; Q127-A131 WeakPolarHBondContact O-CB 3.08Å; Q127-A131 PolarHBondContact O-N 2.97Å
128I87.3Confident88.6Confident48 Ų4883.5 Ų83.525%0.24643%0.433CS..Hα-helixtrans-61.2-46176.5-64.2166.9000110.2K123 D124 K130 A131 E132 L134K123-I128 HydrophobicContact CB-CD1 4.32Å; D124-I128 WeakPolarHBondContact O-CG1 3.34Å; D124-I128 PolarHBondContact O-N 2.88Å; D124-I128 VanDerWaalsContact O-N 3.09Å; I128-K130 VanDerWaalsContact C-N 3.3Å; I128-K130 PolarHBondContact O-N 2.9Å; I128-A131 PolarHBondContact O-N 3.45Å; I128-A131 VanDerWaalsContact O-N 3.16Å; I128-E132 HydrophobicContact CG2-CG 4.46Å; I128-E132 WeakPolarHBondContact O-CB 3.37Å; I128-E132 PolarHBondContact O-N 2.97Å; I128-L134 HydrophobicContact CG2-CD1 4.42Å
129A87Confident88.4Confident18 Ų1881.6 Ų81.615%0.14943%0.425CS..Hα-helixtrans-61-37.217800000113.3Y125 H133 L134 M139Y125-A129 VanDerWaalsContact O-CB 3.23Å; Y125-A129 WeakPolarHBondContact O-CB 3.47Å; Y125-A129 PolarHBondContact O-N 2.8Å; A129-H133 CarbonylContact O-C 3.54Å; A129-H133 VanDerWaalsContact O-CA 3.29Å; A129-H133 WeakPolarHBondContact O-CA 3.5Å; A129-H133 PolarHBondContact O-N 2.82Å; A129-L134 HydrophobicContact CB-CB 4.27Å; A129-L134 PolarHBondContact O-N 3.37Å; A129-M139 HydrophobicContact CB-CB 4.12Å; A129-M139 HydrophobicContact CB-CG 3.94Å
130K89.8Confident88.5Confident149 Ų14984 Ų8465%0.64843%0.431SS*.Hα-helixtrans-69.6-39.2175.3-73.7169.4-175.21630112.4E126 Q127 I128E126-K130 WeakPolarHBondContact O-CG 3.15Å; E126-K130 PolarHBondContact O-N 3.06Å; E126-K130 VanDerWaalsContact O-N 3.16Å; Q127-K130 PolarHBondContact O-N 2.82Å; I128-K130 VanDerWaalsContact C-N 3.3Å; I128-K130 PolarHBondContact O-N 2.9Å
131A90.6Very high88.8Confident78 Ų7888.1 Ų88.165%0.64545%0.451SS*.Hα-helixtrans-72.7-39.7-178.700000112.5Q127 I128Q127-A131 WeakPolarHBondContact O-CB 3.08Å; Q127-A131 PolarHBondContact O-N 2.97Å; I128-A131 PolarHBondContact O-N 3.45Å; I128-A131 VanDerWaalsContact O-N 3.16Å
132E89.8Confident88.9Confident113 Ų11388.1 Ų88.153%0.52844%0.443SS..Hα-helixtrans-94.10.1-178.8-67.3-177.7-175.100113.2I128 L134I128-E132 HydrophobicContact CG2-CG 4.46Å; I128-E132 WeakPolarHBondContact O-CB 3.37Å; I128-E132 PolarHBondContact O-N 2.97Å; E132-L134 VanDerWaalsContact C-N 3.25Å; E132-L134 HydrophobicContact CB-CD1 4.15Å; E132-L134 HydrophobicContact CB-CD2 4.22Å; E132-L134 HydrophobicContact CB-CG 3.78Å; E132-L134 PolarHBondContact O-N 3.49Å
133H87.7Confident89Confident167 Ų16793 Ų9377%0.77346%0.459SS*.THydrogen-bonded Turntrans54.537.6-176.7-63.1-65.8000114A129A129-H133 CarbonylContact O-C 3.54Å; A129-H133 VanDerWaalsContact O-CA 3.29Å; A129-H133 WeakPolarHBondContact O-CA 3.5Å; A129-H133 PolarHBondContact O-N 2.82Å
134L85.6Confident89.3Confident44 Ų4493.9 Ų93.923%0.2347%0.466CS..  trans-71.5139.1-178.3-61.1171.8000111.1I128 A129 E132 E138 M139I128-L134 HydrophobicContact CG2-CD1 4.42Å; A129-L134 HydrophobicContact CB-CB 4.27Å; A129-L134 PolarHBondContact O-N 3.37Å; E132-L134 VanDerWaalsContact C-N 3.25Å; E132-L134 HydrophobicContact CB-CD1 4.15Å; E132-L134 HydrophobicContact CB-CD2 4.22Å; E132-L134 HydrophobicContact CB-CG 3.78Å; E132-L134 PolarHBondContact O-N 3.49Å; L134-E138 HydrophobicContact CB-CB 4.22Å; L134-E138 HydrophobicContact CD2-CB 4.26Å; L134-M139 HydrophobicContact CB-CB 4.44Å
135M89.2Confident89.5Confident126 Ų12695.6 Ų95.662%0.62147%0.472SS*.  trans-64.5154167-68.2-166.2167.900110.3L137 E138 M139M135-L137 PolarHBondContact O-N 3.18Å; M135-L137 VanDerWaalsContact O-N 3.07Å; M135-E138 HydrophobicContact CB-CB 4.44Å; M135-E138 HydrophobicContact CB-CG 4.13Å; M135-E138 PolarHBondContact N-OE2 3.26Å; M135-E138 PolarHBondContact O-N 3.36Å; M135-M139 PolarHBondContact O-N 3.41Å
136P89.5Confident89.7Confident107 Ų10795 Ų9570%0.69547%0.471SS*.Hα-helixtrans-53.5-33.8178.1-27.734.6000113.9E140P136-E140 PolarHBondContact O-N 2.95Å
137L91.5Very high89.9Confident131 Ų13192.2 Ų92.269%0.68646%0.459SS*.Hα-helixtrans-72.1-38.7176.1-176.464.6000112.6M135 E140 L141M135-L137 PolarHBondContact O-N 3.18Å; M135-L137 VanDerWaalsContact O-N 3.07Å; L137-E140 PolarHBondContact O-N 2.87Å; L137-L141 HydrophobicContact CG-CD1 4.41Å; L137-L141 WeakPolarHBondContact O-CG 3.23Å; L137-L141 PolarHBondContact O-N 3.18Å; L137-L141 VanDerWaalsContact O-N 3.07Å
138E90.5Very high90.3Very high92 Ų9289.4 Ų89.443%0.4345%0.453SS..Hα-helixtrans-68.8-38.2178.5-67.1172.3161.500111.2L134 M135 L141 R142L134-E138 HydrophobicContact CB-CB 4.22Å; L134-E138 HydrophobicContact CD2-CB 4.26Å; M135-E138 HydrophobicContact CB-CB 4.44Å; M135-E138 HydrophobicContact CB-CG 4.13Å; M135-E138 PolarHBondContact N-OE2 3.26Å; M135-E138 PolarHBondContact O-N 3.36Å; E138-L141 PolarHBondContact O-N 2.79Å; E138-R142 WeakPolarHBondContact O-CB 3.44Å; E138-R142 PolarHBondContact O-N 3.04Å
139M89.4Confident90.6Very high45 Ų4592.3 Ų92.322%0.22247%0.466CS..Hα-helixtrans-61-43.8174.1176.6-91.8-69.700112A129 L134 M135 R142 R143A129-M139 HydrophobicContact CB-CB 4.12Å; A129-M139 HydrophobicContact CB-CG 3.94Å; L134-M139 HydrophobicContact CB-CB 4.44Å; M135-M139 PolarHBondContact O-N 3.41Å; M139-R142 WeakPolarHBondContact O-CB 3.44Å; M139-R142 PolarHBondContact O-N 2.93Å; M139-R143 PolarHBondContact O-N 3.36Å
140E90.2Very high90.6Very high74 Ų7492.3 Ų92.335%0.34647%0.467SS..Hα-helixtrans-66.8-39.3177.6-170.261.4-15700111.7P136 L137 R142 R143 M144P136-E140 PolarHBondContact O-N 2.95Å; L137-E140 PolarHBondContact O-N 2.87Å; E140-R142 VanDerWaalsContact C-N 3.34Å; E140-R142 PolarHBondContact O-N 3.5Å; E140-R143 PolarHBondContact O-N 2.76Å; E140-M144 WeakPolarHBondContact O-CG 3.47Å; E140-M144 PolarHBondContact O-N 3.06Å; E140-M144 VanDerWaalsContact OE1-CE 3.3Å; E140-M144 WeakPolarHBondContact OE1-CE 3.46Å
141L92.8Very high90.7Very high112 Ų11289.1 Ų89.159%0.58646%0.457SS*.Hα-helixtrans-62.1-42.2173.3-72.6168.1000111.6L137 E138 R143 M144 E145L137-L141 HydrophobicContact CG-CD1 4.41Å; L137-L141 WeakPolarHBondContact O-CG 3.23Å; L137-L141 PolarHBondContact O-N 3.18Å; L137-L141 VanDerWaalsContact O-N 3.07Å; E138-L141 PolarHBondContact O-N 2.79Å; L141-R143 VanDerWaalsContact C-N 3.35Å; L141-R143 PolarHBondContact O-N 3.5Å; L141-M144 PolarHBondContact O-N 2.86Å; L141-E145 WeakPolarHBondContact O-CB 3.19Å; L141-E145 PolarHBondContact O-N 3.35Å
142R90.6Very high90.9Very high98 Ų9889.7 Ų89.737%0.3745%0.453SS..Hα-helixtrans-63-41177-174.558.6169.6167.15.2112E138 M139 E140 E145 D146E138-R142 WeakPolarHBondContact O-CB 3.44Å; E138-R142 PolarHBondContact O-N 3.04Å; M139-R142 WeakPolarHBondContact O-CB 3.44Å; M139-R142 PolarHBondContact O-N 2.93Å; E140-R142 VanDerWaalsContact C-N 3.34Å; E140-R142 PolarHBondContact O-N 3.5Å; R142-E145 WeakPolarHBondContact CD-OE2 3.43Å; R142-E145 IonicContact CZ-OE2 3.18Å; R142-E145 IonicContact NH1-OE1 2.76Å; R142-E145 IonicContact NH1-OE2 3.86Å; R142-E145 PolarHBondContact NH1-OE2 2.95Å; R142-E145 PolarHBondContact O-N 2.85Å; R142-D146 PolarHBondContact O-N 3.12Å
143R90.9Very high90.9Very high113 Ų11389.9 Ų89.943%0.42645%0.453SS..Hα-helixtrans-61.8-44.3174.9-177.2178.8-176.2-174.72.3112Y125 M139 E140 L141 L147Y125-R143 HydrophobicContact CD1-CB 3.98Å; Y125-R143 HydrophobicContact CD1-CG 4.47Å; Y125-R143 HydrophobicContact CD2-CB 4.5Å; Y125-R143 HydrophobicContact CD2-CG 4.14Å; Y125-R143 HydrophobicContact CE1-CB 3.78Å; Y125-R143 HydrophobicContact CE1-CG 4.17Å; Y125-R143 HydrophobicContact CE2-CB 4.3Å; Y125-R143 HydrophobicContact CE2-CG 3.79Å; Y125-R143 HydrophobicContact CG-CB 4.35Å; Y125-R143 HydrophobicContact CG-CG 4.47Å; M139-R143 PolarHBondContact O-N 3.36Å; E140-R143 PolarHBondContact O-N 2.76Å; L141-R143 VanDerWaalsContact C-N 3.35Å; L141-R143 PolarHBondContact O-N 3.5Å; R143-L147 WeakPolarHBondContact O-CB 3.41Å; R143-L147 PolarHBondContact O-N 2.59Å
144M92.7Very high90.9Very high106 Ų10685.9 Ų85.952%0.52244%0.438SS..Hα-helixtrans-67.5-36.3178-69.7-73.3173.500112.4E140 L141 S148E140-M144 WeakPolarHBondContact O-CG 3.47Å; E140-M144 PolarHBondContact O-N 3.06Å; E140-M144 VanDerWaalsContact OE1-CE 3.3Å; E140-M144 WeakPolarHBondContact OE1-CE 3.46Å; L141-M144 PolarHBondContact O-N 2.86Å; M144-S148 WeakPolarHBondContact O-CB 3.4Å; M144-S148 PolarHBondContact O-N 3.44Å
145E93.2Very high91.3Very high106 Ų10690.9 Ų90.950%0.49546%0.458SS..Hα-helixtrans-62.2-52.9173.2-178-176-153.900111.1L141 R142 L147 S148 E149L141-E145 WeakPolarHBondContact O-CB 3.19Å; L141-E145 PolarHBondContact O-N 3.35Å; R142-E145 WeakPolarHBondContact CD-OE2 3.43Å; R142-E145 IonicContact CZ-OE2 3.18Å; R142-E145 IonicContact NH1-OE1 2.76Å; R142-E145 IonicContact NH1-OE2 3.86Å; R142-E145 PolarHBondContact NH1-OE2 2.95Å; R142-E145 PolarHBondContact O-N 2.85Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-L147 PolarHBondContact O-N 3.18Å; E145-S148 WeakPolarHBondContact O-CB 2.99Å; E145-S148 PolarHBondContact O-N 3.02Å; E145-S148 VanDerWaalsContact O-N 3.13Å; E145-E149 PolarHBondContact O-N 3.47Å
146D92.1Very high91.5Very high9 Ų987.7 Ų87.75%0.04845%0.451CS..Hα-helixtrans-57.9-43177.8-82.8-7.8000111.5V120 K123 Y125 R142 E149 G150V120-D146 HydrophobicContact CG1-CB 3.95Å; V120-D146 HydrophobicContact CG2-CB 4.3Å; V120-D146 WeakPolarHBondContact CG2-O 3.33Å; K123-D146 VanDerWaalsContact NZ-CG 3.32Å; K123-D146 IonicContact NZ-OD1 3.78Å; K123-D146 PolarHBondContact NZ-OD1 3.4Å; K123-D146 IonicContact NZ-OD2 3.06Å; K123-D146 PolarHBondContact NZ-OD2 2.87Å; Y125-D146 VanDerWaalsContact OH-CB 3.25Å; Y125-D146 WeakPolarHBondContact OH-CB 3.33Å; Y125-D146 PolarHBondContact OH-OD2 2.91Å; R142-D146 PolarHBondContact O-N 3.12Å; D146-E149 PolarHBondContact O-N 2.96Å; D146-G150 PolarHBondContact O-N 3.23Å
147L91.5Very high91.5Very high74 Ų7486 Ų8639%0.38743%0.433SS..Hα-helixtrans-62.8-43.6176.7-179.562.1000111.5V120 R143 E145 G150 L151V120-L147 HydrophobicContact CG1-CB 4.25Å; R143-L147 WeakPolarHBondContact O-CB 3.41Å; R143-L147 PolarHBondContact O-N 2.59Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-L147 PolarHBondContact O-N 3.18Å; L147-G150 PolarHBondContact O-N 3.32Å; L147-L151 HydrophobicContact CG-CD1 4.33Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.29Å; L147-L151 PolarHBondContact O-N 3.32Å
148S94.9Very high91.5Very high67 Ų6785.4 Ų85.447%0.46943%0.428SS..Hα-helixtrans-63.5-42.1176.5-177.10000111.7M144 E145 L151 V152M144-S148 WeakPolarHBondContact O-CB 3.4Å; M144-S148 PolarHBondContact O-N 3.44Å; E145-S148 WeakPolarHBondContact O-CB 2.99Å; E145-S148 PolarHBondContact O-N 3.02Å; E145-S148 VanDerWaalsContact O-N 3.13Å; S148-L151 PolarHBondContact O-N 2.94Å; S148-V152 VanDerWaalsContact O-CG2 3.29Å; S148-V152 WeakPolarHBondContact O-CG2 3.42Å; S148-V152 PolarHBondContact O-N 3.1Å
149E92.5Very high91.8Very high110 Ų11088.7 Ų88.751%0.51444%0.437SS..Hα-helixtrans-63.3-44.8177.2-171.4179.4176.500111E145 D146 L151 V152 Q153E145-E149 PolarHBondContact O-N 3.47Å; D146-E149 PolarHBondContact O-N 2.96Å; E149-L151 PolarHBondContact O-N 3.05Å; E149-V152 PolarHBondContact O-N 3.48Å; E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 2.93Å; E149-Q153 PolarHBondContact OE1-NE2 3.29Å
150G88.4Confident92Very high17 Ų1791 Ų9118%0.17545%0.447CS..Hα-helixtrans-57.1-48.9174.800000112.4D146 L147 V152 Q153 D154D146-G150 PolarHBondContact O-N 3.23Å; L147-G150 PolarHBondContact O-N 3.32Å; G150-V152 VanDerWaalsContact C-N 3.33Å; G150-V152 PolarHBondContact O-N 2.91Å; G150-Q153 PolarHBondContact O-N 3.45Å; G150-D154 PolarHBondContact O-N 3.49Å
151L91.8Very high92.1Very high83 Ų8394.4 Ų94.444%0.43546%0.457SS..Hα-helixtrans-60.8-39.5177.7-71.9172.7000112.7L147 S148 E149 Q153 D154 F155L147-L151 HydrophobicContact CG-CD1 4.33Å; L147-L151 VanDerWaalsContact O-CG 3.31Å; L147-L151 WeakPolarHBondContact O-CG 3.29Å; L147-L151 PolarHBondContact O-N 3.32Å; S148-L151 PolarHBondContact O-N 2.94Å; E149-L151 PolarHBondContact O-N 3.05Å; L151-Q153 VanDerWaalsContact C-N 3.34Å; L151-D154 PolarHBondContact O-N 3.44Å; L151-F155 WeakPolarHBondContact O-CD2 3.28Å; L151-F155 PolarHBondContact O-N 2.87Å
152V94.3Very high92.3Very high90 Ų9094.7 Ų94.755%0.54546%0.455SS..Hα-helixtrans-64.8-40.5177.51700000111.1S148 E149 G150 F155 A156S148-V152 VanDerWaalsContact O-CG2 3.29Å; S148-V152 WeakPolarHBondContact O-CG2 3.42Å; S148-V152 PolarHBondContact O-N 3.1Å; E149-V152 PolarHBondContact O-N 3.48Å; G150-V152 VanDerWaalsContact C-N 3.33Å; G150-V152 PolarHBondContact O-N 2.91Å; V152-F155 PolarHBondContact O-N 2.72Å; V152-A156 WeakPolarHBondContact O-CB 3.25Å; V152-A156 PolarHBondContact O-N 2.88Å
153Q89.8Confident92.5Very high116 Ų11694.1 Ų94.154%0.54246%0.457SS..Hα-helixtrans-64.4-43.4175.3-68.5177.613.200111.4E149 G150 L151 F155 A156 F157E149-Q153 WeakPolarHBondContact O-CG 3.49Å; E149-Q153 PolarHBondContact O-N 2.93Å; E149-Q153 PolarHBondContact OE1-NE2 3.29Å; G150-Q153 PolarHBondContact O-N 3.45Å; L151-Q153 VanDerWaalsContact C-N 3.34Å; Q153-F155 PolarHBondContact O-N 3.06Å; Q153-A156 PolarHBondContact O-N 2.93Å; Q153-F157 PolarHBondContact O-N 3.29Å
154D88.2Confident92.7Very high84 Ų8492.6 Ų92.645%0.44946%0.457SS..Hα-helixtrans-61.8-43.8175.9-72.3-19.6000111.8G150 L151 A156 F157 M158G150-D154 PolarHBondContact O-N 3.49Å; L151-D154 PolarHBondContact O-N 3.44Å; D154-A156 PolarHBondContact O-N 3.24Å; D154-F157 PolarHBondContact O-N 3Å; D154-M158 WeakPolarHBondContact O-CB 3.4Å; D154-M158 VanDerWaalsContact O-CG 3.23Å; D154-M158 WeakPolarHBondContact O-CG 3.44Å; D154-M158 PolarHBondContact O-N 3.44Å
155F93.6Very high92.8Very high149 Ų14994.1 Ų94.165%0.65447%0.465SS*.Hα-helixtrans-63.2-39.9175-79.7-57.5000112.5L151 V152 Q153 F157 M158 R159L151-F155 WeakPolarHBondContact O-CD2 3.28Å; L151-F155 PolarHBondContact O-N 2.87Å; V152-F155 PolarHBondContact O-N 2.72Å; Q153-F155 PolarHBondContact O-N 3.06Å; F155-F157 VanDerWaalsContact C-N 3.35Å; F155-M158 PolarHBondContact O-N 2.98Å; F155-R159 WeakPolarHBondContact O-CB 3.37Å; F155-R159 PolarHBondContact O-N 2.54Å
156A93.4Very high92.9Very high58 Ų5896.4 Ų96.448%0.47947%0.468SS..Hα-helixtrans-62.9-43176.200000111.3V152 Q153 D154 R159 Q160V152-A156 WeakPolarHBondContact O-CB 3.25Å; V152-A156 PolarHBondContact O-N 2.88Å; Q153-A156 PolarHBondContact O-N 2.93Å; D154-A156 PolarHBondContact O-N 3.24Å; A156-R159 PolarHBondContact O-N 2.96Å; A156-Q160 PolarHBondContact O-N 3.23Å
157F89.1Confident93Very high73 Ų7398.7 Ų98.732%0.3249%0.485SS..Hα-helixtrans-63.1-46.2174.6174.6-104.3000112.3H39 Q153 D154 F155 R159 Q160 R161H39-F157 AromaticContact NE2-CD1 3.93Å; H39-F157 AromaticContact NE2-CD2 3.89Å; H39-F157 AromaticContact NE2-CE1 3.68Å; H39-F157 AromaticContact NE2-CE2 3.65Å; H39-F157 AromaticContact NE2-CZ 3.51Å; Q153-F157 PolarHBondContact O-N 3.29Å; D154-F157 PolarHBondContact O-N 3Å; F155-F157 VanDerWaalsContact C-N 3.35Å; F157-R159 VanDerWaalsContact C-N 3.3Å; F157-R159 PolarHBondContact O-N 3.48Å; F157-Q160 PolarHBondContact O-N 3.12Å; F157-R161 VanDerWaalsContact CE1-CD 3.42Å; F157-R161 HydrophobicContact CE1-CG 4.33Å; F157-R161 HydrophobicContact CE2-CG 4.39Å; F157-R161 VanDerWaalsContact CZ-CD 3.45Å; F157-R161 HydrophobicContact CZ-CG 4.17Å; F157-R161 PolarHBondContact O-N 3.4Å
158M91.9Very high93.2Very high118 Ų11899.1 Ų99.158%0.58149%0.491SS*.Hα-helixtrans-62.1-38.9178.4-71.6-62.6-75.200112D154 F155 R161 E162D154-M158 WeakPolarHBondContact O-CB 3.4Å; D154-M158 VanDerWaalsContact O-CG 3.23Å; D154-M158 WeakPolarHBondContact O-CG 3.44Å; D154-M158 PolarHBondContact O-N 3.44Å; F155-M158 PolarHBondContact O-N 2.98Å; M158-R161 PolarHBondContact O-N 2.79Å; M158-E162 PolarHBondContact O-N 2.97Å
159R96.2Very high93.1Very high160 Ų160101.2 Ų101.260%0.60450%0.497SS*.Hα-helixtrans-64-45.5174.1179.5177.3175.7159.42.4112.1F155 A156 F157 R161 E162 E163F155-R159 WeakPolarHBondContact O-CB 3.37Å; F155-R159 PolarHBondContact O-N 2.54Å; A156-R159 PolarHBondContact O-N 2.96Å; F157-R159 VanDerWaalsContact C-N 3.3Å; F157-R159 PolarHBondContact O-N 3.48Å; R159-R161 VanDerWaalsContact C-N 3.28Å; R159-R161 PolarHBondContact O-N 3.37Å; R159-E162 WeakPolarHBondContact O-CB 3.09Å; R159-E162 PolarHBondContact O-N 3.01Å; R159-E162 VanDerWaalsContact O-N 3.12Å; R159-E163 IonicContact CZ-OE1 3.78Å; R159-E163 IonicContact NE-OE1 3.83Å; R159-E163 PolarHBondContact NE-OE1 3.03Å; R159-E163 IonicContact NH2-OE1 3.67Å; R159-E163 WeakPolarHBondContact O-CG 3.3Å; R159-E163 PolarHBondContact O-N 3.4Å
160Q94.2Very high93.3Very high95 Ų95101.1 Ų101.144%0.44450%0.497SS..Hα-helixtrans-57.5-44.3176.5-17960.839.400110.9A156 F157 E162 E163 D164A156-Q160 PolarHBondContact O-N 3.23Å; F157-Q160 PolarHBondContact O-N 3.12Å; Q160-E162 VanDerWaalsContact C-N 3.34Å; Q160-E162 PolarHBondContact O-N 3.44Å; Q160-E163 PolarHBondContact O-N 3.12Å; Q160-D164 PolarHBondContact NE2-OD1 3.34Å; Q160-D164 PolarHBondContact NE2-OD2 2.76Å; Q160-D164 PolarHBondContact O-N 2.93Å
161R93.1Very high93.5Very high145 Ų145103.5 Ų103.555%0.54751%0.508SS..Hα-helixtrans-63.8-36.5176-73.9-175.163.5168.12.4113.3F157 M158 R159 M165F157-R161 VanDerWaalsContact CE1-CD 3.42Å; F157-R161 HydrophobicContact CE1-CG 4.33Å; F157-R161 HydrophobicContact CE2-CG 4.39Å; F157-R161 VanDerWaalsContact CZ-CD 3.45Å; F157-R161 HydrophobicContact CZ-CG 4.17Å; F157-R161 PolarHBondContact O-N 3.4Å; M158-R161 PolarHBondContact O-N 2.79Å; R159-R161 VanDerWaalsContact C-N 3.28Å; R159-R161 PolarHBondContact O-N 3.37Å; R161-M165 VanDerWaalsContact O-CB 3.28Å; R161-M165 WeakPolarHBondContact O-CB 3.43Å; R161-M165 PolarHBondContact O-N 3.46Å
162E95.7Very high93.7Very high118 Ų118102.7 Ų102.755%0.55151%0.506SS*.Hα-helixtrans-62.9-46.6173.6-170.1-156.1160.400111M158 R159 Q160 D164 M165 R166M158-E162 PolarHBondContact O-N 2.97Å; R159-E162 WeakPolarHBondContact O-CB 3.09Å; R159-E162 PolarHBondContact O-N 3.01Å; R159-E162 VanDerWaalsContact O-N 3.12Å; Q160-E162 VanDerWaalsContact C-N 3.34Å; Q160-E162 PolarHBondContact O-N 3.44Å; E162-D164 PolarHBondContact O-N 2.96Å; E162-M165 PolarHBondContact O-N 3.5Å; E162-R166 VanDerWaalsContact O-CB 3.25Å; E162-R166 WeakPolarHBondContact O-CB 3.24Å; E162-R166 PolarHBondContact O-N 2.91Å
163E96.3Very high93.7Very high86 Ų86105.8 Ų105.840%0.40251%0.509SS..Hα-helixtrans-61.8-43179.5-69.8177.3-170.800111.3R159 Q160 R166 S167R159-E163 IonicContact CZ-OE1 3.78Å; R159-E163 IonicContact NE-OE1 3.83Å; R159-E163 PolarHBondContact NE-OE1 3.03Å; R159-E163 IonicContact NH2-OE1 3.67Å; R159-E163 WeakPolarHBondContact O-CG 3.3Å; R159-E163 PolarHBondContact O-N 3.4Å; Q160-E163 PolarHBondContact O-N 3.12Å; E163-R166 PolarHBondContact O-N 3.27Å; E163-S167 PolarHBondContact O-N 3.06Å
164D94.8Very high93.9Very high81 Ų81102.4 Ų102.443%0.43350%0.498SS..Hα-helixtrans-65.7-41.9175.3-68.5-27.2000112Q160 E162 R166 S167 T168Q160-D164 PolarHBondContact NE2-OD1 3.34Å; Q160-D164 PolarHBondContact NE2-OD2 2.76Å; Q160-D164 PolarHBondContact O-N 2.93Å; E162-D164 PolarHBondContact O-N 2.96Å; D164-R166 VanDerWaalsContact C-N 3.33Å; D164-R166 PolarHBondContact O-N 2.9Å; D164-S167 PolarHBondContact O-N 3.5Å; D164-S167 PolarHBondContact O-OG 2.89Å; D164-T168 WeakPolarHBondContact O-CB 3.45Å; D164-T168 PolarHBondContact O-N 3.4Å; D164-T168 VanDerWaalsContact O-N 3.07Å; D164-T168 PolarHBondContact O-OG1 2.98Å
165M94Very high94.2Very high138 Ų138106.7 Ų106.768%0.6851%0.508SS*.Hα-helixtrans-67.4-36.4176.1-170.7161.775.400111.6R161 E162 T168 N169R161-M165 VanDerWaalsContact O-CB 3.28Å; R161-M165 WeakPolarHBondContact O-CB 3.43Å; R161-M165 PolarHBondContact O-N 3.46Å; E162-M165 PolarHBondContact O-N 3.5Å; M165-T168 PolarHBondContact O-N 3.45Å; M165-N169 WeakPolarHBondContact O-CB 3.49Å; M165-N169 PolarHBondContact O-N 3.26Å
166R95.5Very high94.3Very high153 Ų153103.7 Ų103.758%0.57750%0.502SS*.Hα-helixtrans-64-48.7176-175.7-178.9-177.8115.12.6111.2E162 E163 D164 T168 N169 E170E162-R166 VanDerWaalsContact O-CB 3.25Å; E162-R166 WeakPolarHBondContact O-CB 3.24Å; E162-R166 PolarHBondContact O-N 2.91Å; E163-R166 PolarHBondContact O-N 3.27Å; D164-R166 VanDerWaalsContact C-N 3.33Å; D164-R166 PolarHBondContact O-N 2.9Å; R166-T168 VanDerWaalsContact C-N 3.3Å; R166-T168 PolarHBondContact O-N 3.07Å; R166-N169 WeakPolarHBondContact O-CB 3.3Å; R166-N169 PolarHBondContact O-N 3.32Å; R166-N169 VanDerWaalsContact O-N 3.12Å; R166-E170 IonicContact CZ-OE1 3.84Å; R166-E170 IonicContact NE-OE1 3.06Å; R166-E170 PolarHBondContact NE-OE1 3.28Å; R166-E170 IonicContact NH2-OE1 3.75Å; R166-E170 WeakPolarHBondContact O-CG 3.47Å; R166-E170 PolarHBondContact O-N 3.49Å
167S94.7Very high94.4Very high57 Ų57104.3 Ų104.340%0.39950%0.497SS..Hα-helixtrans-62.3-3817870.20000112.2E163 D164 N169 E170 T171E163-S167 PolarHBondContact O-N 3.06Å; D164-S167 PolarHBondContact O-N 3.5Å; D164-S167 PolarHBondContact O-OG 2.89Å; S167-N169 VanDerWaalsContact C-N 3.34Å; S167-N169 PolarHBondContact O-N 3.28Å; S167-E170 PolarHBondContact O-N 2.87Å; S167-T171 WeakPolarHBondContact O-CG2 3.39Å; S167-T171 PolarHBondContact O-N 2.85Å; S167-T171 PolarHBondContact O-OG1 3.49Å
168T94Very high94.7Very high84 Ų84109.1 Ų109.152%0.51551%0.514SS..Hα-helixtrans-63.1-40.9173.4-59.10000111.6D164 M165 R166 T171 T172D164-T168 WeakPolarHBondContact O-CB 3.45Å; D164-T168 PolarHBondContact O-N 3.4Å; D164-T168 VanDerWaalsContact O-N 3.07Å; D164-T168 PolarHBondContact O-OG1 2.98Å; M165-T168 PolarHBondContact O-N 3.45Å; R166-T168 VanDerWaalsContact C-N 3.3Å; R166-T168 PolarHBondContact O-N 3.07Å; T168-T171 PolarHBondContact O-OG1 2.96Å; T168-T172 VanDerWaalsContact O-CB 3.3Å; T168-T172 WeakPolarHBondContact O-CB 3.48Å; T168-T172 PolarHBondContact O-N 3.44Å; T168-T172 PolarHBondContact O-OG1 3.46Å
169N94.7Very high94.9Very high111 Ų111109.2 Ų109.259%0.59452%0.517SS*.Hα-helixtrans-67.8-43.2177.3-164.412.5000111.7M165 R166 S167 T172 Y173M165-N169 WeakPolarHBondContact O-CB 3.49Å; M165-N169 PolarHBondContact O-N 3.26Å; R166-N169 WeakPolarHBondContact O-CB 3.3Å; R166-N169 PolarHBondContact O-N 3.32Å; R166-N169 VanDerWaalsContact O-N 3.12Å; S167-N169 VanDerWaalsContact C-N 3.34Å; S167-N169 PolarHBondContact O-N 3.28Å; N169-T172 PolarHBondContact O-N 3.02Å; N169-Y173 VanDerWaalsContact O-CB 3.29Å; N169-Y173 WeakPolarHBondContact O-CB 3.28Å; N169-Y173 PolarHBondContact O-N 2.81Å
170E95Very high94.9Very high108 Ų108104.7 Ų104.751%0.50551%0.509SS..Hα-helixtrans-63.3-43.3177.7-72.7177.3-174.500112.3R166 S167 Y173 S174R166-E170 IonicContact CZ-OE1 3.84Å; R166-E170 IonicContact NE-OE1 3.06Å; R166-E170 PolarHBondContact NE-OE1 3.28Å; R166-E170 IonicContact NH2-OE1 3.75Å; R166-E170 WeakPolarHBondContact O-CG 3.47Å; R166-E170 PolarHBondContact O-N 3.49Å; S167-E170 PolarHBondContact O-N 2.87Å; E170-Y173 PolarHBondContact O-N 3.31Å; E170-S174 PolarHBondContact O-N 2.98Å; E170-S174 PolarHBondContact O-OG 3.41Å; E170-S174 VanDerWaalsContact O-OG 3.11Å
171T93.5Very high95.1Very high66 Ų66103.8 Ų103.841%0.40551%0.51SS..Hα-helixtrans-67.7-36.5175.653.80000112.4S167 T168 S174 R175S167-T171 WeakPolarHBondContact O-CG2 3.39Å; S167-T171 PolarHBondContact O-N 2.85Å; S167-T171 PolarHBondContact O-OG1 3.49Å; T168-T171 PolarHBondContact O-OG1 2.96Å; T171-S174 PolarHBondContact O-OG 3.34Å; T171-R175 WeakPolarHBondContact O-CD 3.29Å; T171-R175 VanDerWaalsContact O-CG 3.23Å; T171-R175 WeakPolarHBondContact O-CG 3.49Å; T171-R175 PolarHBondContact O-N 2.95Å
172T95.1Very high95.3Very high66 Ų66103.4 Ų103.441%0.40551%0.513SS..Hα-helixtrans-66.4-47.4174.2-59.80000111T168 N169 S174 R175 V176T168-T172 VanDerWaalsContact O-CB 3.3Å; T168-T172 WeakPolarHBondContact O-CB 3.48Å; T168-T172 PolarHBondContact O-N 3.44Å; T168-T172 PolarHBondContact O-OG1 3.46Å; N169-T172 PolarHBondContact O-N 3.02Å; T172-S174 PolarHBondContact O-N 3.31Å; T172-R175 PolarHBondContact O-N 3.48Å; T172-V176 HydrophobicContact CG2-CG2 4.29Å; T172-V176 WeakPolarHBondContact O-CB 3.3Å; T172-V176 VanDerWaalsContact O-CG2 3.29Å; T172-V176 WeakPolarHBondContact O-CG2 3.49Å; T172-V176 PolarHBondContact O-N 2.97Å
173Y94.5Very high95.4Very high155 Ų155100.3 Ų100.361%0.60850%0.504SS*.Hα-helixtrans-57.6-48.6179177.2-99.8000111.9N169 E170 R175 V176 L177N169-Y173 VanDerWaalsContact O-CB 3.29Å; N169-Y173 WeakPolarHBondContact O-CB 3.28Å; N169-Y173 PolarHBondContact O-N 2.81Å; E170-Y173 PolarHBondContact O-N 3.31Å; Y173-R175 PolarHBondContact O-N 2.74Å; Y173-V176 PolarHBondContact O-N 3.01Å; Y173-L177 HydrophobicContact CE1-CD1 3.96Å; Y173-L177 VanDerWaalsContact O-CB 3.28Å; Y173-L177 WeakPolarHBondContact O-CB 3.23Å; Y173-L177 PolarHBondContact O-N 3.41Å
174S93.6Very high95.4Very high45 Ų4599.8 Ų99.832%0.31551%0.506SS..Hα-helixtrans-61.3-45.1178.7560000112.5E170 T171 T172 V176 L177 Y178E170-S174 PolarHBondContact O-N 2.98Å; E170-S174 PolarHBondContact O-OG 3.41Å; E170-S174 VanDerWaalsContact O-OG 3.11Å; T171-S174 PolarHBondContact O-OG 3.34Å; T172-S174 PolarHBondContact O-N 3.31Å; S174-V176 PolarHBondContact O-N 3.11Å; S174-L177 PolarHBondContact O-N 2.66Å; S174-Y178 WeakPolarHBondContact O-CD2 3.39Å; S174-Y178 PolarHBondContact O-N 3.35Å
175R95.3Very high95.5Very high175 Ų175100.3 Ų100.366%0.6651%0.508SS*.Hα-helixtrans-60.1-46.3176.2-71172.2-176.9-177.63.1112T171 T172 Y173 L177 Y178 L179T171-R175 WeakPolarHBondContact O-CD 3.29Å; T171-R175 VanDerWaalsContact O-CG 3.23Å; T171-R175 WeakPolarHBondContact O-CG 3.49Å; T171-R175 PolarHBondContact O-N 2.95Å; T172-R175 PolarHBondContact O-N 3.48Å; Y173-R175 PolarHBondContact O-N 2.74Å; R175-L177 VanDerWaalsContact C-N 3.34Å; R175-Y178 PolarHBondContact O-N 3.22Å; R175-L179 WeakPolarHBondContact O-CG 3.34Å; R175-L179 PolarHBondContact O-N 3.02Å
176V95.8Very high95.7Very high86 Ų8696 Ų9652%0.52149%0.491SS..Hα-helixtrans-63.6-40.7177.71720000110.9T172 Y173 S174 L179 S180T172-V176 HydrophobicContact CG2-CG2 4.29Å; T172-V176 WeakPolarHBondContact O-CB 3.3Å; T172-V176 VanDerWaalsContact O-CG2 3.29Å; T172-V176 WeakPolarHBondContact O-CG2 3.49Å; T172-V176 PolarHBondContact O-N 2.97Å; Y173-V176 PolarHBondContact O-N 3.01Å; S174-V176 PolarHBondContact O-N 3.11Å; V176-L179 PolarHBondContact O-N 2.97Å; V176-S180 VanDerWaalsContact O-CB 3.3Å; V176-S180 WeakPolarHBondContact O-CB 3.39Å; V176-S180 PolarHBondContact O-N 2.99Å
177L95.7Very high95.8Very high71 Ų7194.1 Ų94.137%0.37249%0.492SS..Hα-helixtrans-62.7-45.8176.7-177.9138.3000111.8Y173 S174 R175 S180 V181Y173-L177 HydrophobicContact CE1-CD1 3.96Å; Y173-L177 VanDerWaalsContact O-CB 3.28Å; Y173-L177 WeakPolarHBondContact O-CB 3.23Å; Y173-L177 PolarHBondContact O-N 3.41Å; S174-L177 PolarHBondContact O-N 2.66Å; R175-L177 VanDerWaalsContact C-N 3.34Å; L177-S180 WeakPolarHBondContact O-CB 3.44Å; L177-S180 PolarHBondContact O-N 3.43Å; L177-V181 HydrophobicContact CD2-CG2 4.41Å; L177-V181 WeakPolarHBondContact O-CG2 3.34Å; L177-V181 PolarHBondContact O-N 3.42Å
178Y95.2Very high95.9Very high173 Ų17396.6 Ų96.668%0.67850%0.5SS*.Hα-helixtrans-62.7-42.8176.3-74.9-63.6000112.6S174 R175 S180 V181 F182S174-Y178 WeakPolarHBondContact O-CD2 3.39Å; S174-Y178 PolarHBondContact O-N 3.35Å; R175-Y178 PolarHBondContact O-N 3.22Å; Y178-S180 VanDerWaalsContact C-N 3.33Å; Y178-S180 PolarHBondContact O-N 3.29Å; Y178-V181 PolarHBondContact O-N 2.94Å; Y178-F182 WeakPolarHBondContact O-CB 3.29Å; Y178-F182 PolarHBondContact O-N 2.97Å
179L96.3Very high96.1Very high121 Ų12196.2 Ų96.263%0.63450%0.5SS*.Hα-helixtrans-62.2-40.7174.6-72.8172.6000111.7R175 V176 S183R175-L179 WeakPolarHBondContact O-CG 3.34Å; R175-L179 PolarHBondContact O-N 3.02Å; V176-L179 PolarHBondContact O-N 2.97Å; L179-S183 WeakPolarHBondContact O-CB 3.43Å; L179-S183 PolarHBondContact O-N 2.89Å
180S96.8Very high96.2Very high65 Ų6595.8 Ų95.846%0.45550%0.497SS..Hα-helixtrans-63.6-49.6176.7-177.70000111.7V176 L177 Y178 F182 S183 V184V176-S180 VanDerWaalsContact O-CB 3.3Å; V176-S180 WeakPolarHBondContact O-CB 3.39Å; V176-S180 PolarHBondContact O-N 2.99Å; L177-S180 WeakPolarHBondContact O-CB 3.44Å; L177-S180 PolarHBondContact O-N 3.43Å; Y178-S180 VanDerWaalsContact C-N 3.33Å; Y178-S180 PolarHBondContact O-N 3.29Å; S180-F182 PolarHBondContact O-N 3.17Å; S180-S183 PolarHBondContact O-N 3.46Å; S180-S183 VanDerWaalsContact O-N 3.17Å; S180-S183 PolarHBondContact O-OG 3.06Å; S180-V184 WeakPolarHBondContact O-CG2 3.02Å; S180-V184 PolarHBondContact O-N 2.94Å
181V97.1Very high96.3Very high75 Ų7592.8 Ų92.846%0.45549%0.491SS..Hα-helixtrans-60.2-45.3177.1171.70000111.4L177 Y178 S183 V184 I185L177-V181 HydrophobicContact CD2-CG2 4.41Å; L177-V181 WeakPolarHBondContact O-CG2 3.34Å; L177-V181 PolarHBondContact O-N 3.42Å; Y178-V181 PolarHBondContact O-N 2.94Å; V181-S183 VanDerWaalsContact C-N 3.32Å; V181-S183 PolarHBondContact O-N 3.44Å; V181-V184 PolarHBondContact O-N 3.4Å; V181-I185 HydrophobicContact CG1-CD1 3.94Å; V181-I185 WeakPolarHBondContact O-CG1 3.41Å; V181-I185 PolarHBondContact O-N 3.47Å
182F97.2Very high96.5Very high137 Ų13793.7 Ų93.760%0.60150%0.496SS*.Hα-helixtrans-58.4-44.5175.4177.5-103.4000111.6Y178 S180 V184 I185 C186Y178-F182 WeakPolarHBondContact O-CB 3.29Å; Y178-F182 PolarHBondContact O-N 2.97Å; S180-F182 PolarHBondContact O-N 3.17Å; F182-V184 PolarHBondContact O-N 2.96Å; F182-I185 PolarHBondContact O-N 2.99Å; F182-C186 VanDerWaalsContact CZ-SG 3.55Å; F182-C186 PolarHBondContact O-N 3.35Å; F182-C186 PolarHBondContact O-SG 3.43Å
183S97.3Very high96.5Very high54 Ų5498.9 Ų98.938%0.37851%0.509SS..Hα-helixtrans-61.3-41.6178.4790000112.7L179 S180 V181 C186 L187L179-S183 WeakPolarHBondContact O-CB 3.43Å; L179-S183 PolarHBondContact O-N 2.89Å; S180-S183 PolarHBondContact O-N 3.46Å; S180-S183 VanDerWaalsContact O-N 3.17Å; S180-S183 PolarHBondContact O-OG 3.06Å; V181-S183 VanDerWaalsContact C-N 3.32Å; V181-S183 PolarHBondContact O-N 3.44Å; S183-C186 PolarHBondContact O-N 3.49Å; S183-L187 WeakPolarHBondContact O-CG 3.5Å; S183-L187 PolarHBondContact O-N 3.25Å
184V97.4Very high96.6Very high74 Ų7497.3 Ų97.345%0.44851%0.507SS..Hα-helixtrans-64.3-44.1177.4172.20000110.8S180 V181 F182 C186 L187 L188S180-V184 WeakPolarHBondContact O-CG2 3.02Å; S180-V184 PolarHBondContact O-N 2.94Å; V181-V184 PolarHBondContact O-N 3.4Å; F182-V184 PolarHBondContact O-N 2.96Å; V184-C186 PolarHBondContact O-N 3.35Å; V184-L187 PolarHBondContact O-N 2.88Å; V184-L188 HydrophobicContact CG1-CD1 4.22Å; V184-L188 WeakPolarHBondContact O-CG 3.36Å; V184-L188 PolarHBondContact O-N 3.41Å
185I97.7Very high96.7Very high92 Ų9298.9 Ų98.947%0.47251%0.514SS..Hα-helixtrans-61.1-46176.6-66.6167.8000110.5V181 F182 L187 L188 C189V181-I185 HydrophobicContact CG1-CD1 3.94Å; V181-I185 WeakPolarHBondContact O-CG1 3.41Å; V181-I185 PolarHBondContact O-N 3.47Å; F182-I185 PolarHBondContact O-N 2.99Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 2.86Å; I185-L188 PolarHBondContact O-N 3.38Å; I185-C189 PolarHBondContact O-N 2.88Å; I185-C189 PolarHBondContact O-SG 2.95Å; I185-C189 VanDerWaalsContact O-SG 3.36Å
186C97.7Very high96.6Very high47 Ų4795 Ų9532%0.31851%0.506SS..Hα-helixtrans-58.6-43.8176.2-73.70000112.2F182 S183 V184 C189 L190F182-C186 VanDerWaalsContact CZ-SG 3.55Å; F182-C186 PolarHBondContact O-N 3.35Å; F182-C186 PolarHBondContact O-SG 3.43Å; S183-C186 PolarHBondContact O-N 3.49Å; V184-C186 PolarHBondContact O-N 3.35Å; C186-C189 PolarHBondContact O-N 3.37Å; C186-L190 VanDerWaalsContact O-CG 3.32Å; C186-L190 WeakPolarHBondContact O-CG 3.38Å; C186-L190 PolarHBondContact O-N 3.27Å
187L97.5Very high96.5Very high115 Ų11597.8 Ų97.860%0.60251%0.508SS*.Hα-helixtrans-63.5-41177.3-71.6173.1000112.4S183 V184 I185 L190 A191S183-L187 WeakPolarHBondContact O-CG 3.5Å; S183-L187 PolarHBondContact O-N 3.25Å; V184-L187 PolarHBondContact O-N 2.88Å; I185-L187 VanDerWaalsContact C-N 3.34Å; I185-L187 PolarHBondContact O-N 2.86Å; L187-L190 PolarHBondContact O-N 2.99Å; L187-A191 WeakPolarHBondContact O-CB 3.38Å; L187-A191 PolarHBondContact O-N 3.36Å
188L97.6Very high96.3Very high109 Ų10998.6 Ų98.657%0.57151%0.513SS*.Hα-helixtrans-65.2-41.7175.6-69.4174.6000112.1V184 I185 A191 T192V184-L188 HydrophobicContact CG1-CD1 4.22Å; V184-L188 WeakPolarHBondContact O-CG 3.36Å; V184-L188 PolarHBondContact O-N 3.41Å; I185-L188 PolarHBondContact O-N 3.38Å; L188-A191 PolarHBondContact O-N 3.49Å; L188-T192 WeakPolarHBondContact O-CB 3.25Å; L188-T192 WeakPolarHBondContact O-CG2 3.33Å; L188-T192 PolarHBondContact O-N 2.96Å; L188-T192 PolarHBondContact O-OG1 2.93Å
189C97.2Very high96.1Very high75 Ų7598.6 Ų98.651%0.50751%0.512SS..Hα-helixtrans-61.9-43.2174.2-72.10000111.8I185 C186 T192 W193I185-C189 PolarHBondContact O-N 2.88Å; I185-C189 PolarHBondContact O-SG 2.95Å; I185-C189 VanDerWaalsContact O-SG 3.36Å; C186-C189 PolarHBondContact O-N 3.37Å; C189-T192 WeakPolarHBondContact CA-OG1 3.32Å; C189-T192 PolarHBondContact O-OG1 2.95Å; C189-W193 VanDerWaalsContact O-CB 3.26Å; C189-W193 WeakPolarHBondContact O-CB 3.36Å; C189-W193 PolarHBondContact O-N 3.29Å
190L97.3Very high95.8Very high103 Ų103101.7 Ų101.754%0.53952%0.515SS..Hα-helixtrans-66.1-43.3176.7-71.1175000111.9C186 L187 W193 Q194C186-L190 VanDerWaalsContact O-CG 3.32Å; C186-L190 WeakPolarHBondContact O-CG 3.38Å; C186-L190 PolarHBondContact O-N 3.27Å; L187-L190 PolarHBondContact O-N 2.99Å; L190-W193 PolarHBondContact O-N 3.42Å; L190-Q194 WeakPolarHBondContact O-CB 3.49Å; L190-Q194 VanDerWaalsContact O-CG 3.25Å; L190-Q194 WeakPolarHBondContact O-CG 3.38Å; L190-Q194 PolarHBondContact O-N 3.28Å
191A97.3Very high95.5Very high44 Ų44103.1 Ų103.136%0.36451%0.513SS..Hα-helixtrans-63.3-45178.200000112.2L187 L188 Q194 V195L187-A191 WeakPolarHBondContact O-CB 3.38Å; L187-A191 PolarHBondContact O-N 3.36Å; L188-A191 PolarHBondContact O-N 3.49Å; A191-Q194 PolarHBondContact O-N 3.43Å; A191-V195 WeakPolarHBondContact O-CG2 3.37Å; A191-V195 PolarHBondContact O-N 3.05Å
192T96.6Very high95.1Very high85 Ų85103.3 Ų103.352%0.52151%0.508SS..Hα-helixtrans-65-42.3176.550.40000111.8L188 C189 V195 L196L188-T192 WeakPolarHBondContact O-CB 3.25Å; L188-T192 WeakPolarHBondContact O-CG2 3.33Å; L188-T192 PolarHBondContact O-N 2.96Å; L188-T192 PolarHBondContact O-OG1 2.93Å; C189-T192 WeakPolarHBondContact CA-OG1 3.32Å; C189-T192 PolarHBondContact O-OG1 2.95Å; T192-V195 PolarHBondContact O-N 3.17Å; T192-L196 WeakPolarHBondContact O-CG 3.44Å; T192-L196 PolarHBondContact O-N 3.36Å
193W96.6Very high94.6Very high175 Ų175103.2 Ų103.266%0.66351%0.507SS*.Hα-helixtrans-59.1-46.5173.3-178.9-90.3000112C189 L190 V195 L196 Y197C189-W193 VanDerWaalsContact O-CB 3.26Å; C189-W193 WeakPolarHBondContact O-CB 3.36Å; C189-W193 PolarHBondContact O-N 3.29Å; L190-W193 PolarHBondContact O-N 3.42Å; W193-V195 PolarHBondContact O-N 3.23Å; W193-L196 PolarHBondContact O-N 3.49Å; W193-Y197 WeakPolarHBondContact O-CB 3.39Å; W193-Y197 PolarHBondContact O-N 2.91Å
194Q96.5Very high94.1Very high123 Ų123104.8 Ų104.858%0.57552%0.523SS*.Hα-helixtrans-58.4-45.7176.6-78.3175.7-11.200111.9L190 A191 Y197 L198L190-Q194 WeakPolarHBondContact O-CB 3.49Å; L190-Q194 VanDerWaalsContact O-CG 3.25Å; L190-Q194 WeakPolarHBondContact O-CG 3.38Å; L190-Q194 PolarHBondContact O-N 3.28Å; A191-Q194 PolarHBondContact O-N 3.43Å; Q194-Y197 PolarHBondContact O-N 3.47Å; Q194-L198 WeakPolarHBondContact O-CB 3.33Å; Q194-L198 WeakPolarHBondContact O-CG 3.42Å; Q194-L198 PolarHBondContact O-N 2.93Å
195V95Very high93.7Very high77 Ų77107.6 Ų107.647%0.46753%0.529SS..Hα-helixtrans-63.6-42.6177.3171.90000111.4A191 T192 W193 L198 R199A191-V195 WeakPolarHBondContact O-CG2 3.37Å; A191-V195 PolarHBondContact O-N 3.05Å; T192-V195 PolarHBondContact O-N 3.17Å; W193-V195 PolarHBondContact O-N 3.23Å; V195-L198 PolarHBondContact O-N 3.48Å; V195-R199 HydrophobicContact CG1-CG 4.48Å; V195-R199 WeakPolarHBondContact O-CB 3.37Å; V195-R199 WeakPolarHBondContact O-CG 3.34Å; V195-R199 PolarHBondContact O-N 3.26Å
196L93.8Very high92.6Very high94 Ų94112.6 Ų112.649%0.49255%0.548SS..Hα-helixtrans-65.9-40.5177-71.6174.7000112T192 W193 R199 R200T192-L196 WeakPolarHBondContact O-CG 3.44Å; T192-L196 PolarHBondContact O-N 3.36Å; W193-L196 PolarHBondContact O-N 3.49Å; L196-R199 PolarHBondContact O-N 3.36Å; L196-R200 WeakPolarHBondContact O-CB 3.38Å; L196-R200 WeakPolarHBondContact O-CG 3.35Å; L196-R200 PolarHBondContact O-N 2.93Å
197Y93.7Very high91.3Very high145 Ų145116.2 Ų116.257%0.56956%0.563SS**Hα-helixtrans-61-49.8175.1179.9-92.1000111.1W193 Q194 R199 R200 F201W193-Y197 WeakPolarHBondContact O-CB 3.39Å; W193-Y197 PolarHBondContact O-N 2.91Å; Q194-Y197 PolarHBondContact O-N 3.47Å; Y197-R199 PolarHBondContact O-N 2.84Å; Y197-R200 PolarHBondContact O-N 3.45Å; Y197-F201 WeakPolarHBondContact O-CB 3.26Å; Y197-F201 PolarHBondContact O-N 2.91Å
198L91.7Very high89.8Confident88 Ų88115.8 Ų115.846%0.46156%0.561SS.*Hα-helixtrans-62.1-41.8177.4-73.1172.6000112.2Q194 V195 F201 F202Q194-L198 WeakPolarHBondContact O-CB 3.33Å; Q194-L198 WeakPolarHBondContact O-CG 3.42Å; Q194-L198 PolarHBondContact O-N 2.93Å; V195-L198 PolarHBondContact O-N 3.48Å; L198-F201 PolarHBondContact O-N 2.97Å; L198-F202 WeakPolarHBondContact O-CD2 3.48Å; L198-F202 PolarHBondContact O-N 3.27Å
199R90.8Very high87.7Confident173 Ų173120.9 Ų120.965%0.65359%0.588SS**Hα-helixtrans-61.6-44.3174.5-77.7-177175.7-162-0.5112.1V195 L196 Y197 F202 K203V195-R199 HydrophobicContact CG1-CG 4.48Å; V195-R199 WeakPolarHBondContact O-CB 3.37Å; V195-R199 WeakPolarHBondContact O-CG 3.34Å; V195-R199 PolarHBondContact O-N 3.26Å; L196-R199 PolarHBondContact O-N 3.36Å; Y197-R199 PolarHBondContact O-N 2.84Å; R199-F202 PolarHBondContact O-N 2.98Å; R199-K203 WeakPolarHBondContact O-CG 3.33Å; R199-K203 PolarHBondContact O-N 3.16Å
200R89.8Confident87.2Confident185 Ų185123.2 Ų123.270%0.69859%0.592SS**Hα-helixtrans-64.5-39.9176-75.3178.9-179.3-176.81.4111.6L196 Y197 K203 A204L196-R200 WeakPolarHBondContact O-CB 3.38Å; L196-R200 WeakPolarHBondContact O-CG 3.35Å; L196-R200 PolarHBondContact O-N 2.93Å; Y197-R200 PolarHBondContact O-N 3.45Å; R200-K203 PolarHBondContact O-N 3.33Å; R200-A204 WeakPolarHBondContact O-CB 3.39Å; R200-A204 PolarHBondContact O-N 3.38Å
201F90Very high86.7Confident95 Ų95124.2 Ų124.242%0.41760%0.595SS.*Hα-helixtrans-62.9-46177-176.6-95.2000112Y197 L198 A204 K205Y197-F201 WeakPolarHBondContact O-CB 3.26Å; Y197-F201 PolarHBondContact O-N 2.91Å; L198-F201 PolarHBondContact O-N 2.97Å; F201-A204 PolarHBondContact O-N 2.97Å; F201-K205 HydrophobicContact CE1-CG 4.36Å; F201-K205 HydrophobicContact CZ-CG 4.38Å; F201-K205 PolarHBondContact O-N 3.48Å; F201-K205 VanDerWaalsContact O-N 3.11Å
202F89Confident86.1Confident80 Ų80128.7 Ų128.735%0.35161%0.608SS.*Hα-helixtrans-67.8-37.5177.5-70.3-40.2000113.4L198 R199 K205 K206 L207 I208L198-F202 WeakPolarHBondContact O-CD2 3.48Å; L198-F202 PolarHBondContact O-N 3.27Å; R199-F202 PolarHBondContact O-N 2.98Å; F202-K205 PolarHBondContact O-N 2.96Å; F202-K206 PolarHBondContact O-N 3.41Å; F202-L207 PolarHBondContact O-N 3.31Å; F202-I208 HydrophobicContact CB-CD1 3.99Å; F202-I208 HydrophobicContact CB-CG1 4.33Å; F202-I208 HydrophobicContact CD2-CD1 4.05Å; F202-I208 HydrophobicContact CG-CD1 4.2Å
203K86.3Confident85.5Confident135 Ų135131.2 Ų131.259%0.58761%0.613SS**Hα-helixtrans-62.8-44.5172.4-76.2-168.8175.2-155.90112.1R199 R200 K205 K206R199-K203 WeakPolarHBondContact O-CG 3.33Å; R199-K203 PolarHBondContact O-N 3.16Å; R200-K203 PolarHBondContact O-N 3.33Å; K203-K205 VanDerWaalsContact C-N 3.26Å; K203-K205 PolarHBondContact O-N 3.11Å; K203-K206 PolarHBondContact O-N 2.84Å; K203-K206 VanDerWaalsContact O-N 3.16Å
204A87.1Confident84.8Confident86 Ų86128.5 Ų128.571%0.71161%0.61SS**Hα-helixtrans-63.9-31.1178.400000113R200 F201R200-A204 WeakPolarHBondContact O-CB 3.39Å; R200-A204 PolarHBondContact O-N 3.38Å; F201-A204 PolarHBondContact O-N 2.97Å
205K88.8Confident84Confident134 Ų134128.9 Ų128.958%0.58361%0.612SS**THydrogen-bonded Turntrans-86.3-0.8177.4-72.7-73.4-172.9177.80114.3F201 F202 K203 L207F201-K205 HydrophobicContact CE1-CG 4.36Å; F201-K205 HydrophobicContact CZ-CG 4.38Å; F201-K205 PolarHBondContact O-N 3.48Å; F201-K205 VanDerWaalsContact O-N 3.11Å; F202-K205 PolarHBondContact O-N 2.96Å; K203-K205 VanDerWaalsContact C-N 3.26Å; K203-K205 PolarHBondContact O-N 3.11Å; K205-L207 VanDerWaalsContact C-N 3.28Å; K205-L207 HydrophobicContact CB-CD1 3.52Å; K205-L207 PolarHBondContact O-N 3.05Å
206K75.2Confident83.2Confident196 Ų196132.6 Ų132.685%0.85262%0.623SS**THydrogen-bonded Turntrans57.333.3-175.8-57.2-177176.5-176.90114.1F202 K203F202-K206 PolarHBondContact O-N 3.41Å; K203-K206 PolarHBondContact O-N 2.84Å; K203-K206 VanDerWaalsContact O-N 3.16Å
207L69.4Low82.4Confident124 Ų124135.5 Ų135.565%0.64963%0.633SS**SBendtrans-86.2-16.1175.5-89.489.3000113.1F202 K205F202-L207 PolarHBondContact O-N 3.31Å; K205-L207 VanDerWaalsContact C-N 3.28Å; K205-L207 HydrophobicContact CB-CD1 3.52Å; K205-L207 PolarHBondContact O-N 3.05Å
208I66.9Low81.4Confident106 Ų106134.8 Ų134.854%0.54464%0.638SS.*  trans-148.1129.7-178-47.5174.4000107.2F202F202-I208 HydrophobicContact CB-CD1 3.99Å; F202-I208 HydrophobicContact CB-CG1 4.33Å; F202-I208 HydrophobicContact CD2-CD1 4.05Å; F202-I208 HydrophobicContact CG-CD1 4.2Å
209D52.2Low80.5Confident215 Ų215139 Ų139100%1.1565%0.654SS**  trans-61.30177.3-73.9-32.5000112.9

Retrieved 209 of 209 residues in 113.2 ms (Link to these results)

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