A0A087XIK3_POEFO Loading...

Pre-mRNA-splicing factor RBM22

AlphaFold DB , UniProt , Accession A0A087XIK3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 426 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M39.3Very low46.6Very low241 Ų241129.2 Ų129.2100%1.18776%0.76SS**  085.30-69.7-81.4-134.300107.8
2A36.9Very low47.2Very low101 Ų101132.8 Ų132.884%0.83575%0.751SS**  trans-120.583.8174.800000106.7S4A2-S4 PolarHBondContact O-N 3.36Å
3T43.7Very low47.8Very low122 Ų122135.5 Ų135.575%0.74875%0.754SS**  trans-75.399.517045.20000107.2L5T3-L5 PolarHBondContact O-N 3.49Å
4S44.2Very low49.1Very low117 Ų117130 Ų13082%0.81872%0.722SS**  trans-61.9103.7163.652.80000107.7A2 G6A2-S4 PolarHBondContact O-N 3.36Å; S4-G6 VanDerWaalsContact C-N 3.28Å; S4-G6 PolarHBondContact O-N 3.44Å
5L48.8Very low50.9Low154 Ų154129.9 Ų129.981%0.80671%0.706SS**  trans-62.389.8170.5-75154.6000108.3T3 S7T3-L5 PolarHBondContact O-N 3.49Å; L5-S7 PolarHBondContact O-N 3.42Å
6G46.8Very low52.5Low64 Ų64122.9 Ų122.966%0.6667%0.668SS**  trans-61126.2161.300000108.4S4 N8S4-G6 VanDerWaalsContact C-N 3.28Å; S4-G6 PolarHBondContact O-N 3.44Å; G6-N8 PolarHBondContact O-N 3.47Å
7S50.6Low54.4Low120 Ų120120 Ų12084%0.83965%0.651SS**SBendtrans-67.665.7-177.2550000112.8L5L5-S7 PolarHBondContact O-N 3.42Å
8N49.3Very low56.1Low88 Ų88113.9 Ų113.947%0.47162%0.62SS.*  trans-132.579.3175.7-134.7-46.8000110G6 E115G6-N8 PolarHBondContact O-N 3.47Å; N8-E115 PolarHBondContact ND2-OE1 3.46Å
9T53.1Low57.8Low112 Ų112114.9 Ų114.969%0.68763%0.625SS**  trans-98.40.5-170.741.20000114.6
10Y46.4Very low59.6Low214 Ų214115.1 Ų115.184%0.83962%0.62SS**SBendtrans-102.6-3.3-164.7-124.5-90.5000118.3
11N53.3Low61.3Low88 Ų88109.8 Ų109.847%0.47159%0.591SS.*  trans-160.581168.4-109.2-40.5000113.2Q13 Q119N11-Q13 PolarHBondContact O-N 3.18Å; N11-Q119 PolarHBondContact ND2-NE2 3.35Å
12R53.8Low64Low173 Ų173100 Ų10065%0.65354%0.544SS*.THydrogen-bonded Turntrans-773.4175.2-73.5-176.2173.5177.8-1.5114.3
13Q54.6Low66.8Low168 Ų16896.5 Ų96.579%0.78551%0.51SS*.THydrogen-bonded Turntrans-84.4-11.7-168.9-86.1175.6-400115.8N11N11-Q13 PolarHBondContact O-N 3.18Å
14N65.9Low69.2Low58 Ų5891.7 Ų91.731%0.3148%0.481SS..  trans-121.277.9-177.8-65.132000109.2R50 E122N14-R50 PolarHBondContact O-NH2 3.43Å; N14-E122 WeakPolarHBondContact CB-OE2 3.48Å; N14-E122 PolarHBondContact ND2-OE2 3.42Å
15W76.4Confident71.6Confident128 Ų12892.6 Ų92.649%0.48547%0.473SS..  trans-90.6139.8166.9-61.8-14.4000109.7D17 Y41W15-D17 PolarHBondContact O-N 3.47Å; W15-Y41 HydrophobicContact CB-CD1 3.7Å; W15-Y41 HydrophobicContact CB-CE1 3.16Å; W15-Y41 HydrophobicContact CD2-CD1 4.45Å; W15-Y41 HydrophobicContact CD2-CE1 4.45Å; W15-Y41 HydrophobicContact CE3-CD1 4.22Å; W15-Y41 AromaticContact CE3-CD2 3.74Å; W15-Y41 HydrophobicContact CE3-CD2 3.74Å; W15-Y41 HydrophobicContact CE3-CE1 4.2Å; W15-Y41 AromaticContact CE3-CE2 3.66Å; W15-Y41 HydrophobicContact CE3-CE2 3.66Å; W15-Y41 AromaticContact CE3-CG 3.99Å; W15-Y41 HydrophobicContact CE3-CG 3.99Å; W15-Y41 AromaticContact CE3-CZ 3.88Å; W15-Y41 HydrophobicContact CG-CD1 4.32Å; W15-Y41 HydrophobicContact CG-CE1 4.14Å; W15-Y41 HydrophobicContact CZ3-CD2 4.17Å; W15-Y41 HydrophobicContact CZ3-CE2 4.33Å
16E77.6Confident73.8Confident19 Ų1986.4 Ų86.49%0.08944%0.442CS..  trans-83.4115.7-175.8-172.7-91.8178.900110.9A18 Y41 F52 T53 Q72E16-A18 WeakPolarHBondContact OE1-CB 3.5Å; E16-Y41 VanDerWaalsContact O-CE1 3.25Å; E16-Y41 WeakPolarHBondContact O-CE1 3.47Å; E16-F52 HydrophobicContact CB-CB 4.23Å; E16-F52 WeakPolarHBondContact OE2-CB 3.36Å; E16-T53 PolarHBondContact O-N 2.9Å; E16-T53 PolarHBondContact O-OG1 3.14Å; E16-T53 PolarHBondContact OE2-N 3.43Å; E16-Q72 HydrophobicContact CG-CB 4.49Å; E16-Q72 WeakPolarHBondContact OE1-CB 3.49Å
17D84.1Confident76.1Confident73 Ų7383.4 Ų83.439%0.3941%0.41SS..  trans-116.296170.3-166.2-3000108.7W15 K38 K40W15-D17 PolarHBondContact O-N 3.47Å; D17-K38 WeakPolarHBondContact OD1-CE 3.27Å; D17-K38 IonicContact OD1-NZ 2.78Å; D17-K38 PolarHBondContact OD1-NZ 3.3Å; D17-K40 IonicContact OD1-NZ 3.74Å; D17-K40 WeakPolarHBondContact OD2-CE 3.49Å; D17-K40 IonicContact OD2-NZ 2.73Å; D17-K40 PolarHBondContact OD2-NZ 3.1Å
18A84.2Confident78.2Confident11 Ų1179.3 Ų79.39%0.09138%0.379CS..  trans-106153.1172.100000111E16 K38 F55E16-A18 WeakPolarHBondContact OE1-CB 3.5Å; A18-K38 WeakPolarHBondContact O-CE 3.35Å; A18-K38 PolarHBondContact O-NZ 3.25Å; A18-F55 WeakPolarHBondContact O-CZ 3.31Å
19D90Very high80.3Confident132 Ų13275.5 Ų75.571%0.70636%0.361SS*.SBendtrans-89.7-28.9179.2-70.2-32.9000113.9K38 F55D19-K38 IonicContact OD1-NZ 2.73Å; D19-K38 PolarHBondContact OD1-NZ 3.27Å; D19-F55 VanDerWaalsContact O-CE1 3.28Å; D19-F55 WeakPolarHBondContact O-CE1 3.27Å; D19-F55 WeakPolarHBondContact O-CZ 3.23Å
20F93.4Very high82.1Confident119 Ų11975.7 Ų75.752%0.52235%0.354SS..SBendtrans-139.5138.3-179.5-161.6-98.8000112.5M36 Q72F20-M36 HydrophobicContact CD2-CE 4.47Å; F20-M36 HydrophobicContact CD2-SD 4.27Å; F20-M36 HydrophobicContact CE2-CE 3.59Å; F20-M36 HydrophobicContact CE2-SD 3.94Å; F20-M36 HydrophobicContact CZ-CE 4.05Å; F20-Q72 PolarHBondContact O-NE2 3.18Å
21P95.3Very high84.3Confident4 Ų469.2 Ų69.23%0.02633%0.334CS..  trans-77.7153.1-178.831.8-35.8000112.9L23 F55 T68 Q82P21-L23 HydrophobicContact CB-CD1 4.02Å; P21-L23 HydrophobicContact CB-CD2 4.34Å; P21-L23 HydrophobicContact CB-CG 3.91Å; P21-L23 HydrophobicContact CG-CD1 3.58Å; P21-L23 HydrophobicContact CG-CG 3.98Å; P21-F55 HydrophobicContact CB-CB 4.16Å; P21-F55 HydrophobicContact CB-CD2 3.59Å; P21-F55 HydrophobicContact CB-CE2 4.12Å; P21-F55 HydrophobicContact CB-CG 3.92Å; P21-F55 HydrophobicContact CG-CB 3.92Å; P21-F55 HydrophobicContact CG-CD1 4.21Å; P21-F55 HydrophobicContact CG-CD2 3.94Å; P21-F55 HydrophobicContact CG-CE2 4.5Å; P21-F55 HydrophobicContact CG-CG 3.75Å; P21-T68 HydrophobicContact CB-CG2 3.71Å; P21-Q82 VanDerWaalsContact CA-OE1 3.28Å
22I95.5Very high86.2Confident36 Ų3670.4 Ų70.419%0.18535%0.346CS..  trans-90.5106.3173.3-59.7176.5000109Q72 S75 K76 Q82 L88I22-Q72 HydrophobicContact CD1-CG 3.39Å; I22-Q72 HydrophobicContact CG1-CG 3.92Å; I22-S75 WeakPolarHBondContact CG2-OG 3.32Å; I22-K76 HydrophobicContact CD1-CD 4.43Å; I22-K76 HydrophobicContact CD1-CG 3.73Å; I22-Q82 HydrophobicContact CB-CG 4.24Å; I22-Q82 VanDerWaalsContact N-OE1 3.12Å; I22-Q82 WeakPolarHBondContact O-CG 3.34Å; I22-Q82 PolarHBondContact O-N 3.26Å; I22-L88 HydrophobicContact CG2-CD1 3.37Å; I22-L88 HydrophobicContact CG2-CD2 4.2Å; I22-L88 HydrophobicContact CG2-CG 4.38Å
23L95.8Very high88.2Confident26 Ų2671.5 Ų71.514%0.13635%0.352CS..  trans-132.1152.5-171.6-59.9174.8000112.6P21 L28 W57 T68 Q82P21-L23 HydrophobicContact CB-CD1 4.02Å; P21-L23 HydrophobicContact CB-CD2 4.34Å; P21-L23 HydrophobicContact CB-CG 3.91Å; P21-L23 HydrophobicContact CG-CD1 3.58Å; P21-L23 HydrophobicContact CG-CG 3.98Å; L23-L28 HydrophobicContact CD1-CD1 4.02Å; L23-W57 HydrophobicContact CD1-CD2 4.42Å; L23-W57 HydrophobicContact CD1-CE3 4.31Å; L23-W57 HydrophobicContact CD1-CH2 3.36Å; L23-W57 HydrophobicContact CD1-CZ2 3.44Å; L23-W57 VanDerWaalsContact CD1-CZ2 3.44Å; L23-W57 HydrophobicContact CD1-CZ3 3.82Å; L23-W57 HydrophobicContact CD2-CH2 3.41Å; L23-W57 VanDerWaalsContact CD2-CH2 3.41Å; L23-W57 HydrophobicContact CD2-CZ2 3.87Å; L23-W57 HydrophobicContact CD2-CZ3 4.31Å; L23-W57 HydrophobicContact CG-CH2 4.03Å; L23-W57 HydrophobicContact CG-CZ2 4.27Å; L23-T68 HydrophobicContact CD2-CG2 4.34Å; L23-Q82 HydrophobicContact CD2-CB 4.34Å
24C95.1Very high90.1Very high21 Ų2165.7 Ų65.714%0.14233%0.325CS..  trans-91156169.373.60000112T26 C27 L28 C81 C84 L88C24-T26 VanDerWaalsContact C-N 3.28Å; C24-T26 PolarHBondContact O-N 3.2Å; C24-C27 PolarHBondContact O-N 3.07Å; C24-C27 PolarHBondContact SG-SG 3.27Å; C24-L28 PolarHBondContact O-N 3.28Å; C24-C81 HydrophobicContact CB-CB 4.1Å; C24-C81 PolarHBondContact N-SG 2.77Å; C24-C81 VanDerWaalsContact N-SG 3.44Å; C24-C84 VanDerWaalsContact SG-SG 3.62Å; C24-L88 HydrophobicContact CB-CD2 4.3Å
25Q93.8Very high91.4Very high137 Ų13774 Ų7464%0.6435%0.352SS*.Hα-helixtrans-54.8-41.3-178.2-61.2-57.6-24.600112.9C27 L28 G29Q25-C27 VanDerWaalsContact C-N 3.28Å; Q25-C27 PolarHBondContact O-N 3.42Å; Q25-L28 PolarHBondContact O-N 3.21Å; Q25-G29 PolarHBondContact O-N 3.28Å; Q25-G29 VanDerWaalsContact O-N 3.12Å
26T94.8Very high92.4Very high24 Ų2470.9 Ų70.915%0.14734%0.344CS..Hα-helixtrans-61.7-36.4176.8-61.40000112.2C24 P155 Y156 Y157 N160C24-T26 VanDerWaalsContact C-N 3.28Å; C24-T26 PolarHBondContact O-N 3.2Å; T26-P155 WeakPolarHBondContact OG1-CA 3.49Å; T26-Y156 VanDerWaalsContact CG2-C 3.47Å; T26-Y156 VanDerWaalsContact CG2-O 3.24Å; T26-Y156 WeakPolarHBondContact CG2-O 3.31Å; T26-Y156 PolarHBondContact OG1-N 3.16Å; T26-Y157 HydrophobicContact CG2-CD1 4.35Å; T26-N160 PolarHBondContact O-ND2 2.83Å; T26-N160 PolarHBondContact O-OD1 3.07Å
27C94.5Very high93.3Very high0 Ų073.9 Ų73.90%036%0.364CS..Hα-helixtrans-80.5-32.3-179.5-68.50000113C24 Q25 W57 K66 C84C24-C27 PolarHBondContact O-N 3.07Å; C24-C27 PolarHBondContact SG-SG 3.27Å; Q25-C27 VanDerWaalsContact C-N 3.28Å; Q25-C27 PolarHBondContact O-N 3.42Å; C27-W57 PolarHBondContact O-NE1 2.79Å; C27-K66 VanDerWaalsContact CB-NZ 3.34Å; C27-K66 PolarHBondContact SG-NZ 3.14Å; C27-C84 WeakPolarHBondContact SG-CB 3.43Å
28L94.9Very high93.8Very high34 Ų3474.1 Ų74.118%0.17836%0.361CS..Hα-helixtrans-67.2-44.6-179.2-170.757.4000110.3L23 C24 Q25 I34 W57 P59L23-L28 HydrophobicContact CD1-CD1 4.02Å; C24-L28 PolarHBondContact O-N 3.28Å; Q25-L28 PolarHBondContact O-N 3.21Å; L28-I34 HydrophobicContact CB-CD1 4.42Å; L28-I34 HydrophobicContact CD1-CD1 3.36Å; L28-I34 HydrophobicContact CD2-CD1 4.1Å; L28-I34 HydrophobicContact CG-CD1 3.29Å; L28-I34 WeakPolarHBondContact O-CD1 3.25Å; L28-W57 PolarHBondContact O-NE1 2.91Å; L28-P59 WeakPolarHBondContact O-CA 3.33Å
29G93.1Very high94.3Very high9 Ų978.5 Ų78.59%0.09338%0.38CS..  trans134.6-175.5175.100000112.5Q25 P59 Y157Q25-G29 PolarHBondContact O-N 3.28Å; Q25-G29 VanDerWaalsContact O-N 3.12Å; G29-P59 WeakPolarHBondContact CA-O 3.39Å; G29-Y157 PolarHBondContact O-OH 3.37Å
30E91.9Very high94.5Very high116 Ų11678 Ų7854%0.54237%0.371SS..SBendtrans-93.7-20.3170.267.3-166.4172.900112P32 P59 Y157E30-P32 WeakPolarHBondContact O-CD 3.42Å; E30-P59 PolarHBondContact N-O 3.47Å; E30-Y157 WeakPolarHBondContact CA-OH 3.48Å; E30-Y157 HydrophobicContact CB-CE1 4.37Å; E30-Y157 HydrophobicContact CB-CE2 3.9Å
31N92.3Very high94.3Very high78 Ų7876.2 Ų76.242%0.41736%0.362SS..  trans-80.9122.8-179.4-170.1-10.8000110.7Y33 I34N31-Y33 VanDerWaalsContact CG-O 3.3Å; N31-Y33 PolarHBondContact ND2-O 3.47Å; N31-Y33 PolarHBondContact O-N 3.05Å; N31-Y33 PolarHBondContact OD1-N 3.43Å; N31-Y33 PolarHBondContact OD1-O 3.26Å; N31-I34 WeakPolarHBondContact O-CD1 3.3Å; N31-I34 VanDerWaalsContact O-CG1 3.27Å; N31-I34 WeakPolarHBondContact O-CG1 3.39Å
32P94.2Very high94Very high112 Ų11277.3 Ų77.373%0.72737%0.374SS*.SBendtrans-63.9-25.8173.8-22.434.7000113.7E30E30-P32 WeakPolarHBondContact O-CD 3.42Å
33Y94.1Very high93.9Very high197 Ų19779.7 Ų79.777%0.77338%0.383SS*.SBendtrans-101.3106.9-178.4-56.9-75.9000110.5N31N31-Y33 VanDerWaalsContact CG-O 3.3Å; N31-Y33 PolarHBondContact ND2-O 3.47Å; N31-Y33 PolarHBondContact O-N 3.05Å; N31-Y33 PolarHBondContact OD1-N 3.43Å; N31-Y33 PolarHBondContact OD1-O 3.26Å
34I94.6Very high93.7Very high46 Ų4683.8 Ų83.824%0.23640%0.401CS..  trans-119134.2-172.3-59.7174.5000110.3L28 N31 M36 W57L28-I34 HydrophobicContact CB-CD1 4.42Å; L28-I34 HydrophobicContact CD1-CD1 3.36Å; L28-I34 HydrophobicContact CD2-CD1 4.1Å; L28-I34 HydrophobicContact CG-CD1 3.29Å; L28-I34 WeakPolarHBondContact O-CD1 3.25Å; N31-I34 WeakPolarHBondContact O-CD1 3.3Å; N31-I34 VanDerWaalsContact O-CG1 3.27Å; N31-I34 WeakPolarHBondContact O-CG1 3.39Å; I34-M36 HydrophobicContact CG2-CE 4.42Å; I34-W57 HydrophobicContact CG2-CB 3.88Å; I34-W57 HydrophobicContact CG2-CG 4.29Å
35R94.8Very high93.6Very high232 Ų23282.9 Ų82.988%0.87540%0.395SS*.  trans-99.7124168.3-62.6-175.4-66.2170.4-1.1108.5
36M96Very high93.5Very high62 Ų6280.4 Ų80.431%0.30538%0.382SS..EExtended strand (participates in β ladder)trans-129.1147.2177.265.1178.267.100111F20 I34 F55 R56 W57F20-M36 HydrophobicContact CD2-CE 4.47Å; F20-M36 HydrophobicContact CD2-SD 4.27Å; F20-M36 HydrophobicContact CE2-CE 3.59Å; F20-M36 HydrophobicContact CE2-SD 3.94Å; F20-M36 HydrophobicContact CZ-CE 4.05Å; I34-M36 HydrophobicContact CG2-CE 4.42Å; M36-F55 HydrophobicContact SD-CD1 4.07Å; M36-R56 CarbonylContact C-O 3.56Å; M36-R56 VanDerWaalsContact CA-O 3.3Å; M36-R56 WeakPolarHBondContact CA-O 3.27Å; M36-W57 HydrophobicContact CB-CB 3.94Å
37T96.1Very high93.4Very high83 Ų8379.7 Ų79.751%0.50938%0.377SS..EExtended strand (participates in β ladder)trans-103.3131.7172.457.80000109.2F55 R56T37-F55 WeakPolarHBondContact O-CA 3.36Å; T37-R56 PolarHBondContact N-O 3.48Å; T37-R56 PolarHBondContact O-N 2.96Å; T37-R56 PolarHBondContact OG1-O 3.42Å
38K96.3Very high93.1Very high77 Ų7779.8 Ų79.834%0.33538%0.378SS..EExtended strand (participates in β ladder)trans-96.6119.2172.3-179.7178.3173.61730108.7D17 A18 D19 T53 F55D17-K38 WeakPolarHBondContact OD1-CE 3.27Å; D17-K38 IonicContact OD1-NZ 2.78Å; D17-K38 PolarHBondContact OD1-NZ 3.3Å; A18-K38 WeakPolarHBondContact O-CE 3.35Å; A18-K38 PolarHBondContact O-NZ 3.25Å; D19-K38 IonicContact OD1-NZ 2.73Å; D19-K38 PolarHBondContact OD1-NZ 3.27Å; K38-T53 HydrophobicContact CD-CG2 4.18Å; K38-T53 HydrophobicContact CG-CG2 3.61Å; K38-F55 HydrophobicContact CB-CD1 4.23Å; K38-F55 HydrophobicContact CB-CE1 3.97Å; K38-F55 HydrophobicContact CD-CE1 4.1Å; K38-F55 HydrophobicContact CD-CZ 4.33Å; K38-F55 HydrophobicContact CG-CD1 4.45Å; K38-F55 HydrophobicContact CG-CE1 3.83Å; K38-F55 HydrophobicContact CG-CZ 4.23Å
39E94.7Very high92.8Very high104 Ų10480.5 Ų80.549%0.48639%0.389SS..EExtended strand (participates in β ladder)trans-114.4108.5174.9-174.3-178.2-178.700108.5Y41 V54E39-Y41 PolarHBondContact O-N 2.78Å; E39-V54 HydrophobicContact CB-CB 4.42Å; E39-V54 PolarHBondContact N-O 3.36Å; E39-V54 PolarHBondContact O-N 3.07Å
40K92.8Very high92.6Very high120 Ų12082.3 Ų82.352%0.52239%0.393SS..EExtended strand (participates in β ladder)trans-68.4126.8-179.8-65.2-164.4176.9-1550109.8D17 G42D17-K40 IonicContact OD1-NZ 3.74Å; D17-K40 WeakPolarHBondContact OD2-CE 3.49Å; D17-K40 IonicContact OD2-NZ 2.73Å; D17-K40 PolarHBondContact OD2-NZ 3.1Å; K40-G42 PolarHBondContact O-N 2.71Å; K40-G42 VanDerWaalsContact O-N 3.16Å
41Y89.3Confident92.6Very high83 Ų8379 Ų7933%0.32538%0.382SS..EExtended strand (participates in β ladder)trans54.231.1177.7-44.5-54.8000114.8W15 E16 E39 K43 F52W15-Y41 HydrophobicContact CB-CD1 3.7Å; W15-Y41 HydrophobicContact CB-CE1 3.16Å; W15-Y41 HydrophobicContact CD2-CD1 4.45Å; W15-Y41 HydrophobicContact CD2-CE1 4.45Å; W15-Y41 HydrophobicContact CE3-CD1 4.22Å; W15-Y41 AromaticContact CE3-CD2 3.74Å; W15-Y41 HydrophobicContact CE3-CD2 3.74Å; W15-Y41 HydrophobicContact CE3-CE1 4.2Å; W15-Y41 AromaticContact CE3-CE2 3.66Å; W15-Y41 HydrophobicContact CE3-CE2 3.66Å; W15-Y41 AromaticContact CE3-CG 3.99Å; W15-Y41 HydrophobicContact CE3-CG 3.99Å; W15-Y41 AromaticContact CE3-CZ 3.88Å; W15-Y41 HydrophobicContact CG-CD1 4.32Å; W15-Y41 HydrophobicContact CG-CE1 4.14Å; W15-Y41 HydrophobicContact CZ3-CD2 4.17Å; W15-Y41 HydrophobicContact CZ3-CE2 4.33Å; E16-Y41 VanDerWaalsContact O-CE1 3.25Å; E16-Y41 WeakPolarHBondContact O-CE1 3.47Å; E39-Y41 PolarHBondContact O-N 2.78Å; Y41-K43 PolarHBondContact O-N 2.79Å; Y41-F52 VanDerWaalsContact CA-O 3.32Å; Y41-F52 WeakPolarHBondContact CA-O 3.46Å; Y41-F52 PolarHBondContact N-O 2.86Å
42G89.3Confident92.6Very high27 Ų2775.4 Ų75.428%0.27836%0.362SS..EExtended strand (participates in β ladder)trans-70-29.3-173.300000114.4K40 F52K40-G42 PolarHBondContact O-N 2.71Å; K40-G42 VanDerWaalsContact O-N 3.16Å; G42-F52 PolarHBondContact N-O 3.16Å
43K92.6Very high92.6Very high86 Ų8670.1 Ų70.137%0.37433%0.328SS..EExtended strand (participates in β ladder)trans-144.6156.8-178.4-63.2-173.8-176.4-167.70112.2Y41 P51 F52 V54Y41-K43 PolarHBondContact O-N 2.79Å; K43-P51 WeakPolarHBondContact O-CA 3.42Å; K43-F52 HydrophobicContact CB-CE1 4.35Å; K43-F52 WeakPolarHBondContact O-CD1 3.15Å; K43-F52 PolarHBondContact O-N 3.38Å; K43-V54 HydrophobicContact CB-CG2 3.68Å; K43-V54 HydrophobicContact CD-CG2 4.4Å; K43-V54 HydrophobicContact CG-CG2 3.9Å
44E92.1Very high92.7Very high112 Ų11260.9 Ų60.952%0.52329%0.292SS..EExtended strand (participates in β ladder)trans-77.8142.9166.361.7179.7-172.700111.7
45C92.6Very high92.8Very high2 Ų258.9 Ų58.91%0.01428%0.282CS..  trans-65.5135.1174.2175.60000110.6I47 C48 A49 R50 F52 C71C45-I47 PolarHBondContact O-N 2.82Å; C45-I47 VanDerWaalsContact O-N 3.09Å; C45-I47 PolarHBondContact SG-N 2.78Å; C45-C48 WeakPolarHBondContact CB-SG 3.49Å; C45-C48 PolarHBondContact SG-SG 2.99Å; C45-A49 WeakPolarHBondContact O-CA 3.45Å; C45-A49 PolarHBondContact O-N 2.89Å; C45-R50 WeakPolarHBondContact CB-O 3.44Å; C45-R50 PolarHBondContact N-O 3.45Å; C45-F52 HydrophobicContact CB-CD1 3.97Å; C45-F52 HydrophobicContact CB-CE1 4.26Å; C45-C71 HydrophobicContact CB-CB 4.16Å; C45-C71 PolarHBondContact SG-N 3.3Å; C45-C71 VanDerWaalsContact SG-N 3.38Å
46K92.6Very high93Very high85 Ų8553.2 Ų53.237%0.3726%0.26SS..THydrogen-bonded Turntrans-67.5-9.7-179.4-60.9-57.5178.2-167.10115.4E69 I198K46-E69 HydrophobicContact CG-CB 4.49Å; K46-E69 WeakPolarHBondContact CG-O 3.17Å; K46-E69 PolarHBondContact N-O 3.44Å; K46-I198 HydrophobicContact CB-CD1 3.89Å; K46-I198 HydrophobicContact CB-CG2 4.06Å; K46-I198 HydrophobicContact CG-CD1 4Å
47I92.3Very high93Very high8 Ų850.3 Ų50.34%0.04125%0.246CC..THydrogen-bonded Turntrans-107.3-61.5179.5-54.2-55000111.2C45 V70 K199 Y202C45-I47 PolarHBondContact O-N 2.82Å; C45-I47 VanDerWaalsContact O-N 3.09Å; C45-I47 PolarHBondContact SG-N 2.78Å; I47-V70 HydrophobicContact CG1-CG1 3.79Å; I47-K199 HydrophobicContact CD1-CG 4.29Å; I47-Y202 HydrophobicContact CB-CD1 4.39Å; I47-Y202 HydrophobicContact CB-CE1 4.44Å; I47-Y202 VanDerWaalsContact CD1-CB 3.47Å; I47-Y202 HydrophobicContact CD1-CD1 3.78Å; I47-Y202 HydrophobicContact CD1-CD2 4.22Å; I47-Y202 HydrophobicContact CD1-CG 3.54Å; I47-Y202 HydrophobicContact CG1-CD1 3.83Å; I47-Y202 HydrophobicContact CG1-CD2 3.95Å; I47-Y202 HydrophobicContact CG1-CE1 4.21Å; I47-Y202 HydrophobicContact CG1-CE2 4.31Å; I47-Y202 HydrophobicContact CG1-CG 3.69Å; I47-Y202 HydrophobicContact CG2-CD1 3.67Å; I47-Y202 HydrophobicContact CG2-CE1 3.56Å; I47-Y202 HydrophobicContact CG2-CG 4.42Å
48C88.3Confident92.9Very high3 Ų348.7 Ų48.72%0.0224%0.237CC..THydrogen-bonded Turntrans-89.4-2.9-175.865.20000114.5C45 R50 C71 T118C45-C48 WeakPolarHBondContact CB-SG 3.49Å; C45-C48 PolarHBondContact SG-SG 2.99Å; C48-R50 PolarHBondContact O-N 2.83Å; C48-C71 VanDerWaalsContact SG-SG 3.61Å; C48-T118 HydrophobicContact CB-CG2 3.99Å
49A89.5Confident92.8Very high48 Ų4845 Ų4540%0.39722%0.222SC..  trans57.19-17700000115.3C45C45-A49 WeakPolarHBondContact O-CA 3.45Å; C45-A49 PolarHBondContact O-N 2.89Å
50R87.9Confident92.7Very high47 Ų4740.8 Ų40.818%0.17721%0.205CC..  trans-84.1139.5177.9-67.5171.961.4-168.6-14.2110.7N14 C45 C48 E122N14-R50 PolarHBondContact O-NH2 3.43Å; C45-R50 WeakPolarHBondContact CB-O 3.44Å; C45-R50 PolarHBondContact N-O 3.45Å; C48-R50 PolarHBondContact O-N 2.83Å; R50-E122 IonicContact CZ-OE1 2.76Å; R50-E122 IonicContact CZ-OE2 3.07Å; R50-E122 IonicContact NH1-OE1 2.89Å; R50-E122 IonicContact NH1-OE2 3.73Å; R50-E122 PolarHBondContact NH1-OE2 2.81Å; R50-E122 IonicContact NH2-OE1 2.81Å; R50-E122 PolarHBondContact NH2-OE1 2.94Å; R50-E122 IonicContact NH2-OE2 3.93Å; R50-E122 PolarHBondContact NH2-OE2 2.93Å
51P91.5Very high92.5Very high48 Ų4840.9 Ų40.931%0.31222%0.216SC..EExtended strand (participates in β ladder)trans-59.6139.9172.7-22.833.6000111.7K43K43-P51 WeakPolarHBondContact O-CA 3.42Å
52F93.6Very high92.4Very high1 Ų147.9 Ų47.90%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-144.9168.6-179.776.5-77.8000111.6E16 Y41 G42 K43 C45 V54 T68 V70 C71E16-F52 HydrophobicContact CB-CB 4.23Å; E16-F52 WeakPolarHBondContact OE2-CB 3.36Å; Y41-F52 VanDerWaalsContact CA-O 3.32Å; Y41-F52 WeakPolarHBondContact CA-O 3.46Å; Y41-F52 PolarHBondContact N-O 2.86Å; G42-F52 PolarHBondContact N-O 3.16Å; K43-F52 HydrophobicContact CB-CE1 4.35Å; K43-F52 WeakPolarHBondContact O-CD1 3.15Å; K43-F52 PolarHBondContact O-N 3.38Å; C45-F52 HydrophobicContact CB-CD1 3.97Å; C45-F52 HydrophobicContact CB-CE1 4.26Å; F52-V54 HydrophobicContact CE1-CG2 4.46Å; F52-V54 HydrophobicContact CE2-CG2 4.3Å; F52-V54 HydrophobicContact CZ-CG2 4.14Å; F52-V54 PolarHBondContact O-N 3.32Å; F52-T68 WeakPolarHBondContact CE2-OG1 3.5Å; F52-V70 WeakPolarHBondContact CE2-O 3.46Å; F52-C71 HydrophobicContact CB-CB 3.65Å; F52-C71 HydrophobicContact CD1-CB 4.48Å; F52-C71 HydrophobicContact CD2-CB 4.31Å; F52-C71 HydrophobicContact CG-CB 3.92Å
53T94.1Very high92.5Very high1 Ų148.5 Ų48.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-75121.6178.4-63.20000111.1E16 K38 F55E16-T53 PolarHBondContact O-N 2.9Å; E16-T53 PolarHBondContact O-OG1 3.14Å; E16-T53 PolarHBondContact OE2-N 3.43Å; K38-T53 HydrophobicContact CD-CG2 4.18Å; K38-T53 HydrophobicContact CG-CG2 3.61Å; T53-F55 HydrophobicContact CG2-CD2 4.29Å; T53-F55 HydrophobicContact CG2-CE1 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.65Å; T53-F55 HydrophobicContact CG2-CZ 3.74Å
54V96.3Very high92.6Very high4 Ų448.2 Ų48.22%0.02424%0.235CC..EExtended strand (participates in β ladder)trans-95.2124.3-179.4-177.50000109.8E39 K43 F52 K67 T68E39-V54 HydrophobicContact CB-CB 4.42Å; E39-V54 PolarHBondContact N-O 3.36Å; E39-V54 PolarHBondContact O-N 3.07Å; K43-V54 HydrophobicContact CB-CG2 3.68Å; K43-V54 HydrophobicContact CD-CG2 4.4Å; K43-V54 HydrophobicContact CG-CG2 3.9Å; F52-V54 HydrophobicContact CE1-CG2 4.46Å; F52-V54 HydrophobicContact CE2-CG2 4.3Å; F52-V54 HydrophobicContact CZ-CG2 4.14Å; F52-V54 PolarHBondContact O-N 3.32Å; V54-K67 HydrophobicContact CG1-CB 4.17Å; V54-T68 WeakPolarHBondContact CA-OG1 3.42Å
55F97.3Very high92.7Very high4 Ų448.4 Ų48.42%0.01823%0.234CC..EExtended strand (participates in β ladder)trans-102.8134.2170.6-63.1-89.7000108.7A18 D19 P21 M36 T37 K38 T53 W57 K67 T68A18-F55 WeakPolarHBondContact O-CZ 3.31Å; D19-F55 VanDerWaalsContact O-CE1 3.28Å; D19-F55 WeakPolarHBondContact O-CE1 3.27Å; D19-F55 WeakPolarHBondContact O-CZ 3.23Å; P21-F55 HydrophobicContact CB-CB 4.16Å; P21-F55 HydrophobicContact CB-CD2 3.59Å; P21-F55 HydrophobicContact CB-CE2 4.12Å; P21-F55 HydrophobicContact CB-CG 3.92Å; P21-F55 HydrophobicContact CG-CB 3.92Å; P21-F55 HydrophobicContact CG-CD1 4.21Å; P21-F55 HydrophobicContact CG-CD2 3.94Å; P21-F55 HydrophobicContact CG-CE2 4.5Å; P21-F55 HydrophobicContact CG-CG 3.75Å; M36-F55 HydrophobicContact SD-CD1 4.07Å; T37-F55 WeakPolarHBondContact O-CA 3.36Å; K38-F55 HydrophobicContact CB-CD1 4.23Å; K38-F55 HydrophobicContact CB-CE1 3.97Å; K38-F55 HydrophobicContact CD-CE1 4.1Å; K38-F55 HydrophobicContact CD-CZ 4.33Å; K38-F55 HydrophobicContact CG-CD1 4.45Å; K38-F55 HydrophobicContact CG-CE1 3.83Å; K38-F55 HydrophobicContact CG-CZ 4.23Å; T53-F55 HydrophobicContact CG2-CD2 4.29Å; T53-F55 HydrophobicContact CG2-CE1 4.43Å; T53-F55 HydrophobicContact CG2-CE2 3.65Å; T53-F55 HydrophobicContact CG2-CZ 3.74Å; F55-W57 HydrophobicContact CB-CE3 4.33Å; F55-W57 HydrophobicContact CB-CZ3 4.17Å; F55-W57 WeakPolarHBondContact O-CZ3 3.15Å; F55-K67 CarbonylContact O-C 3.58Å; F55-K67 WeakPolarHBondContact O-CA 3.5Å; F55-T68 HydrophobicContact CB-CG2 4.11Å; F55-T68 HydrophobicContact CD2-CG2 4.24Å; F55-T68 PolarHBondContact N-OG1 2.98Å; F55-T68 VanDerWaalsContact N-OG1 3.08Å; F55-T68 PolarHBondContact O-N 3.1Å; F55-T68 VanDerWaalsContact O-N 3.11Å
56R96.9Very high92.9Very high113 Ų11348.6 Ų48.643%0.42624%0.235SC..EExtended strand (participates in β ladder)trans-129.8129.2177.4-173.9176.5176.7-91.31.7110.6M36 T37 F65 K66 K67M36-R56 CarbonylContact C-O 3.56Å; M36-R56 VanDerWaalsContact CA-O 3.3Å; M36-R56 WeakPolarHBondContact CA-O 3.27Å; T37-R56 PolarHBondContact N-O 3.48Å; T37-R56 PolarHBondContact O-N 2.96Å; T37-R56 PolarHBondContact OG1-O 3.42Å; R56-F65 HydrophobicContact CG-CB 4.47Å; R56-F65 HydrophobicContact CG-CD1 4.5Å; R56-F65 VanDerWaalsContact NH2-CG 3.3Å; R56-K66 VanDerWaalsContact CA-O 3.32Å; R56-K66 WeakPolarHBondContact CA-O 3.34Å; R56-K67 HydrophobicContact CB-CB 4.33Å; R56-K67 HydrophobicContact CG-CB 4.38Å
57W96.6Very high93Very high1 Ų147.6 Ų47.60%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-145.2165.1-176.567.5101000111.7L23 C27 L28 I34 M36 F55 F65 K66 T68 T83L23-W57 HydrophobicContact CD1-CD2 4.42Å; L23-W57 HydrophobicContact CD1-CE3 4.31Å; L23-W57 HydrophobicContact CD1-CH2 3.36Å; L23-W57 HydrophobicContact CD1-CZ2 3.44Å; L23-W57 VanDerWaalsContact CD1-CZ2 3.44Å; L23-W57 HydrophobicContact CD1-CZ3 3.82Å; L23-W57 HydrophobicContact CD2-CH2 3.41Å; L23-W57 VanDerWaalsContact CD2-CH2 3.41Å; L23-W57 HydrophobicContact CD2-CZ2 3.87Å; L23-W57 HydrophobicContact CD2-CZ3 4.31Å; L23-W57 HydrophobicContact CG-CH2 4.03Å; L23-W57 HydrophobicContact CG-CZ2 4.27Å; C27-W57 PolarHBondContact O-NE1 2.79Å; L28-W57 PolarHBondContact O-NE1 2.91Å; I34-W57 HydrophobicContact CG2-CB 3.88Å; I34-W57 HydrophobicContact CG2-CG 4.29Å; M36-W57 HydrophobicContact CB-CB 3.94Å; F55-W57 HydrophobicContact CB-CE3 4.33Å; F55-W57 HydrophobicContact CB-CZ3 4.17Å; F55-W57 WeakPolarHBondContact O-CZ3 3.15Å; W57-F65 WeakPolarHBondContact O-CA 3.44Å; W57-K66 HydrophobicContact CD2-CB 4.49Å; W57-K66 HydrophobicContact CH2-CB 4.37Å; W57-K66 HydrophobicContact CZ2-CB 3.87Å; W57-K66 PolarHBondContact N-O 3.23Å; W57-K66 PolarHBondContact O-N 3.12Å; W57-T68 HydrophobicContact CH2-CG2 4.38Å; W57-T68 HydrophobicContact CZ3-CG2 4.11Å; W57-T83 VanDerWaalsContact CH2-OG1 3.32Å; W57-T83 WeakPolarHBondContact CH2-OG1 3.37Å
58C95Very high93.2Very high48 Ų4847.2 Ų47.232%0.32423%0.228SC..  trans-106.3115.9171.6-168.40000109.3G60 F65C58-G60 VanDerWaalsContact C-N 3.28Å; C58-G60 PolarHBondContact O-N 2.93Å; C58-G60 PolarHBondContact SG-O 3.27Å; C58-F65 HydrophobicContact CB-CD1 4.07Å; C58-F65 HydrophobicContact CB-CE1 3.8Å; C58-F65 HydrophobicContact CB-CZ 4.22Å
59P93.9Very high93.6Very high1 Ų149.1 Ų49.11%0.00624%0.237CC..  trans-68.2-21.2-177.1-22.233000115.4L28 G29 E30 M63 R64 K66 N160L28-P59 WeakPolarHBondContact O-CA 3.33Å; G29-P59 WeakPolarHBondContact CA-O 3.39Å; E30-P59 PolarHBondContact N-O 3.47Å; P59-M63 HydrophobicContact CB-CB 4.36Å; P59-M63 HydrophobicContact CB-CG 4.49Å; P59-M63 HydrophobicContact CG-CB 4.47Å; P59-R64 VanDerWaalsContact CD-O 3.25Å; P59-R64 WeakPolarHBondContact CD-O 3.34Å; P59-K66 HydrophobicContact CG-CB 4.34Å; P59-K66 HydrophobicContact CG-CD 3.59Å; P59-K66 HydrophobicContact CG-CG 3.8Å; P59-N160 HydrophobicContact CB-CB 4.39Å; P59-N160 HydrophobicContact CG-CB 4.3Å
60G91.4Very high93.8Very high14 Ų1446.9 Ų46.914%0.14422%0.218CC..SBendtrans173.9-177.5-175.200000112.7C58 M63C58-G60 VanDerWaalsContact C-N 3.28Å; C58-G60 PolarHBondContact O-N 2.93Å; C58-G60 PolarHBondContact SG-O 3.27Å; G60-M63 WeakPolarHBondContact O-CB 3.15Å; G60-M63 PolarHBondContact O-N 3.15Å
61T88.5Confident94.1Very high123 Ų12344.9 Ų44.976%0.75521%0.212SC*.THydrogen-bonded Turntrans-70.1134.2-179.8-48.50000110.1M63T61-M63 PolarHBondContact O-N 3.16Å
62R87.3Confident94.1Very high230 Ų23044.4 Ų44.487%0.86821%0.205SC*.THydrogen-bonded Turntrans59.921.2-174.6-56.7177.1-177.6178.2-0.3114.9P162R62-P162 WeakPolarHBondContact O-CD 3.32Å
63M92.3Very high94Very high39 Ų3945 Ų4519%0.19221%0.209CC..PPolyproline II helixtrans-95.1156.9172.8-59.8-63.4177.400110.8P59 G60 T61 N160P59-M63 HydrophobicContact CB-CB 4.36Å; P59-M63 HydrophobicContact CB-CG 4.49Å; P59-M63 HydrophobicContact CG-CB 4.47Å; G60-M63 WeakPolarHBondContact O-CB 3.15Å; G60-M63 PolarHBondContact O-N 3.15Å; T61-M63 PolarHBondContact O-N 3.16Å; M63-N160 HydrophobicContact CB-CB 4.33Å; M63-N160 HydrophobicContact CG-CB 4.25Å; M63-N160 HydrophobicContact SD-CB 3.62Å
64R93.9Very high93.9Very high80 Ų8045 Ų4530%0.30221%0.209SC..PPolyproline II helixtrans-75.6147171.881.3-178.9-178.8-142.612.7110.2P59 K66 N160 R161P59-R64 VanDerWaalsContact CD-O 3.25Å; P59-R64 WeakPolarHBondContact CD-O 3.34Å; R64-K66 HydrophobicContact CG-CG 4.21Å; R64-K66 PolarHBondContact O-N 2.79Å; R64-N160 WeakPolarHBondContact CG-O 3.23Å; R64-N160 PolarHBondContact N-O 3.07Å; R64-R161 WeakPolarHBondContact CD-O 3.25Å; R64-R161 PolarHBondContact NH1-O 3.49Å
65F94.8Very high93.7Very high117 Ų11744.8 Ų44.851%0.51321%0.208SC..PPolyproline II helixtrans-60122.6165.3-76.5-88.7000109.6R56 W57 C58R56-F65 HydrophobicContact CG-CB 4.47Å; R56-F65 HydrophobicContact CG-CD1 4.5Å; R56-F65 VanDerWaalsContact NH2-CG 3.3Å; W57-F65 WeakPolarHBondContact O-CA 3.44Å; C58-F65 HydrophobicContact CB-CD1 4.07Å; C58-F65 HydrophobicContact CB-CE1 3.8Å; C58-F65 HydrophobicContact CB-CZ 4.22Å
66K95.8Very high93.4Very high5 Ų546.6 Ų46.62%0.02222%0.216CC..EExtended strand (participates in β ladder)trans-99.7153.4175.3-64.2-171.5751730109.1C27 R56 W57 P59 R64 T83 N160C27-K66 VanDerWaalsContact CB-NZ 3.34Å; C27-K66 PolarHBondContact SG-NZ 3.14Å; R56-K66 VanDerWaalsContact CA-O 3.32Å; R56-K66 WeakPolarHBondContact CA-O 3.34Å; W57-K66 HydrophobicContact CD2-CB 4.49Å; W57-K66 HydrophobicContact CH2-CB 4.37Å; W57-K66 HydrophobicContact CZ2-CB 3.87Å; W57-K66 PolarHBondContact N-O 3.23Å; W57-K66 PolarHBondContact O-N 3.12Å; P59-K66 HydrophobicContact CG-CB 4.34Å; P59-K66 HydrophobicContact CG-CD 3.59Å; P59-K66 HydrophobicContact CG-CG 3.8Å; R64-K66 HydrophobicContact CG-CG 4.21Å; R64-K66 PolarHBondContact O-N 2.79Å; K66-T83 HydrophobicContact CB-CG2 4.49Å; K66-T83 VanDerWaalsContact CE-CG2 3.5Å; K66-N160 HydrophobicContact CD-CB 4.34Å; K66-N160 VanDerWaalsContact CD-OD1 3.29Å; K66-N160 WeakPolarHBondContact CD-OD1 3.47Å; K66-N160 PolarHBondContact NZ-OD1 3.25Å
67K96.2Very high93Very high65 Ų6541.7 Ų41.728%0.28320%0.197SC..EExtended strand (participates in β ladder)trans-139.6159.9176.168.4-170.8-178.1-158.30109.9V54 F55 R56 E69 T83V54-K67 HydrophobicContact CG1-CB 4.17Å; F55-K67 CarbonylContact O-C 3.58Å; F55-K67 WeakPolarHBondContact O-CA 3.5Å; R56-K67 HydrophobicContact CB-CB 4.33Å; R56-K67 HydrophobicContact CG-CB 4.38Å; K67-E69 WeakPolarHBondContact CE-OE1 3.32Å; K67-E69 WeakPolarHBondContact CG-OE1 3.49Å; K67-E69 IonicContact NZ-OE1 2.72Å; K67-T83 VanDerWaalsContact O-CG2 3.22Å; K67-T83 WeakPolarHBondContact O-CG2 3.45Å; K67-T83 PolarHBondContact O-OG1 3.07Å
68T96.8Very high92.7Very high0 Ų041.8 Ų41.80%020%0.198CC..  trans-68.9137.9169.348.90000110.3P21 L23 F52 V54 F55 W57 Q82P21-T68 HydrophobicContact CB-CG2 3.71Å; L23-T68 HydrophobicContact CD2-CG2 4.34Å; F52-T68 WeakPolarHBondContact CE2-OG1 3.5Å; V54-T68 WeakPolarHBondContact CA-OG1 3.42Å; F55-T68 HydrophobicContact CB-CG2 4.11Å; F55-T68 HydrophobicContact CD2-CG2 4.24Å; F55-T68 PolarHBondContact N-OG1 2.98Å; F55-T68 VanDerWaalsContact N-OG1 3.08Å; F55-T68 PolarHBondContact O-N 3.1Å; F55-T68 VanDerWaalsContact O-N 3.11Å; W57-T68 HydrophobicContact CH2-CG2 4.38Å; W57-T68 HydrophobicContact CZ3-CG2 4.11Å; T68-Q82 HydrophobicContact CG2-CB 3.86Å
69E95.4Very high92.5Very high43 Ų4341.3 Ų41.320%0.20119%0.192CC..  trans-112.1-22.6-178.3-58.4-64.8167.500112.3K46 K67 Q82 I198K46-E69 HydrophobicContact CG-CB 4.49Å; K46-E69 WeakPolarHBondContact CG-O 3.17Å; K46-E69 PolarHBondContact N-O 3.44Å; K67-E69 WeakPolarHBondContact CE-OE1 3.32Å; K67-E69 WeakPolarHBondContact CG-OE1 3.49Å; K67-E69 IonicContact NZ-OE1 2.72Å; E69-Q82 PolarHBondContact N-O 3.09Å; E69-I198 HydrophobicContact CB-CD1 4.26Å
70V95.3Very high92.6Very high0 Ų041.2 Ų41.20%019%0.192CC..SBendtrans-126153.1177.1-60.50000111.6I47 F52 C74 Q82 L85I47-V70 HydrophobicContact CG1-CG1 3.79Å; F52-V70 WeakPolarHBondContact CE2-O 3.46Å; V70-C74 HydrophobicContact CB-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CG 4.35Å; V70-Q82 PolarHBondContact N-O 3.4Å; V70-L85 HydrophobicContact CB-CD2 4.38Å; V70-L85 HydrophobicContact CG1-CD2 3.74Å; V70-L85 HydrophobicContact CG2-CD2 3.68Å
71C93.4Very high92.8Very high6 Ų640.6 Ų40.64%0.04119%0.185CC..  trans-69.1162.7177.969.90000112.4C45 C48 F52 T73 C74 S75C45-C71 HydrophobicContact CB-CB 4.16Å; C45-C71 PolarHBondContact SG-N 3.3Å; C45-C71 VanDerWaalsContact SG-N 3.38Å; C48-C71 VanDerWaalsContact SG-SG 3.61Å; F52-C71 HydrophobicContact CB-CB 3.65Å; F52-C71 HydrophobicContact CD1-CB 4.48Å; F52-C71 HydrophobicContact CD2-CB 4.31Å; F52-C71 HydrophobicContact CG-CB 3.92Å; C71-T73 VanDerWaalsContact C-N 3.29Å; C71-T73 PolarHBondContact O-N 2.83Å; C71-C74 PolarHBondContact O-N 2.79Å; C71-C74 PolarHBondContact SG-N 2.9Å; C71-C74 VanDerWaalsContact SG-N 3.36Å; C71-C74 PolarHBondContact SG-SG 2.95Å; C71-S75 PolarHBondContact O-N 3.41Å; C71-S75 VanDerWaalsContact O-N 3.08Å
72Q91.5Very high93.1Very high38 Ų3834.9 Ų34.918%0.17815%0.15CC..Hα-helixtrans-62.8-34.9178.8-155.9-174.264.500112.7E16 F20 I22 S75 K76 Q82E16-Q72 HydrophobicContact CG-CB 4.49Å; E16-Q72 WeakPolarHBondContact OE1-CB 3.49Å; F20-Q72 PolarHBondContact O-NE2 3.18Å; I22-Q72 HydrophobicContact CD1-CG 3.39Å; I22-Q72 HydrophobicContact CG1-CG 3.92Å; Q72-S75 PolarHBondContact O-N 3.5Å; Q72-K76 HydrophobicContact CG-CD 4.18Å; Q72-K76 HydrophobicContact CG-CG 4.41Å; Q72-K76 WeakPolarHBondContact O-CB 3.13Å; Q72-K76 WeakPolarHBondContact O-CG 3.49Å; Q72-K76 PolarHBondContact O-N 2.96Å; Q72-Q82 VanDerWaalsContact CA-NE2 3.3Å
73T90.9Very high93.5Very high13 Ų1324.9 Ų24.98%0.0811%0.114CC..Hα-helixtrans-58.9-50173.8-42.40000111.8C71 S75 K76 M77 T118 E122 I125C71-T73 VanDerWaalsContact C-N 3.29Å; C71-T73 PolarHBondContact O-N 2.83Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.42Å; T73-K76 PolarHBondContact O-N 2.83Å; T73-M77 VanDerWaalsContact O-CG 3.32Å; T73-M77 WeakPolarHBondContact O-CG 3.33Å; T73-M77 PolarHBondContact O-N 2.8Å; T73-T118 HydrophobicContact CG2-CG2 4.43Å; T73-E122 HydrophobicContact CG2-CB 3.86Å; T73-E122 HydrophobicContact CG2-CG 4.36Å; T73-I125 HydrophobicContact CG2-CD1 3.82Å
74C91.8Very high93.6Very high1 Ų123.3 Ų23.31%0.00711%0.107CC..Hα-helixtrans-64.2-34.2178.3-71.80000112.6V70 C71 M77 Y202V70-C74 HydrophobicContact CB-CB 4.25Å; C71-C74 PolarHBondContact O-N 2.79Å; C71-C74 PolarHBondContact SG-N 2.9Å; C71-C74 VanDerWaalsContact SG-N 3.36Å; C71-C74 PolarHBondContact SG-SG 2.95Å; C74-M77 HydrophobicContact CB-CE 4.34Å; C74-Y202 WeakPolarHBondContact CA-OH 3.48Å; C74-Y202 HydrophobicContact CB-CE2 4.25Å; C74-Y202 WeakPolarHBondContact O-CE2 3.36Å; C74-Y202 PolarHBondContact O-OH 3.46Å
75S93.3Very high93.7Very high0 Ų019.7 Ų19.70%09%0.094CC..Hα-helixtrans-69.5-44.5175.1163.70000112.2I22 C71 Q72 T73 K78 N79 V80I22-S75 WeakPolarHBondContact CG2-OG 3.32Å; C71-S75 PolarHBondContact O-N 3.41Å; C71-S75 VanDerWaalsContact O-N 3.08Å; Q72-S75 PolarHBondContact O-N 3.5Å; T73-S75 VanDerWaalsContact C-N 3.28Å; T73-S75 PolarHBondContact O-N 3.42Å; S75-K78 CarbonylContact O-C 3.58Å; S75-K78 PolarHBondContact O-N 3.22Å; S75-N79 WeakPolarHBondContact O-CA 3.44Å; S75-N79 PolarHBondContact O-N 2.84Å; S75-V80 WeakPolarHBondContact CB-O 3.18Å; S75-V80 PolarHBondContact O-N 2.86Å; S75-V80 PolarHBondContact OG-O 3.23Å
76K90.4Very high93.7Very high42 Ų4215 Ų1518%0.1837%0.074CC..Hα-helixtrans-67.3-40.7179.1-77.4174.5169.1170.80113.1I22 Q72 T73 K78 N79 I125 G130I22-K76 HydrophobicContact CD1-CD 4.43Å; I22-K76 HydrophobicContact CD1-CG 3.73Å; Q72-K76 HydrophobicContact CG-CD 4.18Å; Q72-K76 HydrophobicContact CG-CG 4.41Å; Q72-K76 WeakPolarHBondContact O-CB 3.13Å; Q72-K76 WeakPolarHBondContact O-CG 3.49Å; Q72-K76 PolarHBondContact O-N 2.96Å; T73-K76 PolarHBondContact O-N 2.83Å; K76-K78 PolarHBondContact O-N 3.38Å; K76-N79 PolarHBondContact O-N 3.46Å; K76-I125 HydrophobicContact CB-CD1 4.01Å; K76-I125 HydrophobicContact CD-CG2 3.81Å; K76-G130 WeakPolarHBondContact CE-O 3.28Å
77M88.4Confident93.6Very high9 Ų914.8 Ų14.84%0.0447%0.073CC..Hα-helixtrans-57.8-37.4177.1-74.2-172.5-64.600112.4T73 C74 Y117 M121 I125T73-M77 VanDerWaalsContact O-CG 3.32Å; T73-M77 WeakPolarHBondContact O-CG 3.33Å; T73-M77 PolarHBondContact O-N 2.8Å; C74-M77 HydrophobicContact CB-CE 4.34Å; M77-Y117 HydrophobicContact SD-CD1 4.47Å; M77-Y117 HydrophobicContact SD-CE1 4Å; M77-M121 HydrophobicContact CG-CB 4.07Å; M77-M121 HydrophobicContact CG-CE 4.25Å; M77-M121 HydrophobicContact CG-CG 4.36Å; M77-M121 HydrophobicContact SD-CB 3.51Å; M77-M121 VanDerWaalsContact SD-CB 3.51Å; M77-M121 HydrophobicContact SD-CG 3.63Å; M77-I125 HydrophobicContact CG-CD1 4.23Å
78K89.7Confident93.4Very high3 Ų314.7 Ų14.71%0.0138%0.075CC..THydrogen-bonded Turntrans-111.28.9-175.6-75.7-69.3-166.4175.70113.5S75 K76 V80 I94 R97 D98 I107 L137 Y202S75-K78 CarbonylContact O-C 3.58Å; S75-K78 PolarHBondContact O-N 3.22Å; K76-K78 PolarHBondContact O-N 3.38Å; K78-V80 VanDerWaalsContact C-N 3.32Å; K78-V80 HydrophobicContact CB-CG1 4.22Å; K78-V80 HydrophobicContact CB-CG2 4.2Å; K78-V80 VanDerWaalsContact O-CG1 3.25Å; K78-V80 WeakPolarHBondContact O-CG1 3.27Å; K78-V80 PolarHBondContact O-N 3.36Å; K78-I94 HydrophobicContact CB-CD1 4.46Å; K78-I94 HydrophobicContact CD-CG2 4.31Å; K78-R97 VanDerWaalsContact O-CZ 3.28Å; K78-R97 PolarHBondContact O-NH1 3.25Å; K78-R97 PolarHBondContact O-NH2 2.57Å; K78-D98 IonicContact NZ-OD2 2.6Å; K78-D98 PolarHBondContact NZ-OD2 3.36Å; K78-D98 VanDerWaalsContact NZ-OD2 3.07Å; K78-I107 HydrophobicContact CD-CD1 4.33Å; K78-I107 VanDerWaalsContact CE-CD1 3.44Å; K78-I107 HydrophobicContact CG-CD1 4.19Å; K78-L137 VanDerWaalsContact C-CD2 3.43Å; K78-Y202 HydrophobicContact CB-CE2 4.28Å; K78-Y202 HydrophobicContact CG-CE1 4.43Å; K78-Y202 HydrophobicContact CG-CE2 4.19Å
79N92.1Very high93.1Very high38 Ų3820.6 Ų20.620%0.20310%0.103CC..THydrogen-bonded Turntrans45.947.6-174.9-164.435.2000114.6S75 K76 L88 P133 L137S75-N79 WeakPolarHBondContact O-CA 3.44Å; S75-N79 PolarHBondContact O-N 2.84Å; K76-N79 PolarHBondContact O-N 3.46Å; N79-L88 PolarHBondContact O-N 3.31Å; N79-P133 HydrophobicContact CB-CB 4.14Å; N79-P133 HydrophobicContact CB-CG 4.47Å; N79-L137 HydrophobicContact CB-CD2 3.58Å
80V94.4Very high92.9Very high0 Ų019.1 Ų19.10%010%0.095CC..BIsolated β-bridgetrans-121154.5-174.7-65.70000113.6S75 K78 L86 I94 Y202S75-V80 WeakPolarHBondContact CB-O 3.18Å; S75-V80 PolarHBondContact O-N 2.86Å; S75-V80 PolarHBondContact OG-O 3.23Å; K78-V80 VanDerWaalsContact C-N 3.32Å; K78-V80 HydrophobicContact CB-CG1 4.22Å; K78-V80 HydrophobicContact CB-CG2 4.2Å; K78-V80 VanDerWaalsContact O-CG1 3.25Å; K78-V80 WeakPolarHBondContact O-CG1 3.27Å; K78-V80 PolarHBondContact O-N 3.36Å; V80-L86 CarbonylContact C-O 3.55Å; V80-L86 WeakPolarHBondContact CA-O 3.46Å; V80-L86 WeakPolarHBondContact CB-O 3.26Å; V80-I94 HydrophobicContact CG1-CD1 3.61Å; V80-I94 HydrophobicContact CG1-CG1 3.57Å; V80-Y202 HydrophobicContact CG2-CE2 4.37Å
81C96.2Very high92.8Very high0 Ų020.6 Ų20.60%011%0.111CC..  trans-66.4133.5171.2168.70000111.8C24 T83 C84 L85 L86 L88C24-C81 HydrophobicContact CB-CB 4.1Å; C24-C81 PolarHBondContact N-SG 2.77Å; C24-C81 VanDerWaalsContact N-SG 3.44Å; C81-T83 PolarHBondContact O-N 3.24Å; C81-T83 VanDerWaalsContact O-N 3.1Å; C81-C84 WeakPolarHBondContact CB-SG 3.28Å; C81-C84 PolarHBondContact SG-SG 3.22Å; C81-L85 WeakPolarHBondContact O-CA 3.14Å; C81-L85 PolarHBondContact O-N 3.48Å; C81-L86 PolarHBondContact N-O 3.19Å; C81-L88 HydrophobicContact CB-CD2 3.88Å
82Q95.9Very high92.8Very high3 Ų320.5 Ų20.51%0.01411%0.11CC..THydrogen-bonded Turntrans-63.1-18.1-176.3-73.3176.3-2400115.2P21 I22 L23 T68 E69 V70 Q72P21-Q82 VanDerWaalsContact CA-OE1 3.28Å; I22-Q82 HydrophobicContact CB-CG 4.24Å; I22-Q82 VanDerWaalsContact N-OE1 3.12Å; I22-Q82 WeakPolarHBondContact O-CG 3.34Å; I22-Q82 PolarHBondContact O-N 3.26Å; L23-Q82 HydrophobicContact CD2-CB 4.34Å; T68-Q82 HydrophobicContact CG2-CB 3.86Å; E69-Q82 PolarHBondContact N-O 3.09Å; V70-Q82 HydrophobicContact CG2-CB 4.25Å; V70-Q82 HydrophobicContact CG2-CG 4.35Å; V70-Q82 PolarHBondContact N-O 3.4Å; Q72-Q82 VanDerWaalsContact CA-NE2 3.3Å
83T95.4Very high93Very high21 Ų2119 Ų1913%0.12910%0.104CC..THydrogen-bonded Turntrans-105.3-42.9179.5-56.70000113.3W57 K66 K67 C81W57-T83 VanDerWaalsContact CH2-OG1 3.32Å; W57-T83 WeakPolarHBondContact CH2-OG1 3.37Å; K66-T83 HydrophobicContact CB-CG2 4.49Å; K66-T83 VanDerWaalsContact CE-CG2 3.5Å; K67-T83 VanDerWaalsContact O-CG2 3.22Å; K67-T83 WeakPolarHBondContact O-CG2 3.45Å; K67-T83 PolarHBondContact O-OG1 3.07Å; C81-T83 PolarHBondContact O-N 3.24Å; C81-T83 VanDerWaalsContact O-N 3.1Å
84C94.3Very high93.1Very high6 Ų618.4 Ų18.44%0.04110%0.1CC..THydrogen-bonded Turntrans-98-11.6-174.767.80000114.7C24 C27 C81 L86 R201C24-C84 VanDerWaalsContact SG-SG 3.62Å; C27-C84 WeakPolarHBondContact SG-CB 3.43Å; C81-C84 WeakPolarHBondContact CB-SG 3.28Å; C81-C84 PolarHBondContact SG-SG 3.22Å; C84-L86 HydrophobicContact CB-CG 4.36Å; C84-L86 PolarHBondContact O-N 2.85Å; C84-L86 VanDerWaalsContact O-N 3.13Å; C84-R201 PolarHBondContact O-NH2 3.23Å
85L95.1Very high93.2Very high3 Ų319.8 Ų19.82%0.01611%0.106CC..  trans55.723.2-176.4-50.9-179.4000113.5V70 C81 I198 Y202V70-L85 HydrophobicContact CB-CD2 4.38Å; V70-L85 HydrophobicContact CG1-CD2 3.74Å; V70-L85 HydrophobicContact CG2-CD2 3.68Å; C81-L85 WeakPolarHBondContact O-CA 3.14Å; C81-L85 PolarHBondContact O-N 3.48Å; L85-I198 HydrophobicContact CD1-CD1 4.13Å; L85-I198 HydrophobicContact CD1-CG1 3.43Å; L85-I198 VanDerWaalsContact CD1-CG1 3.43Å; L85-Y202 HydrophobicContact CD2-CD2 4.33Å
86L95.6Very high93.2Very high18 Ų1819.8 Ų19.89%0.09411%0.106CC..BIsolated β-bridgetrans-92.8152.8168.6-59.4-166.5000109.3V80 C81 C84 G91 L92 P93 R159V80-L86 CarbonylContact C-O 3.55Å; V80-L86 WeakPolarHBondContact CA-O 3.46Å; V80-L86 WeakPolarHBondContact CB-O 3.26Å; C81-L86 PolarHBondContact N-O 3.19Å; C84-L86 HydrophobicContact CB-CG 4.36Å; C84-L86 PolarHBondContact O-N 2.85Å; C84-L86 VanDerWaalsContact O-N 3.13Å; L86-G91 VanDerWaalsContact CD1-O 3.31Å; L86-G91 WeakPolarHBondContact CD1-O 3.23Å; L86-L92 WeakPolarHBondContact CA-O 3.47Å; L86-P93 HydrophobicContact CD2-CG 4.29Å; L86-R159 VanDerWaalsContact CD1-NH2 3.29Å
87D93.9Very high93.2Very high2 Ų217.9 Ų17.91%0.01110%0.098CC..BIsolated β-bridgetrans-55.9143.1172.8-17974.9000112.1E89 Y90 G91 L92 R97D87-E89 WeakPolarHBondContact OD2-CA 3.23Å; D87-E89 WeakPolarHBondContact OD2-CB 3.19Å; D87-E89 PolarHBondContact OD2-N 3.07Å; D87-Y90 WeakPolarHBondContact OD2-CD2 3.49Å; D87-Y90 PolarHBondContact OD2-N 3.02Å; D87-G91 VanDerWaalsContact O-CA 3.23Å; D87-G91 WeakPolarHBondContact O-CA 3.43Å; D87-G91 PolarHBondContact O-N 3.35Å; D87-G91 VanDerWaalsContact O-N 3.13Å; D87-L92 PolarHBondContact N-O 2.85Å; D87-R97 VanDerWaalsContact OD1-CD 3.26Å; D87-R97 WeakPolarHBondContact OD1-CD 3.41Å; D87-R97 IonicContact OD1-CZ 2.74Å; D87-R97 IonicContact OD1-NE 3.27Å; D87-R97 IonicContact OD1-NH1 3.1Å; D87-R97 PolarHBondContact OD1-NH1 3.04Å
88L92.2Very high93.3Very high62 Ų6218.3 Ų18.333%0.32510%0.1SC..THydrogen-bonded Turntrans-77.8-24.3-177.3-67.3171.7000113.5I22 C24 N79 C81I22-L88 HydrophobicContact CG2-CD1 3.37Å; I22-L88 HydrophobicContact CG2-CD2 4.2Å; I22-L88 HydrophobicContact CG2-CG 4.38Å; C24-L88 HydrophobicContact CB-CD2 4.3Å; N79-L88 PolarHBondContact O-N 3.31Å; C81-L88 HydrophobicContact CB-CD2 3.88Å
89E89.6Confident93.3Very high124 Ų12421.7 Ų21.758%0.57912%0.122SC*.THydrogen-bonded Turntrans-89.9-53.2-175.3-170.2178.7173.900111.2D87D87-E89 WeakPolarHBondContact OD2-CA 3.23Å; D87-E89 WeakPolarHBondContact OD2-CB 3.19Å; D87-E89 PolarHBondContact OD2-N 3.07Å
90Y91.3Very high93.1Very high12 Ų1220.6 Ų20.65%0.04712%0.119CC..THydrogen-bonded Turntrans-96.5-20-176.3-57.3-80.6000113.5D87 L92 S142 S143 L147 L148 A151D87-Y90 WeakPolarHBondContact OD2-CD2 3.49Å; D87-Y90 PolarHBondContact OD2-N 3.02Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 3.49Å; Y90-S142 PolarHBondContact OH-O 2.87Å; Y90-S143 WeakPolarHBondContact OH-CA 3.49Å; Y90-L147 HydrophobicContact CD1-CB 3.77Å; Y90-L147 HydrophobicContact CD2-CB 4.45Å; Y90-L147 HydrophobicContact CD2-CD1 4.31Å; Y90-L147 HydrophobicContact CE1-CB 3.87Å; Y90-L147 HydrophobicContact CE2-CD1 4.22Å; Y90-L147 HydrophobicContact CG-CB 4.09Å; Y90-L148 HydrophobicContact CE1-CD1 3.96Å; Y90-A151 HydrophobicContact CD1-CB 4.39Å; Y90-A151 WeakPolarHBondContact O-CB 3.48Å
91G92.8Very high92.7Very high32 Ų3221.2 Ų21.233%0.3312%0.122SC..  trans64.934.5-172.900000112.9L86 D87L86-G91 VanDerWaalsContact CD1-O 3.31Å; L86-G91 WeakPolarHBondContact CD1-O 3.23Å; D87-G91 VanDerWaalsContact O-CA 3.23Å; D87-G91 WeakPolarHBondContact O-CA 3.43Å; D87-G91 PolarHBondContact O-N 3.35Å; D87-G91 VanDerWaalsContact O-N 3.13Å
92L94.4Very high92.2Very high4 Ų427.2 Ų27.22%0.02116%0.159CC..  trans-110.8160-179.7-63.5178.8000111.8L86 D87 Y90 V96 L147 L150 L213L86-L92 WeakPolarHBondContact CA-O 3.47Å; D87-L92 PolarHBondContact N-O 2.85Å; Y90-L92 VanDerWaalsContact C-N 3.3Å; Y90-L92 PolarHBondContact O-N 3.49Å; L92-V96 HydrophobicContact CD1-CG1 4.22Å; L92-L147 HydrophobicContact CD1-CB 4.22Å; L92-L147 HydrophobicContact CD1-CD2 4Å; L92-L150 HydrophobicContact CD1-CB 3.9Å; L92-L150 HydrophobicContact CD2-CB 4.26Å; L92-L213 HydrophobicContact CD2-CD2 3.73Å
93P95.3Very high91.5Very high7 Ų727.8 Ų27.85%0.04516%0.163CC..BIsolated β-bridgetrans-61150.5171.2-20.932.8000112.2L86 Q95 V96 R97 V209 A210 L213L86-P93 HydrophobicContact CD2-CG 4.29Å; P93-Q95 VanDerWaalsContact C-N 3.34Å; P93-Q95 PolarHBondContact O-N 3.43Å; P93-V96 HydrophobicContact CB-CG2 4.18Å; P93-V96 HydrophobicContact CG-CG2 4.16Å; P93-V96 PolarHBondContact O-N 3.36Å; P93-V96 VanDerWaalsContact O-N 3.15Å; P93-R97 PolarHBondContact O-N 3.37Å; P93-R97 VanDerWaalsContact O-N 3.16Å; P93-V209 HydrophobicContact CG-CB 4.46Å; P93-V209 HydrophobicContact CG-CG1 4.03Å; P93-A210 HydrophobicContact CB-CB 4.07Å; P93-A210 HydrophobicContact CG-CB 4.47Å; P93-L213 HydrophobicContact CG-CD2 4.38Å
94I93.2Very high90.7Very high0 Ų034.6 Ų34.60%019%0.191CC..Hα-helixtrans-58.8-44.8-176.2-64.8170000111.2K78 V80 V96 R97 D98 Y202K78-I94 HydrophobicContact CB-CD1 4.46Å; K78-I94 HydrophobicContact CD-CG2 4.31Å; V80-I94 HydrophobicContact CG1-CD1 3.61Å; V80-I94 HydrophobicContact CG1-CG1 3.57Å; I94-V96 VanDerWaalsContact C-N 3.31Å; I94-V96 PolarHBondContact O-N 2.85Å; I94-R97 PolarHBondContact O-N 2.91Å; I94-D98 VanDerWaalsContact CG2-OD2 3.32Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.31Å; I94-D98 WeakPolarHBondContact O-CB 3.42Å; I94-D98 VanDerWaalsContact O-CG 3.28Å; I94-D98 PolarHBondContact O-N 2.91Å; I94-Y202 HydrophobicContact CD1-CD2 4.25Å; I94-Y202 WeakPolarHBondContact CD1-O 3.22Å
95Q92.9Very high89.9Confident29 Ų2935.4 Ų35.414%0.13620%0.195CC..Hα-helixtrans-58-40.5178.2-176.2-178-14.100112.7P93 T99 G204 D207 A210 D211P93-Q95 VanDerWaalsContact C-N 3.34Å; P93-Q95 PolarHBondContact O-N 3.43Å; Q95-T99 VanDerWaalsContact O-CB 3.32Å; Q95-T99 WeakPolarHBondContact O-CB 3.43Å; Q95-T99 PolarHBondContact O-N 3.36Å; Q95-T99 PolarHBondContact O-OG1 3.24Å; Q95-G204 WeakPolarHBondContact CB-O 3.17Å; Q95-G204 VanDerWaalsContact CG-O 3.31Å; Q95-G204 WeakPolarHBondContact CG-O 3.26Å; Q95-D207 VanDerWaalsContact OE1-N 3.08Å; Q95-A210 HydrophobicContact CB-CB 3.7Å; Q95-A210 HydrophobicContact CG-CB 4.05Å; Q95-D211 PolarHBondContact NE2-OD1 3.37Å
96V93.6Very high89.1Confident0 Ų042.1 Ų42.10%023%0.231CC..Hα-helixtrans-65.7-46.2178.5-178.70000110.3L92 P93 I94 G100 L147 L150 A210 L213 L214L92-V96 HydrophobicContact CD1-CG1 4.22Å; P93-V96 HydrophobicContact CB-CG2 4.18Å; P93-V96 HydrophobicContact CG-CG2 4.16Å; P93-V96 PolarHBondContact O-N 3.36Å; P93-V96 VanDerWaalsContact O-N 3.15Å; I94-V96 VanDerWaalsContact C-N 3.31Å; I94-V96 PolarHBondContact O-N 2.85Å; V96-G100 PolarHBondContact O-N 3.11Å; V96-L147 HydrophobicContact CG1-CD2 3.98Å; V96-L147 WeakPolarHBondContact O-CD2 3.31Å; V96-L150 HydrophobicContact CG1-CD1 3.73Å; V96-A210 HydrophobicContact CG2-CB 3.62Å; V96-L213 HydrophobicContact CG2-CB 3.83Å; V96-L213 HydrophobicContact CG2-CD2 4.18Å; V96-L214 HydrophobicContact CG1-CD2 4.31Å; V96-L214 HydrophobicContact CG2-CG 4.36Å
97R91.5Very high88.5Confident2 Ų242.2 Ų42.21%0.00823%0.231CC..Hα-helixtrans-63.3-50.7179.1-178.9-163.564.4-168-0111.4K78 D87 P93 I94 T99 G100 L101 L147K78-R97 VanDerWaalsContact O-CZ 3.28Å; K78-R97 PolarHBondContact O-NH1 3.25Å; K78-R97 PolarHBondContact O-NH2 2.57Å; D87-R97 VanDerWaalsContact OD1-CD 3.26Å; D87-R97 WeakPolarHBondContact OD1-CD 3.41Å; D87-R97 IonicContact OD1-CZ 2.74Å; D87-R97 IonicContact OD1-NE 3.27Å; D87-R97 IonicContact OD1-NH1 3.1Å; D87-R97 PolarHBondContact OD1-NH1 3.04Å; P93-R97 PolarHBondContact O-N 3.37Å; P93-R97 VanDerWaalsContact O-N 3.16Å; I94-R97 PolarHBondContact O-N 2.91Å; R97-T99 VanDerWaalsContact C-N 3.26Å; R97-T99 PolarHBondContact O-N 3.38Å; R97-G100 CarbonylContact O-C 3.57Å; R97-G100 PolarHBondContact O-N 3.35Å; R97-L101 HydrophobicContact CG-CD1 3.74Å; R97-L101 HydrophobicContact CG-CG 4.22Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 PolarHBondContact O-N 3.06Å; R97-L147 HydrophobicContact CB-CD1 4.36Å; R97-L147 HydrophobicContact CG-CD1 3.95Å
98D90.2Very high88.2Confident18 Ų1844 Ų4410%0.09624%0.242CC..Hα-helixtrans-63.7-36.1-176.1-68.19000110K78 I94 T102 V103K78-D98 IonicContact NZ-OD2 2.6Å; K78-D98 PolarHBondContact NZ-OD2 3.36Å; K78-D98 VanDerWaalsContact NZ-OD2 3.07Å; I94-D98 VanDerWaalsContact CG2-OD2 3.32Å; I94-D98 WeakPolarHBondContact CG2-OD2 3.31Å; I94-D98 WeakPolarHBondContact O-CB 3.42Å; I94-D98 VanDerWaalsContact O-CG 3.28Å; I94-D98 PolarHBondContact O-N 2.91Å; D98-T102 WeakPolarHBondContact O-CA 3.47Å; D98-T102 PolarHBondContact O-N 3.46Å; D98-V103 PolarHBondContact O-N 3.29Å
99T89.4Confident87.9Confident75 Ų7548.3 Ų48.346%0.4625%0.254SS..Hα-helixtrans-64.2-45.4170.1-55.30000112.1Q95 R97 T102 L214Q95-T99 VanDerWaalsContact O-CB 3.32Å; Q95-T99 WeakPolarHBondContact O-CB 3.43Å; Q95-T99 PolarHBondContact O-N 3.36Å; Q95-T99 PolarHBondContact O-OG1 3.24Å; R97-T99 VanDerWaalsContact C-N 3.26Å; R97-T99 PolarHBondContact O-N 3.38Å; T99-T102 PolarHBondContact O-N 2.85Å; T99-L214 HydrophobicContact CG2-CD2 3.98Å
100G87.3Confident87.9Confident15 Ų1545.2 Ų45.216%0.15525%0.247CC..Hα-helixtrans-73.8-22.5-178.400000115V96 R97 S144V96-G100 PolarHBondContact O-N 3.11Å; R97-G100 CarbonylContact O-C 3.57Å; R97-G100 PolarHBondContact O-N 3.35Å; G100-S144 VanDerWaalsContact O-CB 3.3Å; G100-S144 WeakPolarHBondContact O-CB 3.47Å; G100-S144 PolarHBondContact O-OG 3.1Å
101L87.2Confident87.4Confident12 Ų1249.6 Ų49.66%0.06327%0.271CS..Hα-helixtrans-96.5-5.3173.2-66.1179.6000112.7R97 V103 L137 A140 P141 L147R97-L101 HydrophobicContact CG-CD1 3.74Å; R97-L101 HydrophobicContact CG-CG 4.22Å; R97-L101 WeakPolarHBondContact O-CB 3.42Å; R97-L101 PolarHBondContact O-N 3.06Å; L101-V103 HydrophobicContact CB-CB 4.4Å; L101-V103 HydrophobicContact CB-CG2 3.69Å; L101-V103 PolarHBondContact O-N 3.42Å; L101-L137 HydrophobicContact CD1-CD1 4.19Å; L101-A140 HydrophobicContact CD1-CB 4.27Å; L101-P141 HydrophobicContact CD2-CG 4.49Å; L101-P141 WeakPolarHBondContact CD2-O 3.36Å; L101-L147 HydrophobicContact CD2-CD1 4.13Å; L101-L147 HydrophobicContact CG-CD1 3.9Å
102T84.7Confident87.2Confident126 Ų12653.2 Ų53.277%0.77329%0.286SS*.THydrogen-bonded Turntrans5330.9-172.857.50000113.4D98 T99D98-T102 WeakPolarHBondContact O-CA 3.47Å; D98-T102 PolarHBondContact O-N 3.46Å; T99-T102 PolarHBondContact O-N 2.85Å
103V82.7Confident86.9Confident15 Ų1557.3 Ų57.39%0.09131%0.308CS..  trans-91.3126.41791760000108.6D98 L101 Q136 A140D98-V103 PolarHBondContact O-N 3.29Å; L101-V103 HydrophobicContact CB-CB 4.4Å; L101-V103 HydrophobicContact CB-CG2 3.69Å; L101-V103 PolarHBondContact O-N 3.42Å; V103-Q136 HydrophobicContact CG1-CB 4.22Å; V103-A140 HydrophobicContact CG2-CB 3.44Å; V103-A140 VanDerWaalsContact CG2-CB 3.44Å
104K77.9Confident86.5Confident165 Ų16557.5 Ų57.572%0.71731%0.309SS*.  trans-113.884.9176-68.5-175.4179.6-179.80109.6D106 Q136K104-D106 PolarHBondContact O-N 3.48Å; K104-Q136 PolarHBondContact O-OE1 3.05Å
105D76.4Confident86.2Confident23 Ų2360.1 Ų60.112%0.12332%0.321CS..  trans-86.298.9173.1-89.8-39.9000110I107 Q136D105-I107 PolarHBondContact O-N 2.89Å; D105-I107 VanDerWaalsContact O-N 3.14Å; D105-Q136 VanDerWaalsContact OD1-CB 3.27Å; D105-Q136 WeakPolarHBondContact OD1-CB 3.48Å; D105-Q136 WeakPolarHBondContact OD1-CG 3.32Å
106D79.1Confident85.9Confident144 Ų14465.8 Ų65.877%0.7734%0.342SS*.  trans-82.884.9177.8-69.5-39.3000111.1K104K104-D106 PolarHBondContact O-N 3.48Å
107I83.6Confident85.7Confident19 Ų1968.6 Ų68.610%0.09735%0.353CS..  trans-78.3126.7172.1-57.2175.7000109.2K78 D105 Y117 Y202 Y203K78-I107 HydrophobicContact CD-CD1 4.33Å; K78-I107 VanDerWaalsContact CE-CD1 3.44Å; K78-I107 HydrophobicContact CG-CD1 4.19Å; D105-I107 PolarHBondContact O-N 2.89Å; D105-I107 VanDerWaalsContact O-N 3.14Å; I107-Y117 HydrophobicContact CG1-CE1 4.09Å; I107-Y117 HydrophobicContact CG2-CD1 4.08Å; I107-Y117 HydrophobicContact CG2-CE1 4.15Å; I107-Y202 HydrophobicContact CD1-CE1 4.14Å; I107-Y203 HydrophobicContact CB-CD1 4.21Å; I107-Y203 HydrophobicContact CB-CE1 4.03Å; I107-Y203 HydrophobicContact CG2-CD1 4.48Å; I107-Y203 HydrophobicContact CG2-CE1 3.8Å
108P87.7Confident85.5Confident39 Ų3968.7 Ų68.725%0.25335%0.354SS..  trans-60.6141.4176.8-22.532.8000112.8N113 K114 Y117P108-N113 HydrophobicContact CB-CB 3.65Å; P108-N113 HydrophobicContact CG-CB 4.28Å; P108-K114 WeakPolarHBondContact O-CB 3.14Å; P108-Y117 HydrophobicContact CG-CD2 4.31Å; P108-Y117 HydrophobicContact CG-CG 4.28Å
109R84.9Confident85.4Confident153 Ų15370.3 Ų70.358%0.57736%0.361SS*.  trans-100.6-31-179.3-59.1-173.2-163.6166.514.3114.2I205R109-I205 VanDerWaalsContact CZ-CD1 3.45Å; R109-I205 VanDerWaalsContact NH2-CG1 3.28Å
110S89.1Confident85.4Confident60 Ų6068.6 Ų68.642%0.4235%0.349SS..SBendtrans-58.2138.9175.253.80000110V112 N113 K114S110-V112 PolarHBondContact O-N 3.43Å; S110-N113 PolarHBondContact O-N 3.18Å; S110-N113 VanDerWaalsContact OG-CB 3.26Å; S110-N113 WeakPolarHBondContact OG-CB 3.31Å; S110-N113 PolarHBondContact OG-ND2 3.41Å; S110-K114 WeakPolarHBondContact O-CB 3.41Å; S110-K114 PolarHBondContact O-N 2.85Å
111D82.6Confident85.4Confident104 Ų10468.5 Ų68.556%0.55634%0.344SS*.Hα-helixtrans-56.9-50.1-167.6-65.9-46.2000113.5K114 E115D111-K114 WeakPolarHBondContact O-CB 3.25Å; D111-K114 PolarHBondContact O-N 2.94Å; D111-K114 IonicContact OD1-NZ 3.35Å; D111-K114 PolarHBondContact OD1-NZ 3.27Å; D111-E115 WeakPolarHBondContact O-CG 3.39Å; D111-E115 PolarHBondContact O-N 3.48Å
112V87.5Confident85.4Confident108 Ų10869.1 Ų69.166%0.65535%0.347SS*.Hα-helixtrans-64.5-47.3-179.3-176.90000112.2S110 K114 E115 Y116S110-V112 PolarHBondContact O-N 3.43Å; V112-K114 VanDerWaalsContact C-N 3.29Å; V112-K114 PolarHBondContact O-N 3.21Å; V112-E115 PolarHBondContact O-N 2.92Å; V112-Y116 WeakPolarHBondContact O-CB 3.3Å; V112-Y116 PolarHBondContact O-N 2.96Å
113N88.6Confident85.5Confident90 Ų9069.1 Ų69.148%0.48133%0.333SS..Hα-helixtrans-67.5-33.1-178.9-59.8-33.3000112P108 S110 Y117P108-N113 HydrophobicContact CB-CB 3.65Å; P108-N113 HydrophobicContact CG-CB 4.28Å; S110-N113 PolarHBondContact O-N 3.18Å; S110-N113 VanDerWaalsContact OG-CB 3.26Å; S110-N113 WeakPolarHBondContact OG-CB 3.31Å; S110-N113 PolarHBondContact OG-ND2 3.41Å; N113-Y117 WeakPolarHBondContact O-CB 3.49Å; N113-Y117 PolarHBondContact O-N 3.17Å
114K87.1Confident85.7Confident11 Ų1172.9 Ų72.95%0.04835%0.349CS..Hα-helixtrans-64.9-43.8175.6176-175.168.4-150.90110.9P108 S110 D111 V112 T118 Y203P108-K114 WeakPolarHBondContact O-CB 3.14Å; S110-K114 WeakPolarHBondContact O-CB 3.41Å; S110-K114 PolarHBondContact O-N 2.85Å; D111-K114 WeakPolarHBondContact O-CB 3.25Å; D111-K114 PolarHBondContact O-N 2.94Å; D111-K114 IonicContact OD1-NZ 3.35Å; D111-K114 PolarHBondContact OD1-NZ 3.27Å; V112-K114 VanDerWaalsContact C-N 3.29Å; V112-K114 PolarHBondContact O-N 3.21Å; K114-T118 VanDerWaalsContact O-CB 3.31Å; K114-T118 WeakPolarHBondContact O-CB 3.42Å; K114-T118 PolarHBondContact O-N 3.25Å; K114-T118 PolarHBondContact O-OG1 2.87Å; K114-Y203 WeakPolarHBondContact CD-OH 3.19Å
115E85.4Confident86.1Confident54 Ų5465.7 Ų65.725%0.25232%0.319SS..Hα-helixtrans-64.4-48.3177-72.5164.2-175.600111.4N8 D111 V112 Y117 T118 Q119N8-E115 PolarHBondContact ND2-OE1 3.46Å; D111-E115 WeakPolarHBondContact O-CG 3.39Å; D111-E115 PolarHBondContact O-N 3.48Å; V112-E115 PolarHBondContact O-N 2.92Å; E115-Y117 PolarHBondContact O-N 2.95Å; E115-T118 PolarHBondContact O-N 2.9Å; E115-Q119 WeakPolarHBondContact O-CB 2.68Å; E115-Q119 PolarHBondContact O-N 3.12Å
116Y88.5Confident86.5Confident148 Ų14868.4 Ų68.458%0.5834%0.344SS*.Hα-helixtrans-57.8-47.5175.9178.9-100.1000112.1V112 T118 Q119 N120V112-Y116 WeakPolarHBondContact O-CB 3.3Å; V112-Y116 PolarHBondContact O-N 2.96Å; Y116-T118 PolarHBondContact O-N 2.81Å; Y116-Q119 PolarHBondContact O-N 2.98Å; Y116-N120 WeakPolarHBondContact CE1-ND2 3.38Å; Y116-N120 PolarHBondContact O-N 3.15Å; Y116-N120 PolarHBondContact OH-ND2 3.18Å
117Y89.1Confident86.9Confident59 Ų5968.1 Ų68.123%0.23134%0.343CS..Hα-helixtrans-60.6-46.8176.5-177.3-91.3000111.4M77 I107 P108 N113 E115 Q119 N120 M121M77-Y117 HydrophobicContact SD-CD1 4.47Å; M77-Y117 HydrophobicContact SD-CE1 4Å; I107-Y117 HydrophobicContact CG1-CE1 4.09Å; I107-Y117 HydrophobicContact CG2-CD1 4.08Å; I107-Y117 HydrophobicContact CG2-CE1 4.15Å; P108-Y117 HydrophobicContact CG-CD2 4.31Å; P108-Y117 HydrophobicContact CG-CG 4.28Å; N113-Y117 WeakPolarHBondContact O-CB 3.49Å; N113-Y117 PolarHBondContact O-N 3.17Å; E115-Y117 PolarHBondContact O-N 2.95Å; Y117-Q119 VanDerWaalsContact C-N 3.31Å; Y117-Q119 PolarHBondContact O-N 3.19Å; Y117-N120 PolarHBondContact O-N 3.17Å; Y117-M121 HydrophobicContact CD1-CG 3.89Å; Y117-M121 HydrophobicContact CE1-CG 3.48Å; Y117-M121 VanDerWaalsContact CE1-CG 3.48Å; Y117-M121 HydrophobicContact CE1-SD 4.34Å; Y117-M121 HydrophobicContact CE2-CG 4.33Å; Y117-M121 HydrophobicContact CE2-SD 4.45Å; Y117-M121 HydrophobicContact CG-CG 4.46Å; Y117-M121 WeakPolarHBondContact O-CG 3.32Å; Y117-M121 PolarHBondContact O-N 2.97Å
118T87.2Confident86.9Confident4 Ų469.4 Ų69.43%0.02535%0.353CS..Hα-helixtrans-62.4-38.4179.3-55.90000111.7C48 T73 K114 E115 Y116 E122C48-T118 HydrophobicContact CB-CG2 3.99Å; T73-T118 HydrophobicContact CG2-CG2 4.43Å; K114-T118 VanDerWaalsContact O-CB 3.31Å; K114-T118 WeakPolarHBondContact O-CB 3.42Å; K114-T118 PolarHBondContact O-N 3.25Å; K114-T118 PolarHBondContact O-OG1 2.87Å; E115-T118 PolarHBondContact O-N 2.9Å; Y116-T118 PolarHBondContact O-N 2.81Å; T118-E122 VanDerWaalsContact O-CB 3.26Å; T118-E122 WeakPolarHBondContact O-CB 3.4Å; T118-E122 PolarHBondContact O-N 3.01Å
119Q87.6Confident86.6Confident53 Ų5374.3 Ų74.325%0.24838%0.377CS..Hα-helixtrans-66.7-40176.8-174.2175.526.300112.1N11 E115 Y116 Y117 R123N11-Q119 PolarHBondContact ND2-NE2 3.35Å; E115-Q119 WeakPolarHBondContact O-CB 2.68Å; E115-Q119 PolarHBondContact O-N 3.12Å; Y116-Q119 PolarHBondContact O-N 2.98Å; Y117-Q119 VanDerWaalsContact C-N 3.31Å; Y117-Q119 PolarHBondContact O-N 3.19Å; Q119-R123 PolarHBondContact O-N 3.15Å; Q119-R123 VanDerWaalsContact O-N 3.11Å
120N89Confident86.2Confident39 Ų3968.2 Ų68.221%0.20936%0.362CS..Hα-helixtrans-66.3-45.4175.4-75.7-12.5000112.1Y116 Y117 E122 R123 E124Y116-N120 WeakPolarHBondContact CE1-ND2 3.38Å; Y116-N120 PolarHBondContact O-N 3.15Å; Y116-N120 PolarHBondContact OH-ND2 3.18Å; Y117-N120 PolarHBondContact O-N 3.17Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-E122 PolarHBondContact O-N 3.09Å; N120-R123 PolarHBondContact O-N 3.37Å; N120-R123 PolarHBondContact OD1-NH1 2.9Å; N120-R123 PolarHBondContact OD1-NH2 3.05Å; N120-E124 PolarHBondContact O-N 3.15Å
121M87.1Confident85.8Confident13 Ų1370.6 Ų70.66%0.06438%0.375CS..Hα-helixtrans-65.3-37.4177.2-69.4-54.4-55.300112.2M77 Y117 E124 I125 V134M77-M121 HydrophobicContact CG-CB 4.07Å; M77-M121 HydrophobicContact CG-CE 4.25Å; M77-M121 HydrophobicContact CG-CG 4.36Å; M77-M121 HydrophobicContact SD-CB 3.51Å; M77-M121 VanDerWaalsContact SD-CB 3.51Å; M77-M121 HydrophobicContact SD-CG 3.63Å; Y117-M121 HydrophobicContact CD1-CG 3.89Å; Y117-M121 HydrophobicContact CE1-CG 3.48Å; Y117-M121 VanDerWaalsContact CE1-CG 3.48Å; Y117-M121 HydrophobicContact CE1-SD 4.34Å; Y117-M121 HydrophobicContact CE2-CG 4.33Å; Y117-M121 HydrophobicContact CE2-SD 4.45Å; Y117-M121 HydrophobicContact CG-CG 4.46Å; Y117-M121 WeakPolarHBondContact O-CG 3.32Å; Y117-M121 PolarHBondContact O-N 2.97Å; M121-E124 PolarHBondContact O-N 3.31Å; M121-I125 WeakPolarHBondContact O-CB 3.37Å; M121-I125 WeakPolarHBondContact O-CD1 3.46Å; M121-I125 WeakPolarHBondContact O-CG1 3.39Å; M121-I125 PolarHBondContact O-N 3.01Å; M121-V134 HydrophobicContact CE-CB 4.07Å; M121-V134 HydrophobicContact CE-CG2 3.35Å
122E86.9Confident85.7Confident25 Ų2574.6 Ų74.612%0.11738%0.382CS..Hα-helixtrans-62.9-42.6174.5-176.3-179.8-142.400112N14 R50 T73 T118 N120 E124 I125 A126N14-E122 WeakPolarHBondContact CB-OE2 3.48Å; N14-E122 PolarHBondContact ND2-OE2 3.42Å; R50-E122 IonicContact CZ-OE1 2.76Å; R50-E122 IonicContact CZ-OE2 3.07Å; R50-E122 IonicContact NH1-OE1 2.89Å; R50-E122 IonicContact NH1-OE2 3.73Å; R50-E122 PolarHBondContact NH1-OE2 2.81Å; R50-E122 IonicContact NH2-OE1 2.81Å; R50-E122 PolarHBondContact NH2-OE1 2.94Å; R50-E122 IonicContact NH2-OE2 3.93Å; R50-E122 PolarHBondContact NH2-OE2 2.93Å; T73-E122 HydrophobicContact CG2-CB 3.86Å; T73-E122 HydrophobicContact CG2-CG 4.36Å; T118-E122 VanDerWaalsContact O-CB 3.26Å; T118-E122 WeakPolarHBondContact O-CB 3.4Å; T118-E122 PolarHBondContact O-N 3.01Å; N120-E122 VanDerWaalsContact C-N 3.34Å; N120-E122 PolarHBondContact O-N 3.09Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E122-I125 PolarHBondContact O-N 3.37Å; E122-A126 WeakPolarHBondContact O-CB 3.24Å; E122-A126 PolarHBondContact O-N 3.13Å
123R87.8Confident85.2Confident126 Ų12671.1 Ų71.148%0.47536%0.362SS..Hα-helixtrans-63.3-41.3174.5-176.217764.8-101.20.9111.5Q119 N120 A126 N127Q119-R123 PolarHBondContact O-N 3.15Å; Q119-R123 VanDerWaalsContact O-N 3.11Å; N120-R123 PolarHBondContact O-N 3.37Å; N120-R123 PolarHBondContact OD1-NH1 2.9Å; N120-R123 PolarHBondContact OD1-NH2 3.05Å; R123-A126 PolarHBondContact O-N 3.41Å; R123-N127 WeakPolarHBondContact O-CB 3.3Å; R123-N127 PolarHBondContact O-N 3.05Å; R123-N127 PolarHBondContact O-ND2 2.68Å; R123-N127 PolarHBondContact O-OD1 3.21Å
124E86.3Confident84.7Confident93 Ų9367.5 Ų67.544%0.43534%0.343SS..Hα-helixtrans-63.7-42.7175.1-171.4-178.9157.900111.7N120 M121 E122 N127 S128N120-E124 PolarHBondContact O-N 3.15Å; M121-E124 PolarHBondContact O-N 3.31Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E124-N127 CarbonylContact O-C 3.59Å; E124-N127 PolarHBondContact O-N 2.96Å; E124-S128 WeakPolarHBondContact O-CB 3.17Å; E124-S128 PolarHBondContact O-N 3.2Å
125I86.5Confident84.3Confident15 Ų1568.1 Ų68.18%0.07735%0.352CS..Hα-helixtrans-63.1-43.8175.9-71163.6000110.7T73 K76 M77 M121 E122 N127 S128 V134T73-I125 HydrophobicContact CG2-CD1 3.82Å; K76-I125 HydrophobicContact CB-CD1 4.01Å; K76-I125 HydrophobicContact CD-CG2 3.81Å; M77-I125 HydrophobicContact CG-CD1 4.23Å; M121-I125 WeakPolarHBondContact O-CB 3.37Å; M121-I125 WeakPolarHBondContact O-CD1 3.46Å; M121-I125 WeakPolarHBondContact O-CG1 3.39Å; M121-I125 PolarHBondContact O-N 3.01Å; E122-I125 PolarHBondContact O-N 3.37Å; I125-N127 PolarHBondContact O-N 3.48Å; I125-S128 WeakPolarHBondContact CA-OG 3.33Å; I125-S128 PolarHBondContact O-N 3.27Å; I125-S128 PolarHBondContact O-OG 2.74Å; I125-V134 HydrophobicContact CD1-CG2 3.75Å; I125-V134 HydrophobicContact CG1-CB 4.18Å; I125-V134 HydrophobicContact CG1-CG1 3.75Å; I125-V134 HydrophobicContact CG1-CG2 3.39Å
126A85.5Confident83.7Confident80 Ų8070.5 Ų70.566%0.66136%0.363SS*.Hα-helixtrans-63.9-31.8177.800000112.4E122 R123 S128E122-A126 WeakPolarHBondContact O-CB 3.24Å; E122-A126 PolarHBondContact O-N 3.13Å; R123-A126 PolarHBondContact O-N 3.41Å; A126-S128 VanDerWaalsContact C-N 3.31Å
127N86.6Confident83Confident137 Ų13764.2 Ų64.273%0.73334%0.339SS*.Hα-helixtrans-81.6-10174.4-67.1-11.9000113.3R123 E124 I125R123-N127 WeakPolarHBondContact O-CB 3.3Å; R123-N127 PolarHBondContact O-N 3.05Å; R123-N127 PolarHBondContact O-ND2 2.68Å; R123-N127 PolarHBondContact O-OD1 3.21Å; E124-N127 CarbonylContact O-C 3.59Å; E124-N127 PolarHBondContact O-N 2.96Å; I125-N127 PolarHBondContact O-N 3.48Å
128S83.7Confident82.1Confident46 Ų4662.6 Ų62.632%0.32234%0.341SS..SBendtrans-95.8167.1177.879.60000111.4E124 I125 A126 G130E124-S128 WeakPolarHBondContact O-CB 3.17Å; E124-S128 PolarHBondContact O-N 3.2Å; I125-S128 WeakPolarHBondContact CA-OG 3.33Å; I125-S128 PolarHBondContact O-N 3.27Å; I125-S128 PolarHBondContact O-OG 2.74Å; A126-S128 VanDerWaalsContact C-N 3.31Å; S128-G130 PolarHBondContact O-N 3.27Å; S128-G130 PolarHBondContact OG-N 3Å
129D82.3Confident81.4Confident142 Ų14271.2 Ų71.276%0.75938%0.378SS*.  trans-62.3-8.3173.8-178.450.7000113.7T131D129-T131 PolarHBondContact O-N 2.81Å; D129-T131 PolarHBondContact O-OG1 3.46Å; D129-T131 WeakPolarHBondContact OD2-CB 3.1Å; D129-T131 PolarHBondContact OD2-OG1 2.71Å
130G76.6Confident80.5Confident25 Ų2569.8 Ų69.826%0.25838%0.375SS..SBendtrans71-3.7174.800000115.6K76 S128K76-G130 WeakPolarHBondContact CE-O 3.28Å; S128-G130 PolarHBondContact O-N 3.27Å; S128-G130 PolarHBondContact OG-N 3Å
131T80.3Confident79.5Confident111 Ų11172 Ų7268%0.68139%0.392SS*.SBendtrans-88.8-35.9-179.2-51.30000113.3D129D129-T131 PolarHBondContact O-N 2.81Å; D129-T131 PolarHBondContact O-OG1 3.46Å; D129-T131 WeakPolarHBondContact OD2-CB 3.1Å; D129-T131 PolarHBondContact OD2-OG1 2.71Å
132R79.5Confident78.5Confident188 Ų18876 Ų7671%0.70942%0.422SS*.SBendtrans-100149.1-176.1-65.2-178.972.9167.60.8111.2V134R132-V134 PolarHBondContact O-N 3.04Å
133P78.3Confident77.9Confident35 Ų3578.9 Ų78.923%0.22744%0.444CS..PPolyproline II helixtrans-61.6131.6168.127.2-32.9000109.3N79 L137 G138N79-P133 HydrophobicContact CB-CB 4.14Å; N79-P133 HydrophobicContact CB-CG 4.47Å; P133-L137 HydrophobicContact CB-CD2 4.22Å; P133-L137 HydrophobicContact CB-CG 4.42Å; P133-G138 VanDerWaalsContact O-CA 3.31Å; P133-G138 WeakPolarHBondContact O-CA 3.26Å
134V78.4Confident77.6Confident14 Ų1474 Ų749%0.08543%0.429CS..PPolyproline II helixtrans-84.7167.2176-66.40000110.6M121 I125 R132M121-V134 HydrophobicContact CE-CB 4.07Å; M121-V134 HydrophobicContact CE-CG2 3.35Å; I125-V134 HydrophobicContact CD1-CG2 3.75Å; I125-V134 HydrophobicContact CG1-CB 4.18Å; I125-V134 HydrophobicContact CG1-CG1 3.75Å; I125-V134 HydrophobicContact CG1-CG2 3.39Å; R132-V134 PolarHBondContact O-N 3.04Å
135G76.8Confident77.5Confident24 Ų2472 Ų7225%0.24742%0.421CS..SBendtrans81.5-157.4176.400000114.7L137 G138G135-L137 VanDerWaalsContact C-N 3.29Å; G135-L137 PolarHBondContact O-N 3.04Å; G135-G138 PolarHBondContact O-N 3.35Å
136Q74.2Confident77.5Confident104 Ų10474 Ų7449%0.48643%0.431SS..SBendtrans-68.5-30.8-175.6-54.9-173.5-1.900112.3V103 K104 D105 G138 K139 A140V103-Q136 HydrophobicContact CG1-CB 4.22Å; K104-Q136 PolarHBondContact O-OE1 3.05Å; D105-Q136 VanDerWaalsContact OD1-CB 3.27Å; D105-Q136 WeakPolarHBondContact OD1-CB 3.48Å; D105-Q136 WeakPolarHBondContact OD1-CG 3.32Å; Q136-G138 VanDerWaalsContact C-N 3.25Å; Q136-G138 PolarHBondContact O-N 2.81Å; Q136-K139 CarbonylContact O-C 3.59Å; Q136-K139 WeakPolarHBondContact O-CA 3.4Å; Q136-K139 WeakPolarHBondContact O-CB 3.16Å; Q136-K139 PolarHBondContact O-N 2.97Å; Q136-A140 PolarHBondContact O-N 3.08Å; Q136-A140 VanDerWaalsContact O-N 3.15Å
137L74.1Confident77.7Confident15 Ų1570.2 Ų70.28%0.07940%0.4CS..G310 helixtrans-59.8-35.1174.6-170.763.2000112.6K78 N79 L101 P133 G135 K139 A140K78-L137 VanDerWaalsContact C-CD2 3.43Å; N79-L137 HydrophobicContact CB-CD2 3.58Å; L101-L137 HydrophobicContact CD1-CD1 4.19Å; P133-L137 HydrophobicContact CB-CD2 4.22Å; P133-L137 HydrophobicContact CB-CG 4.42Å; G135-L137 VanDerWaalsContact C-N 3.29Å; G135-L137 PolarHBondContact O-N 3.04Å; L137-K139 PolarHBondContact O-N 2.87Å; L137-A140 WeakPolarHBondContact O-CB 3.43Å; L137-A140 PolarHBondContact O-N 3.18Å
138G68.7Low77.9Confident26 Ų2669.2 Ų69.227%0.26839%0.394SS..G310 helixtrans-69.5-18174.700000114.3P133 G135 Q136P133-G138 VanDerWaalsContact O-CA 3.31Å; P133-G138 WeakPolarHBondContact O-CA 3.26Å; G135-G138 PolarHBondContact O-N 3.35Å; Q136-G138 VanDerWaalsContact C-N 3.25Å; Q136-G138 PolarHBondContact O-N 2.81Å
139K72.6Confident78.1Confident184 Ų18471 Ų7180%0.840%0.396SS*.G310 helixtrans-97.5-8.1177.4-59179.8-177.7-179.90112.8Q136 L137Q136-K139 CarbonylContact O-C 3.59Å; Q136-K139 WeakPolarHBondContact O-CA 3.4Å; Q136-K139 WeakPolarHBondContact O-CB 3.16Å; Q136-K139 PolarHBondContact O-N 2.97Å; L137-K139 PolarHBondContact O-N 2.87Å
140A68.9Low78.5Confident23 Ų2365.1 Ų65.119%0.1936%0.364CS..SBendtrans-66.7151-178.700000111.2L101 V103 Q136 L137 S142L101-A140 HydrophobicContact CD1-CB 4.27Å; V103-A140 HydrophobicContact CG2-CB 3.44Å; V103-A140 VanDerWaalsContact CG2-CB 3.44Å; Q136-A140 PolarHBondContact O-N 3.08Å; Q136-A140 VanDerWaalsContact O-N 3.15Å; L137-A140 WeakPolarHBondContact O-CB 3.43Å; L137-A140 PolarHBondContact O-N 3.18Å; A140-S142 PolarHBondContact O-N 2.92Å
141P69.4Low79.2Confident85 Ų8565.2 Ų65.255%0.55236%0.363SS*.  trans-58.2140.6172.624.9-33000110.1L101 S143L101-P141 HydrophobicContact CD2-CG 4.49Å; L101-P141 WeakPolarHBondContact CD2-O 3.36Å; P141-S143 PolarHBondContact O-N 3.36Å
142S65.5Low79.7Confident99 Ų9967 Ų6769%0.69236%0.357SS*.SBendtrans-68.5-17-170.346.20000114.5Y90 A140Y90-S142 PolarHBondContact OH-O 2.87Å; A140-S142 PolarHBondContact O-N 2.92Å
143S74.7Confident80.3Confident84 Ų8464.8 Ų64.859%0.58736%0.364SS*.  trans-152.5138179.657.80000113.9Y90 P141Y90-S143 WeakPolarHBondContact OH-CA 3.49Å; P141-S143 PolarHBondContact O-N 3.36Å
144S81.6Confident80.9Confident23 Ų2368 Ų6816%0.16138%0.384CS..  trans-119.4129.4170.8176.20000109.5G100 M146 L147 L148G100-S144 VanDerWaalsContact O-CB 3.3Å; G100-S144 WeakPolarHBondContact O-CB 3.47Å; G100-S144 PolarHBondContact O-OG 3.1Å; S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 2.95Å; S144-L147 PolarHBondContact O-N 3.22Å; S144-L148 PolarHBondContact O-N 2.9Å; S144-L148 VanDerWaalsContact O-N 3.08Å
145D83.6Confident81.5Confident51 Ų5170.1 Ų70.127%0.27340%0.398SS..Hα-helixtrans-62.5-39.7-178.2-178.446.3000112.8L147 L148 K149 K290D145-L147 VanDerWaalsContact C-N 3.26Å; D145-L147 PolarHBondContact O-N 3.14Å; D145-L148 PolarHBondContact O-N 2.72Å; D145-K149 WeakPolarHBondContact O-CG 3.42Å; D145-K149 PolarHBondContact O-N 3.5Å; D145-K149 IonicContact OD1-NZ 2.89Å; D145-K149 WeakPolarHBondContact OD2-CE 3.27Å; D145-K149 IonicContact OD2-NZ 3.69Å; D145-K149 PolarHBondContact OD2-NZ 3.2Å; D145-K290 WeakPolarHBondContact OD1-CE 3.26Å; D145-K290 IonicContact OD1-NZ 2.74Å; D145-K290 PolarHBondContact OD1-NZ 3.37Å; D145-K290 WeakPolarHBondContact OD2-CE 3.22Å; D145-K290 IonicContact OD2-NZ 3.08Å; D145-K290 PolarHBondContact OD2-NZ 2.84Å
146M86.2Confident82.3Confident58 Ų5873.8 Ų73.829%0.28641%0.405SS..Hα-helixtrans-59-41.8177.2172.5175.5157.500110.9S144 K149 L150 L214 A217S144-M146 VanDerWaalsContact C-N 3.3Å; S144-M146 PolarHBondContact O-N 2.95Å; M146-K149 PolarHBondContact O-N 2.85Å; M146-L150 HydrophobicContact CE-CD1 4.21Å; M146-L150 HydrophobicContact CG-CD1 4.32Å; M146-L150 WeakPolarHBondContact O-CG 3.49Å; M146-L150 PolarHBondContact O-N 3.43Å; M146-L150 VanDerWaalsContact O-N 3.14Å; M146-L214 HydrophobicContact CE-CD2 3.53Å; M146-A217 HydrophobicContact CE-CB 3.48Å; M146-A217 VanDerWaalsContact CE-CB 3.48Å; M146-A217 HydrophobicContact CG-CB 4.13Å; M146-A217 HydrophobicContact SD-CB 4.13Å
147L90.2Very high83.2Confident0 Ų071.9 Ų71.90%039%0.394CS..Hα-helixtrans-69-41.3179.3-59.4-177.3000111.4Y90 L92 V96 R97 L101 S144 D145 K149 L150 A151Y90-L147 HydrophobicContact CD1-CB 3.77Å; Y90-L147 HydrophobicContact CD2-CB 4.45Å; Y90-L147 HydrophobicContact CD2-CD1 4.31Å; Y90-L147 HydrophobicContact CE1-CB 3.87Å; Y90-L147 HydrophobicContact CE2-CD1 4.22Å; Y90-L147 HydrophobicContact CG-CB 4.09Å; L92-L147 HydrophobicContact CD1-CB 4.22Å; L92-L147 HydrophobicContact CD1-CD2 4Å; V96-L147 HydrophobicContact CG1-CD2 3.98Å; V96-L147 WeakPolarHBondContact O-CD2 3.31Å; R97-L147 HydrophobicContact CB-CD1 4.36Å; R97-L147 HydrophobicContact CG-CD1 3.95Å; L101-L147 HydrophobicContact CD2-CD1 4.13Å; L101-L147 HydrophobicContact CG-CD1 3.9Å; S144-L147 PolarHBondContact O-N 3.22Å; D145-L147 VanDerWaalsContact C-N 3.26Å; D145-L147 PolarHBondContact O-N 3.14Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.3Å; L147-L150 PolarHBondContact O-N 3.35Å; L147-A151 WeakPolarHBondContact O-CB 3.3Å; L147-A151 PolarHBondContact O-N 2.92Å
148L90.1Very high84.1Confident116 Ų11676.8 Ų76.861%0.60742%0.415SS*.Hα-helixtrans-62-38.9177.3-145.490.9000112.1Y90 S144 D145Y90-L148 HydrophobicContact CE1-CD1 3.96Å; S144-L148 PolarHBondContact O-N 2.9Å; S144-L148 VanDerWaalsContact O-N 3.08Å; D145-L148 PolarHBondContact O-N 2.72Å
149K88.4Confident85.2Confident85 Ų8579 Ų7937%0.3742%0.415SS..Hα-helixtrans-69.6-31.9176.8-74.1171.1174.5166.30113.3D145 M146 L147 M220D145-K149 WeakPolarHBondContact O-CG 3.42Å; D145-K149 PolarHBondContact O-N 3.5Å; D145-K149 IonicContact OD1-NZ 2.89Å; D145-K149 WeakPolarHBondContact OD2-CE 3.27Å; D145-K149 IonicContact OD2-NZ 3.69Å; D145-K149 PolarHBondContact OD2-NZ 3.2Å; M146-K149 PolarHBondContact O-N 2.85Å; L147-K149 VanDerWaalsContact C-N 3.31Å; L147-K149 PolarHBondContact O-N 3.3Å; K149-M220 HydrophobicContact CB-CE 4.3Å; K149-M220 HydrophobicContact CB-SD 4.06Å; K149-M220 HydrophobicContact CD-SD 4.46Å
150L90.1Very high86.2Confident18 Ų1870.3 Ų70.39%0.09438%0.377CS..Hα-helixtrans-84-24.7177.1-75175.8000113.2L92 V96 M146 L147 A217 M220L92-L150 HydrophobicContact CD1-CB 3.9Å; L92-L150 HydrophobicContact CD2-CB 4.26Å; V96-L150 HydrophobicContact CG1-CD1 3.73Å; M146-L150 HydrophobicContact CE-CD1 4.21Å; M146-L150 HydrophobicContact CG-CD1 4.32Å; M146-L150 WeakPolarHBondContact O-CG 3.49Å; M146-L150 PolarHBondContact O-N 3.43Å; M146-L150 VanDerWaalsContact O-N 3.14Å; L147-L150 PolarHBondContact O-N 3.35Å; L150-A217 HydrophobicContact CD1-CB 3.92Å; L150-A217 HydrophobicContact CD2-CB 4.26Å; L150-A217 HydrophobicContact CG-CB 4.32Å; L150-M220 HydrophobicContact CD2-CE 3.47Å; L150-M220 VanDerWaalsContact CD2-CE 3.47Å; L150-M220 HydrophobicContact CG-CE 4.02Å
151A92.1Very high87.3Confident27 Ų2773.8 Ų73.822%0.22339%0.385CS..SBendtrans-58.4141.8-177.100000111.3Y90 L147Y90-A151 HydrophobicContact CD1-CB 4.39Å; Y90-A151 WeakPolarHBondContact O-CB 3.48Å; L147-A151 WeakPolarHBondContact O-CB 3.3Å; L147-A151 PolarHBondContact O-N 2.92Å
152R91.4Very high88.5Confident147 Ų14770.7 Ų70.756%0.55537%0.365SS*.  trans-85.3128.7177.2-68.8-179.4176.8-175.8-1.9109.3Y156R152-Y156 VanDerWaalsContact NH1-CB 3.31Å
153T90.8Very high89.9Confident142 Ų14271.6 Ų71.687%0.87136%0.358SS*.SBendtrans-79-29.417654.50000112.8
154T91Very high90.8Very high103 Ų10369.9 Ų69.963%0.63234%0.342SS*.SBendtrans-108.1141.8-178.655.70000112.1
155P92.2Very high91.5Very high59 Ų5969 Ų6938%0.38334%0.336SS..  trans-59.8136.9175.7-24.533.9000112.9T26 Y157T26-P155 WeakPolarHBondContact OG1-CA 3.49Å; P155-Y157 HydrophobicContact CB-CD1 4.31Å; P155-Y157 HydrophobicContact CB-CD2 4.3Å; P155-Y157 HydrophobicContact CB-CE1 3.8Å; P155-Y157 HydrophobicContact CB-CE2 3.77Å; P155-Y157 VanDerWaalsContact CB-CZ 3.5Å; P155-Y157 HydrophobicContact CG-CE2 4.34Å; P155-Y157 PolarHBondContact O-N 3.48Å
156Y93.3Very high92Very high101 Ų10170 Ų7040%0.39635%0.347SS..  trans-98.174.5179.5-172.6-111.2000112.3T26 R152 K158 R159T26-Y156 VanDerWaalsContact CG2-C 3.47Å; T26-Y156 VanDerWaalsContact CG2-O 3.24Å; T26-Y156 WeakPolarHBondContact CG2-O 3.31Å; T26-Y156 PolarHBondContact OG1-N 3.16Å; R152-Y156 VanDerWaalsContact NH1-CB 3.31Å; Y156-K158 HydrophobicContact CD1-CB 4.36Å; Y156-K158 HydrophobicContact CD2-CB 4.44Å; Y156-K158 HydrophobicContact CE1-CB 3.79Å; Y156-K158 HydrophobicContact CE2-CB 3.89Å; Y156-K158 HydrophobicContact CE2-CD 3.75Å; Y156-K158 HydrophobicContact CE2-CG 4.05Å; Y156-K158 PolarHBondContact O-N 3.16Å; Y156-K158 VanDerWaalsContact O-N 3.12Å; Y156-R159 HydrophobicContact CD1-CB 4.23Å; Y156-R159 PolarHBondContact O-N 3.4Å
157Y93Very high92.5Very high63 Ų6372.9 Ų72.925%0.24736%0.358CS..G310 helixtrans-66.6-12.7-175.6-62.7-51.8000115.1T26 G29 E30 P155 R159 N160T26-Y157 HydrophobicContact CG2-CD1 4.35Å; G29-Y157 PolarHBondContact O-OH 3.37Å; E30-Y157 WeakPolarHBondContact CA-OH 3.48Å; E30-Y157 HydrophobicContact CB-CE1 4.37Å; E30-Y157 HydrophobicContact CB-CE2 3.9Å; P155-Y157 HydrophobicContact CB-CD1 4.31Å; P155-Y157 HydrophobicContact CB-CD2 4.3Å; P155-Y157 HydrophobicContact CB-CE1 3.8Å; P155-Y157 HydrophobicContact CB-CE2 3.77Å; P155-Y157 VanDerWaalsContact CB-CZ 3.5Å; P155-Y157 HydrophobicContact CG-CE2 4.34Å; P155-Y157 PolarHBondContact O-N 3.48Å; Y157-R159 PolarHBondContact O-N 2.88Å; Y157-N160 WeakPolarHBondContact O-CB 3.49Å; Y157-N160 PolarHBondContact O-N 3.49Å
158K92.3Very high92.8Very high119 Ų11977.8 Ų77.852%0.51738%0.376SS..G310 helixtrans-56.3-24.8171.8-66.7-173.7-177.8177.90112.6Y156 N160 R161Y156-K158 HydrophobicContact CD1-CB 4.36Å; Y156-K158 HydrophobicContact CD2-CB 4.44Å; Y156-K158 HydrophobicContact CE1-CB 3.79Å; Y156-K158 HydrophobicContact CE2-CB 3.89Å; Y156-K158 HydrophobicContact CE2-CD 3.75Å; Y156-K158 HydrophobicContact CE2-CG 4.05Å; Y156-K158 PolarHBondContact O-N 3.16Å; Y156-K158 VanDerWaalsContact O-N 3.12Å; K158-N160 VanDerWaalsContact C-N 3.3Å; K158-N160 PolarHBondContact O-N 3.19Å; K158-R161 WeakPolarHBondContact O-CB 3.33Å; K158-R161 WeakPolarHBondContact O-CG 3.42Å; K158-R161 PolarHBondContact O-N 3.08Å
159R92.1Very high93Very high73 Ų7376 Ų7628%0.27537%0.37SS..G310 helixtrans-65.7-29.2173.8178.3178.9-73.1172.5-9.8113.6L86 Y156 Y157 R161L86-R159 VanDerWaalsContact CD1-NH2 3.29Å; Y156-R159 HydrophobicContact CD1-CB 4.23Å; Y156-R159 PolarHBondContact O-N 3.4Å; Y157-R159 PolarHBondContact O-N 2.88Å; R159-R161 PolarHBondContact O-N 3.14Å
160N93.3Very high93.2Very high1 Ų179 Ų791%0.00538%0.383CS..G310 helixtrans-83.9-1.2-176.9-60.6-15.6000112.4T26 P59 M63 R64 K66 Y157 K158T26-N160 PolarHBondContact O-ND2 2.83Å; T26-N160 PolarHBondContact O-OD1 3.07Å; P59-N160 HydrophobicContact CB-CB 4.39Å; P59-N160 HydrophobicContact CG-CB 4.3Å; M63-N160 HydrophobicContact CB-CB 4.33Å; M63-N160 HydrophobicContact CG-CB 4.25Å; M63-N160 HydrophobicContact SD-CB 3.62Å; R64-N160 WeakPolarHBondContact CG-O 3.23Å; R64-N160 PolarHBondContact N-O 3.07Å; K66-N160 HydrophobicContact CD-CB 4.34Å; K66-N160 VanDerWaalsContact CD-OD1 3.29Å; K66-N160 WeakPolarHBondContact CD-OD1 3.47Å; K66-N160 PolarHBondContact NZ-OD1 3.25Å; Y157-N160 WeakPolarHBondContact O-CB 3.49Å; Y157-N160 PolarHBondContact O-N 3.49Å; K158-N160 VanDerWaalsContact C-N 3.3Å; K158-N160 PolarHBondContact O-N 3.19Å
161R93.4Very high93.4Very high96 Ų9681.4 Ų81.436%0.36241%0.412SS..SBendtrans-65.9148.9179.8-71.2-177.2178-170.8-4.8111.7R64 K158 R159 R182R64-R161 WeakPolarHBondContact CD-O 3.25Å; R64-R161 PolarHBondContact NH1-O 3.49Å; K158-R161 WeakPolarHBondContact O-CB 3.33Å; K158-R161 WeakPolarHBondContact O-CG 3.42Å; K158-R161 PolarHBondContact O-N 3.08Å; R159-R161 PolarHBondContact O-N 3.14Å; R161-R182 VanDerWaalsContact CD-CZ 3.48Å
162P94.3Very high93.6Very high19 Ų1986.1 Ų86.112%0.12343%0.43CS..PPolyproline II helixtrans-52.6154.3169.8-25.134.3000112.6R62 P180 R182R62-P162 WeakPolarHBondContact O-CD 3.32Å; P162-P180 VanDerWaalsContact CB-O 3.23Å; P162-P180 WeakPolarHBondContact CB-O 3.31Å; P162-P180 VanDerWaalsContact CG-O 3.25Å; P162-P180 WeakPolarHBondContact CG-O 3.18Å; P162-R182 HydrophobicContact CB-CG 4.34Å; P162-R182 WeakPolarHBondContact O-CD 3.14Å
163H93.7Very high93.8Very high118 Ų11880.5 Ų80.555%0.54641%0.412SS..PPolyproline II helixtrans-65.9164.1168.4-68.3-74.1000110.3Y181 R182H163-Y181 HydrophobicContact CB-CD1 4.41Å; H163-Y181 WeakPolarHBondContact O-CB 3.49Å; H163-R182 PolarHBondContact O-N 2.91Å
164I94.6Very high94.1Very high49 Ų4983.8 Ų83.825%0.25142%0.415SS..BIsolated β-bridgetrans-75.9138.6178.5-60.7168.8000108.4S166 V169 R182 E184 P186I164-S166 PolarHBondContact O-N 3.31Å; I164-V169 HydrophobicContact CG2-CG2 3.79Å; I164-R182 WeakPolarHBondContact CA-O 3.34Å; I164-E184 HydrophobicContact CD1-CG 4.17Å; I164-E184 HydrophobicContact CG1-CG 4.04Å; I164-E184 VanDerWaalsContact CG2-O 3.22Å; I164-E184 WeakPolarHBondContact CG2-O 3.22Å; I164-P186 HydrophobicContact CD1-CB 4.04Å; I164-P186 HydrophobicContact CD1-CG 4.17Å; I164-P186 HydrophobicContact CG2-CG 4.07Å
165C95.7Very high94.2Very high5 Ų584.5 Ų84.53%0.03441%0.406CS..  trans-69.5112.2179.3-176.30000109.5F167 W168 V169 R182C165-F167 VanDerWaalsContact C-N 3.26Å; C165-F167 PolarHBondContact O-N 2.88Å; C165-W168 HydrophobicContact CB-CB 3.68Å; C165-W168 PolarHBondContact O-N 3.34Å; C165-W168 VanDerWaalsContact O-N 3.16Å; C165-W168 PolarHBondContact SG-N 3.31Å; C165-W168 VanDerWaalsContact SG-N 3.4Å; C165-V169 WeakPolarHBondContact O-CG2 3.47Å; C165-V169 PolarHBondContact O-N 3.15Å; C165-V169 VanDerWaalsContact O-N 3.14Å; C165-R182 PolarHBondContact N-O 3.2Å
166S94.4Very high94.2Very high72 Ų7283 Ų8350%0.50340%0.402SS..Hα-helixtrans-61.1-34.5176.452.90000112.6I164 V169 K170I164-S166 PolarHBondContact O-N 3.31Å; S166-V169 PolarHBondContact O-N 3.35Å; S166-K170 WeakPolarHBondContact O-CG 3.47Å; S166-K170 PolarHBondContact O-N 2.99Å
167F95.9Very high94.1Very high118 Ų11887.3 Ų87.352%0.51843%0.425SS..Hα-helixtrans-69.2-32.9176-65.1-81.9000112.7C165 K170 G171 E172 C173C165-F167 VanDerWaalsContact C-N 3.26Å; C165-F167 PolarHBondContact O-N 2.88Å; F167-K170 PolarHBondContact O-N 3.43Å; F167-G171 PolarHBondContact O-N 3.26Å; F167-G171 VanDerWaalsContact O-N 3.14Å; F167-E172 PolarHBondContact O-N 3.16Å; F167-C173 HydrophobicContact CB-CB 4.23Å; F167-C173 PolarHBondContact O-N 2.91Å
168W95.9Very high94.2Very high102 Ų10291.7 Ų91.739%0.38645%0.448SS..Hα-helixtrans-70.8-39.9176-18083.9000111.3C165 K170 G171 C173 H183 E184C165-W168 HydrophobicContact CB-CB 3.68Å; C165-W168 PolarHBondContact O-N 3.34Å; C165-W168 VanDerWaalsContact O-N 3.16Å; C165-W168 PolarHBondContact SG-N 3.31Å; C165-W168 VanDerWaalsContact SG-N 3.4Å; W168-K170 PolarHBondContact O-N 3.33Å; W168-G171 PolarHBondContact O-N 2.81Å; W168-C173 HydrophobicContact CB-CB 3.9Å; W168-H183 WeakPolarHBondContact CB-CD2 3.36Å; W168-H183 AromaticContact CD1-CD2 3.57Å; W168-H183 AromaticContact CD1-CE1 3.89Å; W168-H183 AromaticContact CD1-CG 3.36Å; W168-H183 AromaticContact CD1-ND1 3.59Å; W168-H183 AromaticContact CD1-NE2 3.9Å; W168-H183 HydrophobicContact CD2-CB 3.77Å; W168-H183 HydrophobicContact CE3-CB 4.5Å; W168-H183 HydrophobicContact CG-CB 3.83Å; W168-H183 AromaticContact CG-CD2 3.38Å; W168-H183 AromaticContact CG-CG 3.55Å; W168-H183 AromaticContact CG-NE2 3.94Å; W168-H183 HydrophobicContact CZ2-CB 4.24Å; W168-H183 AromaticContact NE1-CG 3.75Å; W168-E184 VanDerWaalsContact CZ3-O 3.22Å; W168-E184 WeakPolarHBondContact CZ3-O 3.42Å
169V94.6Very high94.2Very high78 Ų7886.8 Ų86.847%0.47343%0.429SS..Hα-helixtrans-59-31.7174176.70000111.4I164 C165 S166 P186I164-V169 HydrophobicContact CG2-CG2 3.79Å; C165-V169 WeakPolarHBondContact O-CG2 3.47Å; C165-V169 PolarHBondContact O-N 3.15Å; C165-V169 VanDerWaalsContact O-N 3.14Å; S166-V169 PolarHBondContact O-N 3.35Å; V169-P186 HydrophobicContact CG1-CG 4.42Å; V169-P186 HydrophobicContact CG2-CG 3.66Å
170K94.3Very high94.3Very high149 Ų14987 Ų8765%0.64844%0.44SS*.THydrogen-bonded Turntrans-83.2-9.5173.9-65.3177.5-177.7-172.70114.6S166 F167 W168 E172S166-K170 WeakPolarHBondContact O-CG 3.47Å; S166-K170 PolarHBondContact O-N 2.99Å; F167-K170 PolarHBondContact O-N 3.43Å; W168-K170 PolarHBondContact O-N 3.33Å; K170-E172 HydrophobicContact CB-CG 4.44Å
171G94.3Very high94.4Very high69 Ų6992.6 Ų92.671%0.71146%0.461SS*.THydrogen-bonded Turntrans80.69.7-174.800000115.4F167 W168F167-G171 PolarHBondContact O-N 3.26Å; F167-G171 VanDerWaalsContact O-N 3.14Å; W168-G171 PolarHBondContact O-N 2.81Å
172E95.6Very high94.4Very high126 Ų12690.9 Ų90.959%0.58946%0.455SS*.  trans-110.315.2-172.4-61.6178.6159.200113.3F167 K170 K174F167-E172 PolarHBondContact O-N 3.16Å; K170-E172 HydrophobicContact CB-CG 4.44Å; E172-K174 PolarHBondContact O-N 3.02Å
173C96.1Very high94.4Very high28 Ų2893.2 Ų93.219%0.18946%0.464CS..  trans-72.995.3-178.1-169.90000111.9F167 W168 R175 H183F167-C173 HydrophobicContact CB-CB 4.23Å; F167-C173 PolarHBondContact O-N 2.91Å; W168-C173 HydrophobicContact CB-CB 3.9Å; C173-R175 PolarHBondContact O-N 3.41Å; C173-H183 PolarHBondContact SG-NE2 3.15Å
174K95.4Very high94.3Very high211 Ų21190.9 Ų90.992%0.91745%0.453SS*.THydrogen-bonded Turntrans-72.6-9.9177.2-60.7-175.8-178.2-178.20114.7E172 G176E172-K174 PolarHBondContact O-N 3.02Å; K174-G176 VanDerWaalsContact C-N 3.34Å
175R94.8Very high94.2Very high118 Ų11895.2 Ų95.245%0.44547%0.47SS..THydrogen-bonded Turntrans-82.1-10.6-177.2-63.9176.568.3169.811.6113.6C173 E177 E178 C179C173-R175 PolarHBondContact O-N 3.41Å; R175-E177 PolarHBondContact O-N 3.01Å; R175-E178 WeakPolarHBondContact O-CB 3.33Å; R175-E178 PolarHBondContact O-N 3.13Å; R175-C179 HydrophobicContact CB-CB 3.89Å; R175-C179 PolarHBondContact O-N 3.47Å
176G92.1Very high94Very high29 Ų2997.4 Ų97.430%0.29948%0.484SS..G310 helixtrans51.1-131.9178.100000113.1K174 E178 C179 H183K174-G176 VanDerWaalsContact C-N 3.34Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 3.13Å; G176-C179 VanDerWaalsContact O-CB 3.31Å; G176-C179 WeakPolarHBondContact O-CB 3.5Å; G176-C179 PolarHBondContact O-N 2.8Å; G176-H183 PolarHBondContact O-CE1 2.78Å
177E91.2Very high93.8Very high191 Ų19198.5 Ų98.589%0.89349%0.488SS*.G310 helixtrans-70.4-18178.168.8-81.1-169.700114.5R175 C179R175-E177 PolarHBondContact O-N 3.01Å; E177-C179 PolarHBondContact O-N 2.66Å
178E93.6Very high93.4Very high155 Ų15596.7 Ų96.772%0.72448%0.484SS*.G310 helixtrans-79.3-8.6177-154.3-157.1152.100112R175 G176 P180R175-E178 WeakPolarHBondContact O-CB 3.33Å; R175-E178 PolarHBondContact O-N 3.13Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 3.13Å; E178-P180 WeakPolarHBondContact O-CD 3.31Å
179C94Very high93Very high16 Ų1697 Ų9711%0.10850%0.499CS..  trans-63.4119.1179.1-168.30000111.5R175 G176 E177 Y181 H183R175-C179 HydrophobicContact CB-CB 3.89Å; R175-C179 PolarHBondContact O-N 3.47Å; G176-C179 VanDerWaalsContact O-CB 3.31Å; G176-C179 WeakPolarHBondContact O-CB 3.5Å; G176-C179 PolarHBondContact O-N 2.8Å; E177-C179 PolarHBondContact O-N 2.66Å; C179-Y181 PolarHBondContact O-N 2.73Å; C179-H183 WeakPolarHBondContact CB-NE2 3.43Å; C179-H183 PolarHBondContact SG-NE2 2.74Å; C179-H183 VanDerWaalsContact SG-NE2 3.43Å
180P92.3Very high92.6Very high78 Ų78100.5 Ų100.551%0.50652%0.515SS..SBendtrans-71.8-13.3177.7-19.633.4000113.4P162 E178P162-P180 VanDerWaalsContact CB-O 3.23Å; P162-P180 WeakPolarHBondContact CB-O 3.31Å; P162-P180 VanDerWaalsContact CG-O 3.25Å; P162-P180 WeakPolarHBondContact CG-O 3.18Å; E178-P180 WeakPolarHBondContact O-CD 3.31Å
181Y95.3Very high92.4Very high118 Ų11896.4 Ų96.446%0.46350%0.5SS..SBendtrans-88.8157.5177.9-62.7-76.8000110.6H163 C179H163-Y181 HydrophobicContact CB-CD1 4.41Å; H163-Y181 WeakPolarHBondContact O-CB 3.49Å; C179-Y181 PolarHBondContact O-N 2.73Å
182R94.3Very high91.8Very high60 Ų6098 Ų9823%0.22650%0.498CS..BIsolated β-bridgetrans-79.8139.1-176.7-69.3162.975-160.86.4111.6R161 P162 H163 I164 C165 E184R161-R182 VanDerWaalsContact CD-CZ 3.48Å; P162-R182 HydrophobicContact CB-CG 4.34Å; P162-R182 WeakPolarHBondContact O-CD 3.14Å; H163-R182 PolarHBondContact O-N 2.91Å; I164-R182 WeakPolarHBondContact CA-O 3.34Å; C165-R182 PolarHBondContact N-O 3.2Å; R182-E184 HydrophobicContact CB-CG 4.09Å; R182-E184 IonicContact CZ-OE1 2.85Å; R182-E184 IonicContact CZ-OE2 3.08Å; R182-E184 IonicContact NE-OE1 3.19Å; R182-E184 PolarHBondContact NE-OE1 3.44Å; R182-E184 IonicContact NE-OE2 3.78Å; R182-E184 PolarHBondContact NE-OE2 3.44Å; R182-E184 VanDerWaalsContact NE-OE2 3.08Å; R182-E184 IonicContact NH1-OE1 2.7Å; R182-E184 PolarHBondContact NH1-OE1 2.88Å; R182-E184 VanDerWaalsContact NH1-OE1 3.08Å; R182-E184 IonicContact NH2-OE1 3.89Å; R182-E184 PolarHBondContact NH2-OE1 3.28Å; R182-E184 IonicContact NH2-OE2 3.9Å; R182-E184 PolarHBondContact NH2-OE2 3.05Å
183H94.9Very high91.4Very high68 Ų6894.5 Ų94.532%0.31548%0.483SS..  trans-102.173.4173.3-69175000109.1W168 C173 G176 C179W168-H183 WeakPolarHBondContact CB-CD2 3.36Å; W168-H183 AromaticContact CD1-CD2 3.57Å; W168-H183 AromaticContact CD1-CE1 3.89Å; W168-H183 AromaticContact CD1-CG 3.36Å; W168-H183 AromaticContact CD1-ND1 3.59Å; W168-H183 AromaticContact CD1-NE2 3.9Å; W168-H183 HydrophobicContact CD2-CB 3.77Å; W168-H183 HydrophobicContact CE3-CB 4.5Å; W168-H183 HydrophobicContact CG-CB 3.83Å; W168-H183 AromaticContact CG-CD2 3.38Å; W168-H183 AromaticContact CG-CG 3.55Å; W168-H183 AromaticContact CG-NE2 3.94Å; W168-H183 HydrophobicContact CZ2-CB 4.24Å; W168-H183 AromaticContact NE1-CG 3.75Å; C173-H183 PolarHBondContact SG-NE2 3.15Å; G176-H183 PolarHBondContact O-CE1 2.78Å; C179-H183 WeakPolarHBondContact CB-NE2 3.43Å; C179-H183 PolarHBondContact SG-NE2 2.74Å; C179-H183 VanDerWaalsContact SG-NE2 3.43Å
184E92.1Very high90.7Very high68 Ų6895.4 Ų95.432%0.31849%0.493SS..SBendtrans-144.4163178.866.6178.7-150.300110.3I164 W168 R182 P186I164-E184 HydrophobicContact CD1-CG 4.17Å; I164-E184 HydrophobicContact CG1-CG 4.04Å; I164-E184 VanDerWaalsContact CG2-O 3.22Å; I164-E184 WeakPolarHBondContact CG2-O 3.22Å; W168-E184 VanDerWaalsContact CZ3-O 3.22Å; W168-E184 WeakPolarHBondContact CZ3-O 3.42Å; R182-E184 HydrophobicContact CB-CG 4.09Å; R182-E184 IonicContact CZ-OE1 2.85Å; R182-E184 IonicContact CZ-OE2 3.08Å; R182-E184 IonicContact NE-OE1 3.19Å; R182-E184 PolarHBondContact NE-OE1 3.44Å; R182-E184 IonicContact NE-OE2 3.78Å; R182-E184 PolarHBondContact NE-OE2 3.44Å; R182-E184 VanDerWaalsContact NE-OE2 3.08Å; R182-E184 IonicContact NH1-OE1 2.7Å; R182-E184 PolarHBondContact NH1-OE1 2.88Å; R182-E184 VanDerWaalsContact NH1-OE1 3.08Å; R182-E184 IonicContact NH2-OE1 3.89Å; R182-E184 PolarHBondContact NH2-OE1 3.28Å; R182-E184 IonicContact NH2-OE2 3.9Å; R182-E184 PolarHBondContact NH2-OE2 3.05Å; E184-P186 WeakPolarHBondContact O-CD 3.22Å
185K91.2Very high89.9Confident141 Ų14191.9 Ų91.961%0.61348%0.484SS*.PPolyproline II helixtrans-63.5128.8179.2-163.5-168.9172.8-157.80110.8D188K185-D188 VanDerWaalsContact CE-OD1 3.3Å; K185-D188 WeakPolarHBondContact CE-OD1 3.44Å; K185-D188 VanDerWaalsContact NZ-CG 3.33Å; K185-D188 IonicContact NZ-OD1 3.98Å; K185-D188 PolarHBondContact NZ-OD1 3.37Å; K185-D188 IonicContact NZ-OD2 2.68Å; K185-D188 PolarHBondContact NZ-OD2 3.28Å; K185-D188 VanDerWaalsContact NZ-OD2 3.1Å
186P92.1Very high89.3Confident50 Ų5090.1 Ų90.133%0.32548%0.481SS..PPolyproline II helixtrans-56.1155.7165.8-22.432.9000112.9I164 V169 E184 D188I164-P186 HydrophobicContact CD1-CB 4.04Å; I164-P186 HydrophobicContact CD1-CG 4.17Å; I164-P186 HydrophobicContact CG2-CG 4.07Å; V169-P186 HydrophobicContact CG1-CG 4.42Å; V169-P186 HydrophobicContact CG2-CG 3.66Å; E184-P186 WeakPolarHBondContact O-CD 3.22Å; P186-D188 PolarHBondContact O-N 2.7Å
187T89.6Confident89.2Confident95 Ų9592.1 Ų92.158%0.58348%0.484SS*.PPolyproline II helixtrans-59.4136.8164.7-510000108.7D191 A194T187-D191 HydrophobicContact CG2-CB 4.13Å; T187-A194 HydrophobicContact CG2-CB 4.49Å
188D88Confident89.1Confident81 Ų8185.4 Ų85.443%0.43345%0.454SS..PPolyproline II helixtrans-64135.8178.9-64.9-54000109.9K185 P186 D190 D191K185-D188 VanDerWaalsContact CE-OD1 3.3Å; K185-D188 WeakPolarHBondContact CE-OD1 3.44Å; K185-D188 VanDerWaalsContact NZ-CG 3.33Å; K185-D188 IonicContact NZ-OD1 3.98Å; K185-D188 PolarHBondContact NZ-OD1 3.37Å; K185-D188 IonicContact NZ-OD2 2.68Å; K185-D188 PolarHBondContact NZ-OD2 3.28Å; K185-D188 VanDerWaalsContact NZ-OD2 3.1Å; P186-D188 PolarHBondContact O-N 2.7Å; D188-D190 PolarHBondContact O-N 2.9Å; D188-D191 WeakPolarHBondContact O-CB 3.37Å; D188-D191 PolarHBondContact O-N 3.38Å; D188-D191 VanDerWaalsContact O-N 3.12Å
189P87.5Confident89.1Confident109 Ų10982.4 Ų82.471%0.70844%0.439SS*.THydrogen-bonded Turntrans-66.2-21.2-176.627.6-35.2000113D191P189-D191 VanDerWaalsContact C-N 3.25Å; P189-D191 PolarHBondContact O-N 2.89Å
190D86.8Confident88.9Confident151 Ų15184.5 Ų84.581%0.80745%0.449SS*.THydrogen-bonded Turntrans-77.3-9.3176.9-55.4-47.5000112.9D188 P192D188-D190 PolarHBondContact O-N 2.9Å; D190-P192 WeakPolarHBondContact O-CD 3.42Å
191D88.6Confident89Confident62 Ų6282.8 Ų82.833%0.33243%0.432SS..SBendtrans-71.1122.1171.8-173.4-11.6000108.6T187 D188 P189 L193 A194T187-D191 HydrophobicContact CG2-CB 4.13Å; D188-D191 WeakPolarHBondContact O-CB 3.37Å; D188-D191 PolarHBondContact O-N 3.38Å; D188-D191 VanDerWaalsContact O-N 3.12Å; P189-D191 VanDerWaalsContact C-N 3.25Å; P189-D191 PolarHBondContact O-N 2.89Å; D191-L193 PolarHBondContact O-N 3.5Å; D191-L193 VanDerWaalsContact OD1-CB 3.23Å; D191-L193 WeakPolarHBondContact OD1-CB 3.24Å; D191-L193 PolarHBondContact OD1-N 3.36Å; D191-A194 VanDerWaalsContact O-CB 3.26Å; D191-A194 WeakPolarHBondContact O-CB 3.35Å; D191-A194 PolarHBondContact O-N 3.24Å
192P83.3Confident88.8Confident103 Ų10377.2 Ų77.267%0.66941%0.41SS*.THydrogen-bonded Turntrans-57.7-15.5175.725.1-36.4000113D190 A194 P208D190-P192 WeakPolarHBondContact O-CD 3.42Å; P192-A194 VanDerWaalsContact C-N 3.32Å; P192-P208 WeakPolarHBondContact O-CB 3.39Å; P192-P208 VanDerWaalsContact O-CG 3.23Å; P192-P208 WeakPolarHBondContact O-CG 3.49Å
193L86.2Confident88.7Confident53 Ų5375.8 Ų75.828%0.27741%0.405SS..THydrogen-bonded Turntrans-77.5-13.3174.6-161.562.2000114.2D191 Q196 P208 V209D191-L193 PolarHBondContact O-N 3.5Å; D191-L193 VanDerWaalsContact OD1-CB 3.23Å; D191-L193 WeakPolarHBondContact OD1-CB 3.24Å; D191-L193 PolarHBondContact OD1-N 3.36Å; L193-Q196 PolarHBondContact O-NE2 2.97Å; L193-P208 HydrophobicContact CD1-CB 4.47Å; L193-P208 HydrophobicContact CD1-CG 4.46Å; L193-V209 HydrophobicContact CD1-CB 4.19Å; L193-V209 HydrophobicContact CD1-CG2 3.43Å; L193-V209 VanDerWaalsContact CD1-CG2 3.43Å
194A81.6Confident88.4Confident47 Ų4773.3 Ų73.339%0.38840%0.398SS..SBendtrans-77.1-36.9-173.900000112.7T187 D191 P192 Q196T187-A194 HydrophobicContact CG2-CB 4.49Å; D191-A194 VanDerWaalsContact O-CB 3.26Å; D191-A194 WeakPolarHBondContact O-CB 3.35Å; D191-A194 PolarHBondContact O-N 3.24Å; P192-A194 VanDerWaalsContact C-N 3.32Å; A194-Q196 PolarHBondContact O-N 3.23Å
195D78.4Confident88.2Confident137 Ų13772.1 Ų72.173%0.73339%0.393SS*.  trans-83.5107.1176.6-163.75.7000110.4
196Q82.3Confident88Confident81 Ų8171.4 Ų71.438%0.37940%0.396SS..  trans-132.785.6-177.2-74.4-173.923.800110.4L193 A194 P208L193-Q196 PolarHBondContact O-NE2 2.97Å; A194-Q196 PolarHBondContact O-N 3.23Å; Q196-P208 HydrophobicContact CG-CG 4.48Å
197N90.1Very high87.9Confident70 Ų7069.1 Ų69.137%0.37438%0.381SS..  trans-68.6135.9171.2-176.50.2000111K199 D200 R201N197-K199 VanDerWaalsContact C-N 3.3Å; N197-K199 PolarHBondContact O-N 3.46Å; N197-K199 PolarHBondContact OD1-N 3.38Å; N197-K199 VanDerWaalsContact OD1-N 3.16Å; N197-D200 HydrophobicContact CB-CB 4.1Å; N197-D200 WeakPolarHBondContact CB-OD2 3.33Å; N197-D200 PolarHBondContact ND2-OD2 3.35Å; N197-D200 PolarHBondContact O-N 3.02Å; N197-R201 WeakPolarHBondContact O-CG 3.43Å; N197-R201 PolarHBondContact O-N 3.34Å
198I89.9Confident88Confident50 Ų5065.9 Ų65.926%0.25636%0.362SS..Hα-helixtrans-66.5-32.9-178.6-161.1162.7000112.6K46 E69 L85 Y202K46-I198 HydrophobicContact CB-CD1 3.89Å; K46-I198 HydrophobicContact CB-CG2 4.06Å; K46-I198 HydrophobicContact CG-CD1 4Å; E69-I198 HydrophobicContact CB-CD1 4.26Å; L85-I198 HydrophobicContact CD1-CD1 4.13Å; L85-I198 HydrophobicContact CD1-CG1 3.43Å; L85-I198 VanDerWaalsContact CD1-CG1 3.43Å; I198-Y202 WeakPolarHBondContact O-CB 3.42Å; I198-Y202 PolarHBondContact O-N 2.91Å; I198-Y202 VanDerWaalsContact O-N 3.15Å
199K91.7Very high88.1Confident93 Ų9364 Ų6440%0.40435%0.353SS..Hα-helixtrans-71.2-45.3179.2-68.3-177.6-178.8178.10110.7I47 N197 R201 Y202 Y203I47-K199 HydrophobicContact CD1-CG 4.29Å; N197-K199 VanDerWaalsContact C-N 3.3Å; N197-K199 PolarHBondContact O-N 3.46Å; N197-K199 PolarHBondContact OD1-N 3.38Å; N197-K199 VanDerWaalsContact OD1-N 3.16Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-R201 PolarHBondContact O-N 3.26Å; K199-Y202 WeakPolarHBondContact O-CB 3.46Å; K199-Y202 PolarHBondContact O-N 3.14Å; K199-Y203 HydrophobicContact CB-CD2 4.18Å; K199-Y203 HydrophobicContact CB-CE2 4.11Å; K199-Y203 WeakPolarHBondContact O-CD2 3.4Å; K199-Y203 PolarHBondContact O-N 2.6Å
200D91.9Very high88.4Confident59 Ų5958.8 Ų58.832%0.31632%0.319SS..Hα-helixtrans-62.4-42.8-179-63.5-23.1000111.1N197 Y202 G204 I205N197-D200 HydrophobicContact CB-CB 4.1Å; N197-D200 WeakPolarHBondContact CB-OD2 3.33Å; N197-D200 PolarHBondContact ND2-OD2 3.35Å; N197-D200 PolarHBondContact O-N 3.02Å; D200-Y202 VanDerWaalsContact C-N 3.3Å; D200-Y202 PolarHBondContact O-N 3.33Å; D200-G204 PolarHBondContact O-N 2.84Å; D200-I205 WeakPolarHBondContact CB-O 3.32Å; D200-I205 PolarHBondContact O-N 2.9Å; D200-I205 VanDerWaalsContact O-N 3.16Å
201R92.5Very high88.6Confident42 Ų4255.1 Ų55.116%0.15830%0.3CS..Hα-helixtrans-63.2-31.1172-67.9-177.962.4-133.3-15114.1C84 N197 K199C84-R201 PolarHBondContact O-NH2 3.23Å; N197-R201 WeakPolarHBondContact O-CG 3.43Å; N197-R201 PolarHBondContact O-N 3.34Å; K199-R201 VanDerWaalsContact C-N 3.33Å; K199-R201 PolarHBondContact O-N 3.26Å
202Y92.9Very high88.8Confident1 Ų158 Ų580%0.00431%0.309CS..Hα-helixtrans-79.2-45.7179.4-179.1-97000112.6I47 C74 K78 V80 L85 I94 I107 I198 K199 D200 G204I47-Y202 HydrophobicContact CB-CD1 4.39Å; I47-Y202 HydrophobicContact CB-CE1 4.44Å; I47-Y202 VanDerWaalsContact CD1-CB 3.47Å; I47-Y202 HydrophobicContact CD1-CD1 3.78Å; I47-Y202 HydrophobicContact CD1-CD2 4.22Å; I47-Y202 HydrophobicContact CD1-CG 3.54Å; I47-Y202 HydrophobicContact CG1-CD1 3.83Å; I47-Y202 HydrophobicContact CG1-CD2 3.95Å; I47-Y202 HydrophobicContact CG1-CE1 4.21Å; I47-Y202 HydrophobicContact CG1-CE2 4.31Å; I47-Y202 HydrophobicContact CG1-CG 3.69Å; I47-Y202 HydrophobicContact CG2-CD1 3.67Å; I47-Y202 HydrophobicContact CG2-CE1 3.56Å; I47-Y202 HydrophobicContact CG2-CG 4.42Å; C74-Y202 WeakPolarHBondContact CA-OH 3.48Å; C74-Y202 HydrophobicContact CB-CE2 4.25Å; C74-Y202 WeakPolarHBondContact O-CE2 3.36Å; C74-Y202 PolarHBondContact O-OH 3.46Å; K78-Y202 HydrophobicContact CB-CE2 4.28Å; K78-Y202 HydrophobicContact CG-CE1 4.43Å; K78-Y202 HydrophobicContact CG-CE2 4.19Å; V80-Y202 HydrophobicContact CG2-CE2 4.37Å; L85-Y202 HydrophobicContact CD2-CD2 4.33Å; I94-Y202 HydrophobicContact CD1-CD2 4.25Å; I94-Y202 WeakPolarHBondContact CD1-O 3.22Å; I107-Y202 HydrophobicContact CD1-CE1 4.14Å; I198-Y202 WeakPolarHBondContact O-CB 3.42Å; I198-Y202 PolarHBondContact O-N 2.91Å; I198-Y202 VanDerWaalsContact O-N 3.15Å; K199-Y202 WeakPolarHBondContact O-CB 3.46Å; K199-Y202 PolarHBondContact O-N 3.14Å; D200-Y202 VanDerWaalsContact C-N 3.3Å; D200-Y202 PolarHBondContact O-N 3.33Å; Y202-G204 VanDerWaalsContact C-N 3.26Å; Y202-G204 PolarHBondContact O-N 3.08Å
203Y91.1Very high89.2Confident31 Ų3154.2 Ų54.212%0.12228%0.283CS..Hα-helixtrans-78.5-14179.7-64.7-66.6000112.5I107 K114 K199 I205I107-Y203 HydrophobicContact CB-CD1 4.21Å; I107-Y203 HydrophobicContact CB-CE1 4.03Å; I107-Y203 HydrophobicContact CG2-CD1 4.48Å; I107-Y203 HydrophobicContact CG2-CE1 3.8Å; K114-Y203 WeakPolarHBondContact CD-OH 3.19Å; K199-Y203 HydrophobicContact CB-CD2 4.18Å; K199-Y203 HydrophobicContact CB-CE2 4.11Å; K199-Y203 WeakPolarHBondContact O-CD2 3.4Å; K199-Y203 PolarHBondContact O-N 2.6Å; Y203-I205 HydrophobicContact CG-CD1 4.47Å
204G88.6Confident89.5Confident15 Ų1553.3 Ų53.316%0.15528%0.279CS..THydrogen-bonded Turntrans75.534.817800000113.2Q95 D200 Y202Q95-G204 WeakPolarHBondContact CB-O 3.17Å; Q95-G204 VanDerWaalsContact CG-O 3.31Å; Q95-G204 WeakPolarHBondContact CG-O 3.26Å; D200-G204 PolarHBondContact O-N 2.84Å; Y202-G204 VanDerWaalsContact C-N 3.26Å; Y202-G204 PolarHBondContact O-N 3.08Å
205I88.7Confident90.1Very high44 Ų4458.4 Ų58.423%0.22629%0.292CS..SBendtrans-114.8132175.4-61.6105.8000108.1R109 D200 Y203 D207R109-I205 VanDerWaalsContact CZ-CD1 3.45Å; R109-I205 VanDerWaalsContact NH2-CG1 3.28Å; D200-I205 WeakPolarHBondContact CB-O 3.32Å; D200-I205 PolarHBondContact O-N 2.9Å; D200-I205 VanDerWaalsContact O-N 3.16Å; Y203-I205 HydrophobicContact CG-CD1 4.47Å; I205-D207 VanDerWaalsContact C-N 3.25Å; I205-D207 PolarHBondContact O-N 2.6Å
206N86.3Confident90.7Very high125 Ų12558.3 Ų58.367%0.66828%0.281SS*.SBendtrans51.540.4173.6-56.4-15.9000113.3P208N206-P208 VanDerWaalsContact O-CD 3.26Å; N206-P208 WeakPolarHBondContact O-CD 3.33Å
207D89.7Confident91.1Very high2 Ų255.2 Ų55.21%0.01127%0.27CS..  trans-82.8110.4171.6-178.7-7.8000109.1Q95 I205 V209 A210 D211Q95-D207 VanDerWaalsContact OE1-N 3.08Å; I205-D207 VanDerWaalsContact C-N 3.25Å; I205-D207 PolarHBondContact O-N 2.6Å; D207-V209 PolarHBondContact O-N 3.35Å; D207-V209 VanDerWaalsContact O-N 3.17Å; D207-V209 VanDerWaalsContact OD1-CB 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.44Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.42Å; D207-V209 PolarHBondContact OD1-N 3.12Å; D207-A210 HydrophobicContact CB-CB 3.77Å; D207-A210 WeakPolarHBondContact O-CA 3.47Å; D207-A210 VanDerWaalsContact O-CB 3.31Å; D207-A210 WeakPolarHBondContact O-CB 3.2Å; D207-A210 PolarHBondContact O-N 3.08Å; D207-D211 PolarHBondContact O-N 3.45Å
208P91.3Very high91Very high28 Ų2855.7 Ų55.718%0.18228%0.279CS..Hα-helixtrans-63.2-27.2-177.626.5-35.7000112.3P192 L193 Q196 N206 A210 K212P192-P208 WeakPolarHBondContact O-CB 3.39Å; P192-P208 VanDerWaalsContact O-CG 3.23Å; P192-P208 WeakPolarHBondContact O-CG 3.49Å; L193-P208 HydrophobicContact CD1-CB 4.47Å; L193-P208 HydrophobicContact CD1-CG 4.46Å; Q196-P208 HydrophobicContact CG-CG 4.48Å; N206-P208 VanDerWaalsContact O-CD 3.26Å; N206-P208 WeakPolarHBondContact O-CD 3.33Å; P208-A210 VanDerWaalsContact C-N 3.35Å; P208-K212 WeakPolarHBondContact O-CB 3.38Å; P208-K212 PolarHBondContact O-N 3.41Å
209V91.4Very high91Very high40 Ų4058.3 Ų58.324%0.24230%0.297CS..Hα-helixtrans-66.1-43.6173.1-174.60000109.5P93 L193 D207 L213P93-V209 HydrophobicContact CG-CB 4.46Å; P93-V209 HydrophobicContact CG-CG1 4.03Å; L193-V209 HydrophobicContact CD1-CB 4.19Å; L193-V209 HydrophobicContact CD1-CG2 3.43Å; L193-V209 VanDerWaalsContact CD1-CG2 3.43Å; D207-V209 PolarHBondContact O-N 3.35Å; D207-V209 VanDerWaalsContact O-N 3.17Å; D207-V209 VanDerWaalsContact OD1-CB 3.24Å; D207-V209 WeakPolarHBondContact OD1-CB 3.44Å; D207-V209 WeakPolarHBondContact OD1-CG2 3.42Å; D207-V209 PolarHBondContact OD1-N 3.12Å; V209-L213 HydrophobicContact CG1-CD1 4.3Å; V209-L213 VanDerWaalsContact O-CD1 3.31Å; V209-L213 WeakPolarHBondContact O-CD1 3.26Å; V209-L213 PolarHBondContact O-N 2.96Å; V209-L213 VanDerWaalsContact O-N 3.15Å
210A92.8Very high90.7Very high0 Ų056.4 Ų56.40%029%0.29CS..Hα-helixtrans-66-45.2-179.600000111.3P93 Q95 V96 D207 P208 K212 L213 L214P93-A210 HydrophobicContact CB-CB 4.07Å; P93-A210 HydrophobicContact CG-CB 4.47Å; Q95-A210 HydrophobicContact CB-CB 3.7Å; Q95-A210 HydrophobicContact CG-CB 4.05Å; V96-A210 HydrophobicContact CG2-CB 3.62Å; D207-A210 HydrophobicContact CB-CB 3.77Å; D207-A210 WeakPolarHBondContact O-CA 3.47Å; D207-A210 VanDerWaalsContact O-CB 3.31Å; D207-A210 WeakPolarHBondContact O-CB 3.2Å; D207-A210 PolarHBondContact O-N 3.08Å; P208-A210 VanDerWaalsContact C-N 3.35Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.4Å; A210-L213 CarbonylContact O-C 3.6Å; A210-L213 WeakPolarHBondContact O-CA 3.46Å; A210-L213 WeakPolarHBondContact O-CB 3.45Å; A210-L213 PolarHBondContact O-N 3.1Å; A210-L214 WeakPolarHBondContact O-CG 3.45Å; A210-L214 PolarHBondContact O-N 2.88Å
211D92.4Very high90.4Very high74 Ų7457.8 Ų57.840%0.39630%0.303SS..Hα-helixtrans-60.5-40.5179.1-65.5-23.5000111.7Q95 D207 L213 L214 K215Q95-D211 PolarHBondContact NE2-OD1 3.37Å; D207-D211 PolarHBondContact O-N 3.45Å; D211-L213 VanDerWaalsContact C-N 3.32Å; D211-L213 PolarHBondContact O-N 3.24Å; D211-L214 PolarHBondContact O-N 3.06Å; D211-K215 VanDerWaalsContact O-CB 3.32Å; D211-K215 WeakPolarHBondContact O-CB 3.12Å; D211-K215 PolarHBondContact O-N 3.47Å
212K92.6Very high89.9Confident123 Ų12364.3 Ų64.354%0.53533%0.327SS..Hα-helixtrans-63.7-36.4174.1-171.9171.3-173.61660112.6P208 A210 R216P208-K212 WeakPolarHBondContact O-CB 3.38Å; P208-K212 PolarHBondContact O-N 3.41Å; A210-K212 VanDerWaalsContact C-N 3.3Å; A210-K212 PolarHBondContact O-N 3.4Å; K212-R216 WeakPolarHBondContact O-CB 3.48Å; K212-R216 PolarHBondContact O-N 2.94Å
213L92Very high89.3Confident23 Ų2365.9 Ų65.912%0.1234%0.336CS..Hα-helixtrans-72.5-40.3176.7-98.566.5000111.9L92 P93 V96 V209 A210 D211 R216 A217L92-L213 HydrophobicContact CD2-CD2 3.73Å; P93-L213 HydrophobicContact CG-CD2 4.38Å; V96-L213 HydrophobicContact CG2-CB 3.83Å; V96-L213 HydrophobicContact CG2-CD2 4.18Å; V209-L213 HydrophobicContact CG1-CD1 4.3Å; V209-L213 VanDerWaalsContact O-CD1 3.31Å; V209-L213 WeakPolarHBondContact O-CD1 3.26Å; V209-L213 PolarHBondContact O-N 2.96Å; V209-L213 VanDerWaalsContact O-N 3.15Å; A210-L213 CarbonylContact O-C 3.6Å; A210-L213 WeakPolarHBondContact O-CA 3.46Å; A210-L213 WeakPolarHBondContact O-CB 3.45Å; A210-L213 PolarHBondContact O-N 3.1Å; D211-L213 VanDerWaalsContact C-N 3.32Å; D211-L213 PolarHBondContact O-N 3.24Å; L213-R216 WeakPolarHBondContact O-CB 3.41Å; L213-R216 PolarHBondContact O-N 2.56Å; L213-A217 PolarHBondContact O-N 3.19Å
214L92.4Very high88.9Confident35 Ų3569 Ų6918%0.18335%0.354CS..Hα-helixtrans-65-42.5174.9-70.5174.2000111V96 T99 M146 A210 D211 R216 A217 S218V96-L214 HydrophobicContact CG1-CD2 4.31Å; V96-L214 HydrophobicContact CG2-CG 4.36Å; T99-L214 HydrophobicContact CG2-CD2 3.98Å; M146-L214 HydrophobicContact CE-CD2 3.53Å; A210-L214 WeakPolarHBondContact O-CG 3.45Å; A210-L214 PolarHBondContact O-N 2.88Å; D211-L214 PolarHBondContact O-N 3.06Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 3.01Å; L214-A217 CarbonylContact O-C 3.46Å; L214-A217 WeakPolarHBondContact O-CB 3.48Å; L214-A217 PolarHBondContact O-N 3.39Å; L214-A217 VanDerWaalsContact O-N 3.11Å; L214-S218 PolarHBondContact O-N 2.94Å
215K92.9Very high88.6Confident154 Ų15471.8 Ų71.867%0.6737%0.369SS*.Hα-helixtrans-61.3-37.7173-167.5173.3-167.7174.20112.1D211 S218 T219D211-K215 VanDerWaalsContact O-CB 3.32Å; D211-K215 WeakPolarHBondContact O-CB 3.12Å; D211-K215 PolarHBondContact O-N 3.47Å; K215-S218 WeakPolarHBondContact CA-OG 3.29Å; K215-S218 PolarHBondContact O-N 3.09Å; K215-S218 PolarHBondContact O-OG 3.49Å; K215-T219 WeakPolarHBondContact O-CG2 3.48Å; K215-T219 PolarHBondContact O-N 3.21Å; K215-T219 PolarHBondContact O-OG1 3.49Å
216R91.8Very high88.3Confident134 Ų13470.7 Ų70.751%0.50637%0.365SS..Hα-helixtrans-65-42.7172.9-174.7-177.4-62.9171.2-2111.5K212 L213 L214 T219 M220K212-R216 WeakPolarHBondContact O-CB 3.48Å; K212-R216 PolarHBondContact O-N 2.94Å; L213-R216 WeakPolarHBondContact O-CB 3.41Å; L213-R216 PolarHBondContact O-N 2.56Å; L214-R216 VanDerWaalsContact C-N 3.29Å; L214-R216 PolarHBondContact O-N 3.01Å; R216-T219 WeakPolarHBondContact CA-OG1 3.46Å; R216-T219 PolarHBondContact O-N 3.29Å; R216-T219 PolarHBondContact O-OG1 3.37Å; R216-M220 WeakPolarHBondContact O-CG 3.41Å; R216-M220 PolarHBondContact O-N 3.27Å
217A89.9Confident88Confident16 Ų1673.9 Ų73.913%0.13238%0.376CS..Hα-helixtrans-65.1-38176.700000112.8M146 L150 L213 L214 T219 M220M146-A217 HydrophobicContact CE-CB 3.48Å; M146-A217 VanDerWaalsContact CE-CB 3.48Å; M146-A217 HydrophobicContact CG-CB 4.13Å; M146-A217 HydrophobicContact SD-CB 4.13Å; L150-A217 HydrophobicContact CD1-CB 3.92Å; L150-A217 HydrophobicContact CD2-CB 4.26Å; L150-A217 HydrophobicContact CG-CB 4.32Å; L213-A217 PolarHBondContact O-N 3.19Å; L214-A217 CarbonylContact O-C 3.46Å; L214-A217 WeakPolarHBondContact O-CB 3.48Å; L214-A217 PolarHBondContact O-N 3.39Å; L214-A217 VanDerWaalsContact O-N 3.11Å; A217-T219 PolarHBondContact O-N 3.44Å; A217-M220 WeakPolarHBondContact O-CB 2.91Å; A217-M220 PolarHBondContact O-N 3.08Å; A217-M220 VanDerWaalsContact O-N 3.07Å
218S89.1Confident87.7Confident81 Ų8178.3 Ų78.357%0.56640%0.4SS*.Hα-helixtrans-65.7-29.8176.366.60000112.6L214 K215 M220L214-S218 PolarHBondContact O-N 2.94Å; K215-S218 WeakPolarHBondContact CA-OG 3.29Å; K215-S218 PolarHBondContact O-N 3.09Å; K215-S218 PolarHBondContact O-OG 3.49Å; S218-M220 VanDerWaalsContact C-N 3.34Å
219T89.8Confident87.1Confident105 Ų10585.1 Ų85.164%0.64443%0.427SS*.THydrogen-bonded Turntrans-83.3-5.7173.857.40000114K215 R216 A217K215-T219 WeakPolarHBondContact O-CG2 3.48Å; K215-T219 PolarHBondContact O-N 3.21Å; K215-T219 PolarHBondContact O-OG1 3.49Å; R216-T219 WeakPolarHBondContact CA-OG1 3.46Å; R216-T219 PolarHBondContact O-N 3.29Å; R216-T219 PolarHBondContact O-OG1 3.37Å; A217-T219 PolarHBondContact O-N 3.44Å
220M85.4Confident86.8Confident52 Ų5288.1 Ų88.126%0.25645%0.45SS..SBendtrans-64.7142175.9-74.7-176.5-179.400109.4K149 L150 R216 A217 S218 R222K149-M220 HydrophobicContact CB-CE 4.3Å; K149-M220 HydrophobicContact CB-SD 4.06Å; K149-M220 HydrophobicContact CD-SD 4.46Å; L150-M220 HydrophobicContact CD2-CE 3.47Å; L150-M220 VanDerWaalsContact CD2-CE 3.47Å; L150-M220 HydrophobicContact CG-CE 4.02Å; R216-M220 WeakPolarHBondContact O-CG 3.41Å; R216-M220 PolarHBondContact O-N 3.27Å; A217-M220 WeakPolarHBondContact O-CB 2.91Å; A217-M220 PolarHBondContact O-N 3.08Å; A217-M220 VanDerWaalsContact O-N 3.07Å; S218-M220 VanDerWaalsContact C-N 3.34Å; M220-R222 PolarHBondContact O-N 3.28Å
221P84.8Confident86.5Confident89 Ų8989.1 Ų89.158%0.57845%0.454SS*.  trans-57.9128.6176.125.3-33.2000108.4F288P221-F288 HydrophobicContact CB-CE1 4.06Å; P221-F288 HydrophobicContact CB-CZ 4.23Å; P221-F288 VanDerWaalsContact O-CE1 3.32Å; P221-F288 WeakPolarHBondContact O-CE1 3.22Å
222R82.4Confident86.4Confident178 Ų17886.1 Ų86.167%0.67244%0.44SS*.  trans-124.8152.6169.763.9-179.8-178.4-159.3-9108.5M220 D224M220-R222 PolarHBondContact O-N 3.28Å; R222-D224 IonicContact CZ-OD1 3.05Å; R222-D224 IonicContact NE-OD1 2.6Å; R222-D224 PolarHBondContact NE-OD1 2.98Å; R222-D224 IonicContact NH2-OD1 3.9Å; R222-D224 PolarHBondContact O-N 3.36Å
223L81.1Confident86.3Confident35 Ų3582 Ų8218%0.18342%0.424CS..  trans-84.9105.3168-92.8167.2000107.7A284 F288 V300 W302L223-A284 HydrophobicContact CD1-CB 4.14Å; L223-F288 HydrophobicContact CB-CD2 4.46Å; L223-F288 HydrophobicContact CB-CG 4.42Å; L223-F288 HydrophobicContact CD1-CB 3.85Å; L223-F288 HydrophobicContact CD1-CD2 3.19Å; L223-F288 HydrophobicContact CD1-CE2 3.82Å; L223-F288 HydrophobicContact CD1-CG 3.65Å; L223-F288 HydrophobicContact CD2-CE2 4.36Å; L223-F288 HydrophobicContact CG-CB 4.49Å; L223-F288 HydrophobicContact CG-CD1 4.4Å; L223-F288 HydrophobicContact CG-CD2 3.47Å; L223-F288 VanDerWaalsContact CG-CD2 3.47Å; L223-F288 HydrophobicContact CG-CE2 3.62Å; L223-F288 HydrophobicContact CG-CG 3.88Å; L223-F288 HydrophobicContact CG-CZ 4.15Å; L223-V300 HydrophobicContact CD1-CG1 4.28Å; L223-W302 VanDerWaalsContact CD2-CD1 3.49Å; L223-W302 HydrophobicContact CD2-CG 4.34Å
224D82.1Confident86.3Confident97 Ų9780.9 Ų80.952%0.51942%0.419SS..PPolyproline II helixtrans-71.5135.6168-61-53.5000108.6R222 W302R222-D224 IonicContact CZ-OD1 3.05Å; R222-D224 IonicContact NE-OD1 2.6Å; R222-D224 PolarHBondContact NE-OD1 2.98Å; R222-D224 IonicContact NH2-OD1 3.9Å; R222-D224 PolarHBondContact O-N 3.36Å; D224-W302 PolarHBondContact O-NE1 3.42Å
225P81.4Confident86.4Confident72 Ų7282.2 Ų82.247%0.46842%0.422SS..PPolyproline II helixtrans-64.6147.7179.727.3-34000110.6W302P225-W302 HydrophobicContact CB-CZ2 4.49Å
226P82.9Confident86.3Confident22 Ų2274.9 Ų74.914%0.14339%0.39CS..PPolyproline II helixtrans-64142.917926.2-33000110.3D228 I231 R277 W302P226-D228 PolarHBondContact O-N 2.8Å; P226-I231 HydrophobicContact CB-CB 4.36Å; P226-I231 HydrophobicContact CB-CD1 4.25Å; P226-I231 HydrophobicContact CG-CB 4.04Å; P226-I231 HydrophobicContact CG-CG2 4.2Å; P226-R277 PolarHBondContact O-NH2 3.3Å; P226-W302 VanDerWaalsContact CD-CE2 3.41Å; P226-W302 HydrophobicContact CG-CD2 3.98Å; P226-W302 HydrophobicContact CG-CE3 3.86Å; P226-W302 HydrophobicContact CG-CG 4.33Å; P226-W302 HydrophobicContact CG-CZ3 4.22Å
227E81Confident86.3Confident191 Ų19168.5 Ų68.589%0.89337%0.366SS*.SBendtrans-59.7-40.4174.2-63.6-175172.700110.4K229E227-K229 PolarHBondContact O-N 2.82Å
228D81.9Confident86.3Confident95 Ų9569.6 Ų69.651%0.50838%0.379SS..  trans-70.6112.8176.7-72.2-28.3000112.2P226 S230 I231P226-D228 PolarHBondContact O-N 2.8Å; D228-S230 PolarHBondContact O-N 2.88Å; D228-I231 HydrophobicContact CB-CD1 3.67Å; D228-I231 HydrophobicContact CB-CG1 3.81Å; D228-I231 PolarHBondContact O-N 3.11Å
229K79.2Confident86.1Confident171 Ų17165.9 Ų65.974%0.74335%0.353SS*.THydrogen-bonded Turntrans-73.1-11.7-176.8-40.5-159.5172.3170.20115.8E227E227-K229 PolarHBondContact O-N 2.82Å
230S84.3Confident85.8Confident104 Ų10461.6 Ų61.673%0.72733%0.329SS*.THydrogen-bonded Turntrans-81.8-15.6176.756.60000113D228 S232D228-S230 PolarHBondContact O-N 2.88Å; S230-S232 PolarHBondContact O-N 2.89Å; S230-S232 VanDerWaalsContact O-N 3.16Å
231I86.6Confident85.8Confident20 Ų2065.2 Ų65.210%0.10335%0.349CS..  trans-78.6104.4-177.7-58.8-178.7000109.3P226 D228 G303P226-I231 HydrophobicContact CB-CB 4.36Å; P226-I231 HydrophobicContact CB-CD1 4.25Å; P226-I231 HydrophobicContact CG-CB 4.04Å; P226-I231 HydrophobicContact CG-CG2 4.2Å; D228-I231 HydrophobicContact CB-CD1 3.67Å; D228-I231 HydrophobicContact CB-CG1 3.81Å; D228-I231 PolarHBondContact O-N 3.11Å; I231-G303 VanDerWaalsContact CG2-O 3.25Å; I231-G303 WeakPolarHBondContact CG2-O 3.28Å
232S90.5Very high85.8Confident12 Ų1264.3 Ų64.38%0.08434%0.343CS..  trans-111.117.2168.766.50000112.4S230 F274S230-S232 PolarHBondContact O-N 2.89Å; S230-S232 VanDerWaalsContact O-N 3.16Å; S232-F274 WeakPolarHBondContact CB-O 3.42Å; S232-F274 PolarHBondContact O-N 3.38Å; S232-F274 PolarHBondContact OG-O 3.31Å
233T91.5Very high86Confident35 Ų3556.5 Ų56.522%0.21531%0.314CS..EExtended strand (participates in β ladder)trans-97127.2-178.1-50.60000110.9F271 I272 G303T233-F271 HydrophobicContact CG2-CB 4.12Å; T233-F271 HydrophobicContact CG2-CD1 4.22Å; T233-I272 CarbonylContact C-O 3.5Å; T233-I272 VanDerWaalsContact CA-O 3.27Å; T233-I272 WeakPolarHBondContact CA-O 3.25Å; T233-G303 WeakPolarHBondContact O-CA 3.4Å; T233-G303 PolarHBondContact O-N 3.47Å
234L92.4Very high86.4Confident0 Ų058.4 Ų58.40%033%0.328CS..EExtended strand (participates in β ladder)trans-102.4133.7170.7-60.3-173.3000110.3F252 F271 I272 F274 A283 A284 V300 W302L234-F252 HydrophobicContact CD1-CE1 4.39Å; L234-F271 WeakPolarHBondContact O-CA 3.32Å; L234-I272 PolarHBondContact N-O 2.89Å; L234-I272 PolarHBondContact O-N 2.95Å; L234-F274 HydrophobicContact CD1-CD2 4.45Å; L234-F274 HydrophobicContact CD1-CE2 3.73Å; L234-F274 HydrophobicContact CG-CD2 4.44Å; L234-F274 HydrophobicContact CG-CE2 4.11Å; L234-A283 HydrophobicContact CD1-CB 3.85Å; L234-A284 HydrophobicContact CD1-CB 4.43Å; L234-A284 HydrophobicContact CD2-CB 4Å; L234-V300 HydrophobicContact CD1-CG1 4.36Å; L234-W302 HydrophobicContact CD2-CD2 4.01Å; L234-W302 HydrophobicContact CD2-CE3 3.46Å; L234-W302 VanDerWaalsContact CD2-CE3 3.46Å; L234-W302 HydrophobicContact CD2-CH2 4.1Å; L234-W302 HydrophobicContact CD2-CZ3 3.52Å
235Y92.6Very high86.7Confident63 Ų6357.2 Ų57.225%0.24732%0.321CS..EExtended strand (participates in β ladder)trans-90.1129.6167.6169.4-90.2000109.3C269 F271 V300 K301Y235-C269 HydrophobicContact CD2-CB 4.29Å; Y235-C269 HydrophobicContact CE2-CB 3.43Å; Y235-C269 VanDerWaalsContact CE2-CB 3.43Å; Y235-F271 HydrophobicContact CD2-CD1 4.38Å; Y235-F271 AromaticContact CD2-CE1 3.7Å; Y235-F271 HydrophobicContact CD2-CE1 3.7Å; Y235-F271 AromaticContact CD2-CZ 3.84Å; Y235-F271 HydrophobicContact CD2-CZ 3.84Å; Y235-F271 HydrophobicContact CE2-CZ 4.34Å; Y235-V300 CarbonylContact O-C 3.58Å; Y235-V300 WeakPolarHBondContact O-CA 3.37Å; Y235-K301 HydrophobicContact CD1-CB 3.93Å; Y235-K301 HydrophobicContact CD1-CD 4.26Å; Y235-K301 HydrophobicContact CD1-CG 4.23Å; Y235-K301 HydrophobicContact CE1-CD 4.46Å; Y235-K301 PolarHBondContact N-O 2.96Å; Y235-K301 PolarHBondContact O-N 3.08Å
236I92.2Very high87.1Confident0 Ų056 Ų560%032%0.322CS..EExtended strand (participates in β ladder)trans-118.3116.7174.7-52175.3000107.5L239 L248 F252 C269 A270 I272 L298 T299I236-L239 HydrophobicContact CB-CD1 3.88Å; I236-L239 HydrophobicContact CG2-CD1 3.5Å; I236-L239 VanDerWaalsContact CG2-CD1 3.5Å; I236-L239 VanDerWaalsContact O-CD1 3.31Å; I236-L239 WeakPolarHBondContact O-CD1 3.44Å; I236-L248 HydrophobicContact CD1-CD2 4.1Å; I236-F252 HydrophobicContact CD1-CD2 4.27Å; I236-F252 HydrophobicContact CD1-CE2 3.37Å; I236-F252 HydrophobicContact CD1-CZ 3.57Å; I236-F252 HydrophobicContact CG1-CZ 4.41Å; I236-C269 CarbonylContact O-C 3.48Å; I236-C269 WeakPolarHBondContact O-CA 3.31Å; I236-C269 WeakPolarHBondContact O-CB 3.47Å; I236-A270 HydrophobicContact CB-CB 4.43Å; I236-A270 PolarHBondContact N-O 3.28Å; I236-A270 PolarHBondContact O-N 3.49Å; I236-I272 HydrophobicContact CD1-CD1 3.34Å; I236-I272 HydrophobicContact CD1-CG1 3.82Å; I236-L298 HydrophobicContact CG2-CB 3.91Å; I236-L298 HydrophobicContact CG2-CD1 3.99Å; I236-L298 HydrophobicContact CG2-CG 4.43Å; I236-T299 CarbonylContact C-O 3.56Å; I236-T299 VanDerWaalsContact CA-O 3.27Å; I236-T299 WeakPolarHBondContact CA-O 3.39Å
237G91.3Very high87.4Confident1 Ų157.6 Ų57.61%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-106.4151.7176.300000111.9T299G237-T299 WeakPolarHBondContact CA-OG1 3.4Å; G237-T299 PolarHBondContact N-O 2.83Å; G237-T299 PolarHBondContact O-N 2.69Å; G237-T299 PolarHBondContact O-OG1 3.42Å
238G89.1Confident87.9Confident39 Ų3948.5 Ų48.540%0.40229%0.287SS..  trans84.624.8176.200000114.1G240 Q268 L298G238-G240 PolarHBondContact O-N 3.26Å; G238-Q268 PolarHBondContact N-O 2.91Å; G238-Q268 VanDerWaalsContact N-O 3.1Å; G238-L298 WeakPolarHBondContact O-CD2 3.15Å
239L86Confident88.3Confident3 Ų349.4 Ų49.42%0.01629%0.286CS..  trans-55.8-41.9175.9-89.670.2000111.5I236 V243 L248 I263 Q268 A270I236-L239 HydrophobicContact CB-CD1 3.88Å; I236-L239 HydrophobicContact CG2-CD1 3.5Å; I236-L239 VanDerWaalsContact CG2-CD1 3.5Å; I236-L239 VanDerWaalsContact O-CD1 3.31Å; I236-L239 WeakPolarHBondContact O-CD1 3.44Å; L239-V243 HydrophobicContact CB-CB 4.37Å; L239-V243 HydrophobicContact CG-CB 4.45Å; L239-V243 HydrophobicContact CG-CG1 4.34Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; L239-L248 HydrophobicContact CD2-CD1 3.89Å; L239-I263 HydrophobicContact CD2-CG2 4Å; L239-Q268 PolarHBondContact N-O 3.3Å; L239-Q268 VanDerWaalsContact N-O 3.14Å; L239-A270 HydrophobicContact CD1-CB 4.01Å; L239-A270 HydrophobicContact CD2-CB 3.64Å; L239-A270 HydrophobicContact CG-CB 4.48Å
240G83.9Confident88.9Confident14 Ų1443.9 Ų43.914%0.14428%0.278CS..  trans57.4-172-163.800000112.6G238 T242G238-G240 PolarHBondContact O-N 3.26Å; G240-T242 PolarHBondContact O-N 3.33Å
241D84Confident89.1Confident128 Ų12841.9 Ų41.968%0.68426%0.257SS*.THydrogen-bonded Turntrans-88.9-4.8-168.4-48.5-27.3000113.8Q268D241-Q268 PolarHBondContact OD1-NE2 3.22Å
242T84.8Confident89.4Confident71 Ų7141 Ų4144%0.43625%0.252SS..THydrogen-bonded Turntrans-95.2-12.8-17554.40000113.8G240 N294 R296G240-T242 PolarHBondContact O-N 3.33Å; T242-N294 PolarHBondContact O-ND2 3.11Å; T242-R296 PolarHBondContact OG1-NH1 3.43Å; T242-R296 VanDerWaalsContact OG1-NH1 3.15Å
243V86.5Confident89.5Confident13 Ų1348.3 Ų48.38%0.07928%0.279CS..  trans-92125.3-176.7175.90000109.1L239 D247 L248 I293L239-V243 HydrophobicContact CB-CB 4.37Å; L239-V243 HydrophobicContact CG-CB 4.45Å; L239-V243 HydrophobicContact CG-CG1 4.34Å; L239-V243 WeakPolarHBondContact O-CG2 3.48Å; V243-D247 HydrophobicContact CG1-CB 4.47Å; V243-L248 HydrophobicContact CG1-CD1 4.45Å; V243-L248 HydrophobicContact CG1-CD2 4.16Å; V243-L248 HydrophobicContact CG1-CG 4.01Å; V243-I293 HydrophobicContact CG1-CG2 4.35Å; V243-I293 HydrophobicContact CG2-CG2 4.33Å
244T89.3Confident89.5Confident76 Ų7652.6 Ų52.647%0.46630%0.297SS..  trans-97.9162.9-179.267.60000112G246 D247 L248T244-G246 PolarHBondContact O-N 3.5Å; T244-D247 PolarHBondContact N-OD2 3.02Å; T244-D247 PolarHBondContact O-N 3.24Å; T244-D247 PolarHBondContact OG1-N 3.01Å; T244-D247 PolarHBondContact OG1-OD2 2.84Å; T244-L248 PolarHBondContact O-N 3.14Å
245D89.1Confident89.4Confident71 Ų7153.5 Ų53.538%0.3830%0.301SS..Hα-helixtrans-57.3-38.3172.6-179.5-102.6000112.2D247 L248 K249 I261 I263D245-D247 VanDerWaalsContact C-N 3.31Å; D245-D247 PolarHBondContact O-N 3.07Å; D245-L248 PolarHBondContact O-N 2.91Å; D245-K249 WeakPolarHBondContact O-CB 3.44Å; D245-K249 PolarHBondContact O-N 3.42Å; D245-I261 WeakPolarHBondContact OD2-CB 3.42Å; D245-I261 WeakPolarHBondContact OD2-CG2 3.44Å; D245-I263 HydrophobicContact CB-CD1 3.8Å
246G89.5Confident89.4Confident46 Ų4651.6 Ų51.647%0.47430%0.3SS..Hα-helixtrans-60-40.1177.900000112.8T244 K249 G250T244-G246 PolarHBondContact O-N 3.5Å; G246-K249 PolarHBondContact O-N 3.4Å; G246-G250 PolarHBondContact O-N 3.2Å
247D90.4Very high89.4Confident56 Ų5658.6 Ų58.630%0.29933%0.333SS..Hα-helixtrans-66.6-42.9179.2-57.4-40.5000111.5V243 T244 D245 H251 I293 N294V243-D247 HydrophobicContact CG1-CB 4.47Å; T244-D247 PolarHBondContact N-OD2 3.02Å; T244-D247 PolarHBondContact O-N 3.24Å; T244-D247 PolarHBondContact OG1-N 3.01Å; T244-D247 PolarHBondContact OG1-OD2 2.84Å; D245-D247 VanDerWaalsContact C-N 3.31Å; D245-D247 PolarHBondContact O-N 3.07Å; D247-H251 PolarHBondContact O-N 2.98Å; D247-H251 VanDerWaalsContact O-N 3.08Å; D247-I293 HydrophobicContact CB-CG2 3.99Å; D247-N294 PolarHBondContact OD2-ND2 3.22Å
248L90.7Very high89.5Confident0 Ų060 Ų600%034%0.34CS..Hα-helixtrans-66.2-47.4176.7-67.2174.1000110.8I236 L239 V243 T244 D245 G250 H251 F252 I263 A270 I272 I293 L298I236-L248 HydrophobicContact CD1-CD2 4.1Å; L239-L248 HydrophobicContact CD2-CD1 3.89Å; V243-L248 HydrophobicContact CG1-CD1 4.45Å; V243-L248 HydrophobicContact CG1-CD2 4.16Å; V243-L248 HydrophobicContact CG1-CG 4.01Å; T244-L248 PolarHBondContact O-N 3.14Å; D245-L248 PolarHBondContact O-N 2.91Å; L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 2.88Å; L248-H251 PolarHBondContact O-N 3.32Å; L248-F252 HydrophobicContact CD2-CE2 4.16Å; L248-F252 WeakPolarHBondContact O-CB 3.2Å; L248-F252 VanDerWaalsContact O-CD2 3.27Å; L248-F252 WeakPolarHBondContact O-CD2 3.36Å; L248-F252 PolarHBondContact O-N 3.44Å; L248-I263 HydrophobicContact CD1-CD1 4.26Å; L248-I263 HydrophobicContact CD1-CG1 4.49Å; L248-A270 HydrophobicContact CD1-CB 4.02Å; L248-I272 HydrophobicContact CB-CD1 4.41Å; L248-I293 HydrophobicContact CD2-CD1 3.93Å; L248-L298 HydrophobicContact CD2-CD1 4.17Å
249K91.6Very high89.7Confident114 Ų11465.7 Ų65.750%0.49635%0.35SS..Hα-helixtrans-59.7-45.6177.8-169.8175.5-178.2178.40110.9D245 G246 H251 F252 Y253 I258 I261D245-K249 WeakPolarHBondContact O-CB 3.44Å; D245-K249 PolarHBondContact O-N 3.42Å; G246-K249 PolarHBondContact O-N 3.4Å; K249-H251 VanDerWaalsContact C-N 3.34Å; K249-H251 PolarHBondContact O-N 3.16Å; K249-F252 PolarHBondContact O-N 2.84Å; K249-Y253 WeakPolarHBondContact O-CB 3.37Å; K249-Y253 PolarHBondContact O-N 3.34Å; K249-I258 HydrophobicContact CG-CD1 4.31Å; K249-I261 HydrophobicContact CB-CD1 3.89Å; K249-I261 HydrophobicContact CG-CD1 4.27Å
250G90.2Very high89.9Confident56 Ų5668.8 Ų68.858%0.57737%0.368SS*.Hα-helixtrans-57.9-43.2177.200000112.9G246 L248G246-G250 PolarHBondContact O-N 3.2Å; L248-G250 VanDerWaalsContact C-N 3.33Å; L248-G250 PolarHBondContact O-N 2.88Å
251H89.8Confident90.3Very high62 Ų6269.9 Ų69.929%0.28737%0.371SS..Hα-helixtrans-73.8-42.3178.6-16980.6000113.3D247 L248 K249 Q254 L291 I293D247-H251 PolarHBondContact O-N 2.98Å; D247-H251 VanDerWaalsContact O-N 3.08Å; L248-H251 PolarHBondContact O-N 3.32Å; K249-H251 VanDerWaalsContact C-N 3.34Å; K249-H251 PolarHBondContact O-N 3.16Å; H251-Q254 VanDerWaalsContact O-CG 3.28Å; H251-Q254 WeakPolarHBondContact O-CG 3.35Å; H251-Q254 PolarHBondContact O-NE2 3.23Å; H251-L291 WeakPolarHBondContact CD2-CD1 3.17Å; H251-L291 VanDerWaalsContact NE2-CD1 3.3Å; H251-L291 WeakPolarHBondContact NE2-CD1 3.46Å; H251-I293 HydrophobicContact CB-CD1 4.29Å
252F91.9Very high90.7Very high0 Ų067.3 Ų67.30%036%0.36CS..Hα-helixtrans-85-17.7-172.5-77.5-77.2000114.3L234 I236 L248 K249 Q254 F255 I258 I272 F274 A283 L291L234-F252 HydrophobicContact CD1-CE1 4.39Å; I236-F252 HydrophobicContact CD1-CD2 4.27Å; I236-F252 HydrophobicContact CD1-CE2 3.37Å; I236-F252 HydrophobicContact CD1-CZ 3.57Å; I236-F252 HydrophobicContact CG1-CZ 4.41Å; L248-F252 HydrophobicContact CD2-CE2 4.16Å; L248-F252 WeakPolarHBondContact O-CB 3.2Å; L248-F252 VanDerWaalsContact O-CD2 3.27Å; L248-F252 WeakPolarHBondContact O-CD2 3.36Å; L248-F252 PolarHBondContact O-N 3.44Å; K249-F252 PolarHBondContact O-N 2.84Å; F252-Q254 PolarHBondContact O-N 2.78Å; F252-F255 AromaticContact CD1-CD2 3.85Å; F252-F255 HydrophobicContact CD1-CD2 3.85Å; F252-F255 AromaticContact CD1-CE2 3.93Å; F252-F255 HydrophobicContact CD1-CE2 3.93Å; F252-F255 HydrophobicContact CE1-CE2 4.38Å; F252-F255 PolarHBondContact O-N 3.38Å; F252-I258 HydrophobicContact CB-CD1 3.9Å; F252-I272 HydrophobicContact CB-CD1 4.38Å; F252-I272 HydrophobicContact CD2-CD1 3.39Å; F252-I272 HydrophobicContact CE2-CD1 3.71Å; F252-I272 HydrophobicContact CG-CD1 3.85Å; F252-I272 HydrophobicContact CZ-CD1 4.36Å; F252-F274 HydrophobicContact CB-CZ 4.11Å; F252-F274 AromaticContact CD1-CZ 3.88Å; F252-F274 HydrophobicContact CD1-CZ 3.88Å; F252-F274 HydrophobicContact CG-CZ 4.35Å; F252-A283 HydrophobicContact CD1-CB 4.14Å; F252-A283 HydrophobicContact CE1-CB 4.33Å; F252-L291 HydrophobicContact CE2-CD2 3.87Å; F252-L291 HydrophobicContact CZ-CD2 3.65Å
253Y92.1Very high91Very high166 Ų16666.6 Ų66.665%0.65135%0.353SS*.G310 helixtrans-59.8-28.9177.2-176.5-99.2000113.2K249 F255 G256K249-Y253 WeakPolarHBondContact O-CB 3.37Å; K249-Y253 PolarHBondContact O-N 3.34Å; Y253-F255 PolarHBondContact O-N 2.73Å; Y253-G256 PolarHBondContact O-N 2.91Å
254Q92.5Very high91.2Very high126 Ų12668.1 Ų68.159%0.58936%0.362SS*.G310 helixtrans-65.9-17.2179.476.3-170.2-1.200114.3H251 F252H251-Q254 VanDerWaalsContact O-CG 3.28Å; H251-Q254 WeakPolarHBondContact O-CG 3.35Å; H251-Q254 PolarHBondContact O-NE2 3.23Å; F252-Q254 PolarHBondContact O-N 2.78Å
255F90.9Very high91.1Very high18 Ų1871.8 Ų71.88%0.07937%0.374CS..G310 helixtrans-96.1-22.3-178.3-52.6-63.4000112.7F252 Y253 A279 A283 K286F252-F255 AromaticContact CD1-CD2 3.85Å; F252-F255 HydrophobicContact CD1-CD2 3.85Å; F252-F255 AromaticContact CD1-CE2 3.93Å; F252-F255 HydrophobicContact CD1-CE2 3.93Å; F252-F255 HydrophobicContact CE1-CE2 4.38Å; F252-F255 PolarHBondContact O-N 3.38Å; Y253-F255 PolarHBondContact O-N 2.73Å; F255-A279 WeakPolarHBondContact O-CB 3.35Å; F255-A283 HydrophobicContact CB-CB 3.86Å; F255-A283 HydrophobicContact CD2-CB 3.64Å; F255-A283 HydrophobicContact CE2-CB 4.3Å; F255-A283 HydrophobicContact CG-CB 3.79Å; F255-K286 HydrophobicContact CD1-CD 4.06Å; F255-K286 HydrophobicContact CE1-CB 3.67Å; F255-K286 HydrophobicContact CE1-CD 3.47Å; F255-K286 VanDerWaalsContact CE1-CD 3.47Å; F255-K286 HydrophobicContact CE1-CG 4.18Å; F255-K286 HydrophobicContact CZ-CB 3.93Å; F255-K286 HydrophobicContact CZ-CD 4.48Å
256G90.8Very high91Very high23 Ų2380.2 Ų80.224%0.23740%0.4CS..SBendtrans158.4-178.1177.800000113.5Y253Y253-G256 PolarHBondContact O-N 2.91Å
257E92.9Very high90.9Very high148 Ų14884.1 Ų84.169%0.69241%0.406SS*.  trans-70.5129.1-179.9-171.5179-173.100111.8A275E257-A275 HydrophobicContact CB-CB 4.07Å; E257-A275 HydrophobicContact CG-CB 4.39Å; E257-A275 WeakPolarHBondContact O-CB 3.25Å; E257-A275 PolarHBondContact O-N 2.64Å
258I93.9Very high90.9Very high30 Ų3085.5 Ų85.515%0.15441%0.411CS..EExtended strand (participates in β ladder)trans-97.9125.1-178.5-54.7169.8000108.4K249 F252 I261 I272 F274K249-I258 HydrophobicContact CG-CD1 4.31Å; F252-I258 HydrophobicContact CB-CD1 3.9Å; I258-I261 HydrophobicContact CD1-CD1 4.34Å; I258-I261 HydrophobicContact CG2-CD1 4.14Å; I258-I261 HydrophobicContact CG2-CG1 3.66Å; I258-I272 HydrophobicContact CG2-CG2 3.76Å; I258-F274 HydrophobicContact CG1-CD1 4.34Å; I258-F274 HydrophobicContact CG1-CE1 3.97Å
259R92.3Very high90.9Very high159 Ų15985.5 Ų85.560%0.641%0.411SS*.EExtended strand (participates in β ladder)trans-76.4-54.4176.1-72.5-174.5175.2-177.77.8111.7Q273 A275R259-Q273 HydrophobicContact CB-CB 4.4Å; R259-Q273 HydrophobicContact CB-CG 4.35Å; R259-Q273 PolarHBondContact N-O 3.38Å; R259-A275 HydrophobicContact CG-CB 4.11Å; R259-A275 PolarHBondContact NH2-O 2.85Å
260T91.1Very high90.9Very high67 Ų6780.1 Ų80.141%0.41139%0.387SS..EExtended strand (participates in β ladder)trans-149.1143.5-175.459.60000110.6Q273T260-Q273 PolarHBondContact N-O 2.91Å; T260-Q273 PolarHBondContact O-N 2.86Å; T260-Q273 WeakPolarHBondContact OG1-CB 3.38Å; T260-Q273 PolarHBondContact OG1-OE1 2.81Å
261I92.3Very high91.1Very high37 Ų3780.2 Ų80.219%0.1937%0.372CS..EExtended strand (participates in β ladder)trans-119126.1169.9-55.7173.4000107.1D245 K249 I258 I263 F271 I272D245-I261 WeakPolarHBondContact OD2-CB 3.42Å; D245-I261 WeakPolarHBondContact OD2-CG2 3.44Å; K249-I261 HydrophobicContact CB-CD1 3.89Å; K249-I261 HydrophobicContact CG-CD1 4.27Å; I258-I261 HydrophobicContact CD1-CD1 4.34Å; I258-I261 HydrophobicContact CG2-CD1 4.14Å; I258-I261 HydrophobicContact CG2-CG1 3.66Å; I261-I263 HydrophobicContact CG2-CG1 4.18Å; I261-F271 WeakPolarHBondContact CA-O 3.23Å; I261-I272 HydrophobicContact CG1-CG1 4.46Å; I261-I272 HydrophobicContact CG1-CG2 4.43Å; I261-I272 HydrophobicContact CG2-CG1 4.3Å
262T91.8Very high91.2Very high75 Ų7577.2 Ų77.246%0.4636%0.358SS..EExtended strand (participates in β ladder)trans-123.8111178.5-53.50000109A270 F271T262-A270 CarbonylContact O-C 3.55Å; T262-A270 VanDerWaalsContact O-CA 3.3Å; T262-A270 WeakPolarHBondContact O-CA 3.35Å; T262-F271 PolarHBondContact N-O 3.44Å; T262-F271 PolarHBondContact O-N 3.25Å
263I90.9Very high91.3Very high56 Ų5680.2 Ų80.229%0.28737%0.372SS..EExtended strand (participates in β ladder)trans-97.9126.6179.1-56.5177.2000109.1L239 D245 L248 I261 Q265 A270L239-I263 HydrophobicContact CD2-CG2 4Å; D245-I263 HydrophobicContact CB-CD1 3.8Å; L248-I263 HydrophobicContact CD1-CD1 4.26Å; L248-I263 HydrophobicContact CD1-CG1 4.49Å; I261-I263 HydrophobicContact CG2-CG1 4.18Å; I263-Q265 HydrophobicContact CG2-CG 4.21Å; I263-A270 HydrophobicContact CG1-CB 4.14Å
264V90.9Very high91.3Very high45 Ų4572.3 Ų72.327%0.27334%0.341SS..EExtended strand (participates in β ladder)trans-112.489.7176.2-175.20000108.1R266 Q267 Q268 C269 F271V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 3.29Å; V264-Q267 HydrophobicContact CG1-CB 4.16Å; V264-Q267 HydrophobicContact CG1-CG 4.29Å; V264-Q267 PolarHBondContact O-N 3.03Å; V264-Q267 VanDerWaalsContact O-N 3.16Å; V264-Q268 PolarHBondContact O-N 3.32Å; V264-Q268 VanDerWaalsContact O-N 3.09Å; V264-C269 PolarHBondContact N-O 2.77Å; V264-C269 PolarHBondContact O-N 3.12Å; V264-F271 HydrophobicContact CG2-CD2 4.44Å; V264-F271 HydrophobicContact CG2-CE2 4.3Å
265Q87.4Confident91.3Very high152 Ų15267.6 Ų67.671%0.7132%0.324SS*.G310 helixtrans-59.2-37.6-176.4-69-179.9-16.900112.7I263 Q267 Q268I263-Q265 HydrophobicContact CG2-CG 4.21Å; Q265-Q267 PolarHBondContact O-N 2.99Å; Q265-Q267 VanDerWaalsContact O-N 3.15Å; Q265-Q268 WeakPolarHBondContact O-CG 3.48Å; Q265-Q268 PolarHBondContact O-N 3.42Å
266R88.1Confident91.4Very high248 Ų24870.2 Ų70.294%0.93634%0.341SS*.G310 helixtrans-57-31.8178.3-70.8-171.7-179.1-177.30.7113.8V264V264-R266 VanDerWaalsContact C-N 3.29Å; V264-R266 PolarHBondContact O-N 3.29Å
267Q87.3Confident91.3Very high129 Ų12972.1 Ų72.160%0.60334%0.341SS*.G310 helixtrans-106.85.2179.6-67.71792600112V264 Q265 C269V264-Q267 HydrophobicContact CG1-CB 4.16Å; V264-Q267 HydrophobicContact CG1-CG 4.29Å; V264-Q267 PolarHBondContact O-N 3.03Å; V264-Q267 VanDerWaalsContact O-N 3.16Å; Q265-Q267 PolarHBondContact O-N 2.99Å; Q265-Q267 VanDerWaalsContact O-N 3.15Å; Q267-C269 HydrophobicContact CB-CB 4.47Å; Q267-C269 VanDerWaalsContact CB-SG 3.53Å; Q267-C269 PolarHBondContact O-N 2.92Å; Q267-C269 VanDerWaalsContact O-N 3.12Å
268Q89.4Confident91.2Very high85 Ų8572 Ų7240%0.39734%0.341SS..THydrogen-bonded Turntrans46.741.4-175.5-61.8-175.1-35.800112.6G238 L239 D241 V264 Q265G238-Q268 PolarHBondContact N-O 2.91Å; G238-Q268 VanDerWaalsContact N-O 3.1Å; L239-Q268 PolarHBondContact N-O 3.3Å; L239-Q268 VanDerWaalsContact N-O 3.14Å; D241-Q268 PolarHBondContact OD1-NE2 3.22Å; V264-Q268 PolarHBondContact O-N 3.32Å; V264-Q268 VanDerWaalsContact O-N 3.09Å; Q265-Q268 WeakPolarHBondContact O-CG 3.48Å; Q265-Q268 PolarHBondContact O-N 3.42Å
269C90.9Very high91.1Very high0 Ų070.7 Ų70.70%033%0.334CS..EExtended strand (participates in β ladder)trans-129.5156-176.770.90000112.1Y235 I236 V264 Q267Y235-C269 HydrophobicContact CD2-CB 4.29Å; Y235-C269 HydrophobicContact CE2-CB 3.43Å; Y235-C269 VanDerWaalsContact CE2-CB 3.43Å; I236-C269 CarbonylContact O-C 3.48Å; I236-C269 WeakPolarHBondContact O-CA 3.31Å; I236-C269 WeakPolarHBondContact O-CB 3.47Å; V264-C269 PolarHBondContact N-O 2.77Å; V264-C269 PolarHBondContact O-N 3.12Å; Q267-C269 HydrophobicContact CB-CB 4.47Å; Q267-C269 VanDerWaalsContact CB-SG 3.53Å; Q267-C269 PolarHBondContact O-N 2.92Å; Q267-C269 VanDerWaalsContact O-N 3.12Å
270A92Very high91Very high0 Ų063.1 Ų63.10%031%0.306CS..EExtended strand (participates in β ladder)trans-133.4148.3173.400000111.5I236 L239 L248 T262 I263I236-A270 HydrophobicContact CB-CB 4.43Å; I236-A270 PolarHBondContact N-O 3.28Å; I236-A270 PolarHBondContact O-N 3.49Å; L239-A270 HydrophobicContact CD1-CB 4.01Å; L239-A270 HydrophobicContact CD2-CB 3.64Å; L239-A270 HydrophobicContact CG-CB 4.48Å; L248-A270 HydrophobicContact CD1-CB 4.02Å; T262-A270 CarbonylContact O-C 3.55Å; T262-A270 VanDerWaalsContact O-CA 3.3Å; T262-A270 WeakPolarHBondContact O-CA 3.35Å; I263-A270 HydrophobicContact CG1-CB 4.14Å
271F93.6Very high91Very high58 Ų5862.2 Ų62.225%0.25430%0.297SS..EExtended strand (participates in β ladder)trans-114.4121.3173.6-62.7-85.7000108.6T233 L234 Y235 I261 T262 V264T233-F271 HydrophobicContact CG2-CB 4.12Å; T233-F271 HydrophobicContact CG2-CD1 4.22Å; L234-F271 WeakPolarHBondContact O-CA 3.32Å; Y235-F271 HydrophobicContact CD2-CD1 4.38Å; Y235-F271 AromaticContact CD2-CE1 3.7Å; Y235-F271 HydrophobicContact CD2-CE1 3.7Å; Y235-F271 AromaticContact CD2-CZ 3.84Å; Y235-F271 HydrophobicContact CD2-CZ 3.84Å; Y235-F271 HydrophobicContact CE2-CZ 4.34Å; I261-F271 WeakPolarHBondContact CA-O 3.23Å; T262-F271 PolarHBondContact N-O 3.44Å; T262-F271 PolarHBondContact O-N 3.25Å; V264-F271 HydrophobicContact CG2-CD2 4.44Å; V264-F271 HydrophobicContact CG2-CE2 4.3Å
272I92.9Very high90.8Very high0 Ų064.7 Ų64.70%031%0.308CS..EExtended strand (participates in β ladder)trans-113.1120.6177.1-56.6-170.6000108.2T233 L234 I236 L248 F252 I258 I261 F274T233-I272 CarbonylContact C-O 3.5Å; T233-I272 VanDerWaalsContact CA-O 3.27Å; T233-I272 WeakPolarHBondContact CA-O 3.25Å; L234-I272 PolarHBondContact N-O 2.89Å; L234-I272 PolarHBondContact O-N 2.95Å; I236-I272 HydrophobicContact CD1-CD1 3.34Å; I236-I272 HydrophobicContact CD1-CG1 3.82Å; L248-I272 HydrophobicContact CB-CD1 4.41Å; F252-I272 HydrophobicContact CB-CD1 4.38Å; F252-I272 HydrophobicContact CD2-CD1 3.39Å; F252-I272 HydrophobicContact CE2-CD1 3.71Å; F252-I272 HydrophobicContact CG-CD1 3.85Å; F252-I272 HydrophobicContact CZ-CD1 4.36Å; I258-I272 HydrophobicContact CG2-CG2 3.76Å; I261-I272 HydrophobicContact CG1-CG1 4.46Å; I261-I272 HydrophobicContact CG1-CG2 4.43Å; I261-I272 HydrophobicContact CG2-CG1 4.3Å; I272-F274 HydrophobicContact CG2-CD2 4.33Å; I272-F274 HydrophobicContact CG2-CE2 3.82Å; I272-F274 HydrophobicContact CG2-CZ 4.06Å
273Q92.4Very high90.8Very high63 Ų6361.1 Ų61.129%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-101.4123.1175-170.7176.810.300110.2R259 T260R259-Q273 HydrophobicContact CB-CB 4.4Å; R259-Q273 HydrophobicContact CB-CG 4.35Å; R259-Q273 PolarHBondContact N-O 3.38Å; T260-Q273 PolarHBondContact N-O 2.91Å; T260-Q273 PolarHBondContact O-N 2.86Å; T260-Q273 WeakPolarHBondContact OG1-CB 3.38Å; T260-Q273 PolarHBondContact OG1-OE1 2.81Å
274F94Very high90.8Very high0 Ų058.5 Ų58.50%027%0.273CS..EExtended strand (participates in β ladder)trans-89.6155.3174.8-73.4-85.1000112.5S232 L234 F252 I258 I272 A279 A280 A283S232-F274 WeakPolarHBondContact CB-O 3.42Å; S232-F274 PolarHBondContact O-N 3.38Å; S232-F274 PolarHBondContact OG-O 3.31Å; L234-F274 HydrophobicContact CD1-CD2 4.45Å; L234-F274 HydrophobicContact CD1-CE2 3.73Å; L234-F274 HydrophobicContact CG-CD2 4.44Å; L234-F274 HydrophobicContact CG-CE2 4.11Å; F252-F274 HydrophobicContact CB-CZ 4.11Å; F252-F274 AromaticContact CD1-CZ 3.88Å; F252-F274 HydrophobicContact CD1-CZ 3.88Å; F252-F274 HydrophobicContact CG-CZ 4.35Å; I258-F274 HydrophobicContact CG1-CD1 4.34Å; I258-F274 HydrophobicContact CG1-CE1 3.97Å; I272-F274 HydrophobicContact CG2-CD2 4.33Å; I272-F274 HydrophobicContact CG2-CE2 3.82Å; I272-F274 HydrophobicContact CG2-CZ 4.06Å; F274-A279 HydrophobicContact CB-CB 4.4Å; F274-A279 HydrophobicContact CD1-CB 3.93Å; F274-A279 HydrophobicContact CG-CB 4.33Å; F274-A280 HydrophobicContact CB-CB 4.13Å; F274-A280 HydrophobicContact CD2-CB 3.83Å; F274-A280 HydrophobicContact CG-CB 4.22Å; F274-A283 HydrophobicContact CE2-CB 3.96Å; F274-A283 HydrophobicContact CZ-CB 3.75Å
275A92.6Very high90.6Very high27 Ų2762.9 Ų62.922%0.22329%0.291CS..SBendtrans-69.9-35.2174.100000112.9E257 R259E257-A275 HydrophobicContact CB-CB 4.07Å; E257-A275 HydrophobicContact CG-CB 4.39Å; E257-A275 WeakPolarHBondContact O-CB 3.25Å; E257-A275 PolarHBondContact O-N 2.64Å; R259-A275 HydrophobicContact CG-CB 4.11Å; R259-A275 PolarHBondContact NH2-O 2.85Å
276T91.8Very high90.5Very high72 Ų7261.8 Ų61.844%0.44228%0.284SS..SBendtrans-121.2146.8-178.966.70000111.2Q278 A279 A280T276-Q278 VanDerWaalsContact C-N 3.35Å; T276-A279 PolarHBondContact O-N 2.91Å; T276-A279 WeakPolarHBondContact OG1-CB 3.42Å; T276-A279 PolarHBondContact OG1-N 3.36Å; T276-A280 PolarHBondContact O-N 3.34Å
277R88.8Confident90.4Very high64 Ų6450 Ų5024%0.24224%0.239CC..Hα-helixtrans-63.7-41.1174.3177.3178.4168.2145.615.6111.6P226 A279 A280 E281P226-R277 PolarHBondContact O-NH2 3.3Å; R277-A279 VanDerWaalsContact C-N 3.3Å; R277-A279 PolarHBondContact O-N 2.7Å; R277-A280 WeakPolarHBondContact O-CB 3.21Å; R277-A280 PolarHBondContact O-N 3.05Å; R277-E281 HydrophobicContact CG-CG 4.28Å; R277-E281 IonicContact CZ-OE1 3.15Å; R277-E281 IonicContact NE-OE1 2.71Å; R277-E281 PolarHBondContact NE-OE1 2.76Å; R277-E281 IonicContact NE-OE2 3.97Å; R277-E281 IonicContact NH2-OE1 2.78Å; R277-E281 PolarHBondContact NH2-OE1 2.97Å; R277-E281 PolarHBondContact O-N 2.86Å
278Q91Very high90.4Very high146 Ų14645.4 Ų45.468%0.68222%0.217SC*.Hα-helixtrans-59-41179.5-66176.3-0.800111.9T276 E281 M282T276-Q278 VanDerWaalsContact C-N 3.35Å; Q278-E281 PolarHBondContact O-N 3.05Å; Q278-M282 WeakPolarHBondContact O-CB 3.4Å; Q278-M282 WeakPolarHBondContact O-CG 3.32Å; Q278-M282 PolarHBondContact O-N 3.03Å
279A92.1Very high90.1Very high2 Ų244.1 Ų44.12%0.01721%0.213CC..Hα-helixtrans-64.7-41174.800000111.9F255 F274 T276 R277 A283F255-A279 WeakPolarHBondContact O-CB 3.35Å; F274-A279 HydrophobicContact CB-CB 4.4Å; F274-A279 HydrophobicContact CD1-CB 3.93Å; F274-A279 HydrophobicContact CG-CB 4.33Å; T276-A279 PolarHBondContact O-N 2.91Å; T276-A279 WeakPolarHBondContact OG1-CB 3.42Å; T276-A279 PolarHBondContact OG1-N 3.36Å; R277-A279 VanDerWaalsContact C-N 3.3Å; R277-A279 PolarHBondContact O-N 2.7Å; A279-A283 WeakPolarHBondContact O-CB 3.5Å; A279-A283 PolarHBondContact O-N 3.29Å
280A90.4Very high89.8Confident0 Ų048.3 Ų48.30%023%0.231CC..Hα-helixtrans-63.7-41.9176.600000112.3F274 T276 R277 A283 A284 W302F274-A280 HydrophobicContact CB-CB 4.13Å; F274-A280 HydrophobicContact CD2-CB 3.83Å; F274-A280 HydrophobicContact CG-CB 4.22Å; T276-A280 PolarHBondContact O-N 3.34Å; R277-A280 WeakPolarHBondContact O-CB 3.21Å; R277-A280 PolarHBondContact O-N 3.05Å; A280-A283 PolarHBondContact O-N 3.44Å; A280-A284 VanDerWaalsContact O-CB 3.27Å; A280-A284 WeakPolarHBondContact O-CB 3.12Å; A280-A284 PolarHBondContact O-N 2.95Å; A280-W302 HydrophobicContact CB-CH2 4.11Å; A280-W302 HydrophobicContact CB-CZ3 3.9Å
281E90.8Very high89.4Confident48 Ų4848.5 Ų48.522%0.22423%0.232CC..Hα-helixtrans-65.9-48.5177.3-72176.9160.900111.4R277 Q278 A283 A284 E285 W302R277-E281 HydrophobicContact CG-CG 4.28Å; R277-E281 IonicContact CZ-OE1 3.15Å; R277-E281 IonicContact NE-OE1 2.71Å; R277-E281 PolarHBondContact NE-OE1 2.76Å; R277-E281 IonicContact NE-OE2 3.97Å; R277-E281 IonicContact NH2-OE1 2.78Å; R277-E281 PolarHBondContact NH2-OE1 2.97Å; R277-E281 PolarHBondContact O-N 2.86Å; Q278-E281 PolarHBondContact O-N 3.05Å; E281-A283 VanDerWaalsContact C-N 3.31Å; E281-A283 PolarHBondContact O-N 3.4Å; E281-A284 PolarHBondContact O-N 3.39Å; E281-E285 WeakPolarHBondContact O-CG 3.43Å; E281-E285 PolarHBondContact O-N 3.38Å; E281-W302 HydrophobicContact CB-CH2 4.32Å; E281-W302 HydrophobicContact CG-CH2 3.68Å; E281-W302 HydrophobicContact CG-CZ2 4.02Å
282M88.9Confident89.2Confident88 Ų8850.5 Ų50.543%0.43325%0.245SC..Hα-helixtrans-60.3-40.9175.3-73.4-168.4-63.800112.3Q278 K286Q278-M282 WeakPolarHBondContact O-CB 3.4Å; Q278-M282 WeakPolarHBondContact O-CG 3.32Å; Q278-M282 PolarHBondContact O-N 3.03Å; M282-K286 WeakPolarHBondContact O-CB 3.46Å; M282-K286 WeakPolarHBondContact O-CG 3.46Å; M282-K286 PolarHBondContact O-N 3.45Å
283A90.8Very high88.9Confident0 Ų051.2 Ų51.20%025%0.248CC..Hα-helixtrans-64.8-46.2176.300000110.8L234 F252 F255 F274 A279 A280 E281 K286 S287L234-A283 HydrophobicContact CD1-CB 3.85Å; F252-A283 HydrophobicContact CD1-CB 4.14Å; F252-A283 HydrophobicContact CE1-CB 4.33Å; F255-A283 HydrophobicContact CB-CB 3.86Å; F255-A283 HydrophobicContact CD2-CB 3.64Å; F255-A283 HydrophobicContact CE2-CB 4.3Å; F255-A283 HydrophobicContact CG-CB 3.79Å; F274-A283 HydrophobicContact CE2-CB 3.96Å; F274-A283 HydrophobicContact CZ-CB 3.75Å; A279-A283 WeakPolarHBondContact O-CB 3.5Å; A279-A283 PolarHBondContact O-N 3.29Å; A280-A283 PolarHBondContact O-N 3.44Å; E281-A283 VanDerWaalsContact C-N 3.31Å; E281-A283 PolarHBondContact O-N 3.4Å; A283-K286 PolarHBondContact O-N 3Å; A283-S287 WeakPolarHBondContact O-CB 3.25Å; A283-S287 PolarHBondContact O-N 3.25Å; A283-S287 PolarHBondContact O-OG 3.23Å
284A90.1Very high88.6Confident1 Ų152.8 Ų52.81%0.00826%0.259CS..Hα-helixtrans-58.5-51.2177.100000111.2L223 L234 A280 E281 K286 S287 F288 W302L223-A284 HydrophobicContact CD1-CB 4.14Å; L234-A284 HydrophobicContact CD1-CB 4.43Å; L234-A284 HydrophobicContact CD2-CB 4Å; A280-A284 VanDerWaalsContact O-CB 3.27Å; A280-A284 WeakPolarHBondContact O-CB 3.12Å; A280-A284 PolarHBondContact O-N 2.95Å; E281-A284 PolarHBondContact O-N 3.39Å; A284-K286 PolarHBondContact O-N 3.3Å; A284-S287 PolarHBondContact O-N 3.31Å; A284-S287 PolarHBondContact O-OG 3.43Å; A284-F288 VanDerWaalsContact O-CB 3.23Å; A284-F288 WeakPolarHBondContact O-CB 3.35Å; A284-F288 PolarHBondContact O-N 3.13Å; A284-W302 HydrophobicContact CB-CH2 4.06Å; A284-W302 HydrophobicContact CB-CZ2 3.59Å
285E87.3Confident88.2Confident138 Ų13856.2 Ų56.265%0.64529%0.294SS*.Hα-helixtrans-60-44.1-179.7-73.2179-179.800112.8E281E281-E285 WeakPolarHBondContact O-CG 3.43Å; E281-E285 PolarHBondContact O-N 3.38Å
286K86.1Confident87.9Confident128 Ų12860.2 Ų60.256%0.55730%0.304SS*.Hα-helixtrans-78.5-27.9-177.3-72.8-176.5174.7-179.50113.7F255 M282 A283 A284 K290F255-K286 HydrophobicContact CD1-CD 4.06Å; F255-K286 HydrophobicContact CE1-CB 3.67Å; F255-K286 HydrophobicContact CE1-CD 3.47Å; F255-K286 VanDerWaalsContact CE1-CD 3.47Å; F255-K286 HydrophobicContact CE1-CG 4.18Å; F255-K286 HydrophobicContact CZ-CB 3.93Å; F255-K286 HydrophobicContact CZ-CD 4.48Å; M282-K286 WeakPolarHBondContact O-CB 3.46Å; M282-K286 WeakPolarHBondContact O-CG 3.46Å; M282-K286 PolarHBondContact O-N 3.45Å; A283-K286 PolarHBondContact O-N 3Å; A284-K286 PolarHBondContact O-N 3.3Å; K286-K290 VanDerWaalsContact O-CD 3.28Å; K286-K290 WeakPolarHBondContact O-CD 3.32Å
287S86.6Confident87.8Confident1 Ų164 Ų641%0.00731%0.31CS..Hα-helixtrans-91.4-22.1-178.863.70000113.5A283 A284 N289 K290 L291A283-S287 WeakPolarHBondContact O-CB 3.25Å; A283-S287 PolarHBondContact O-N 3.25Å; A283-S287 PolarHBondContact O-OG 3.23Å; A284-S287 PolarHBondContact O-N 3.31Å; A284-S287 PolarHBondContact O-OG 3.43Å; S287-N289 PolarHBondContact O-N 3.19Å; S287-K290 PolarHBondContact O-N 3.34Å; S287-L291 WeakPolarHBondContact O-CB 3.01Å; S287-L291 PolarHBondContact O-N 3.5Å
288F86.9Confident87.9Confident32 Ų3261 Ų6114%0.1430%0.298CS..THydrogen-bonded Turntrans-61122.9-176.5-167.8-120.3000113.4P221 L223 A284 K290 V300P221-F288 HydrophobicContact CB-CE1 4.06Å; P221-F288 HydrophobicContact CB-CZ 4.23Å; P221-F288 VanDerWaalsContact O-CE1 3.32Å; P221-F288 WeakPolarHBondContact O-CE1 3.22Å; L223-F288 HydrophobicContact CB-CD2 4.46Å; L223-F288 HydrophobicContact CB-CG 4.42Å; L223-F288 HydrophobicContact CD1-CB 3.85Å; L223-F288 HydrophobicContact CD1-CD2 3.19Å; L223-F288 HydrophobicContact CD1-CE2 3.82Å; L223-F288 HydrophobicContact CD1-CG 3.65Å; L223-F288 HydrophobicContact CD2-CE2 4.36Å; L223-F288 HydrophobicContact CG-CB 4.49Å; L223-F288 HydrophobicContact CG-CD1 4.4Å; L223-F288 HydrophobicContact CG-CD2 3.47Å; L223-F288 VanDerWaalsContact CG-CD2 3.47Å; L223-F288 HydrophobicContact CG-CE2 3.62Å; L223-F288 HydrophobicContact CG-CG 3.88Å; L223-F288 HydrophobicContact CG-CZ 4.15Å; A284-F288 VanDerWaalsContact O-CB 3.23Å; A284-F288 WeakPolarHBondContact O-CB 3.35Å; A284-F288 PolarHBondContact O-N 3.13Å; F288-K290 PolarHBondContact O-N 3.34Å; F288-V300 WeakPolarHBondContact CD2-O 3.32Å; F288-V300 WeakPolarHBondContact CE2-O 3.4Å
289N83.3Confident87.9Confident58 Ų5857.1 Ų57.131%0.3129%0.285SS..THydrogen-bonded Turntrans57.314-178.7-69.8-36.1000115.5S287 R297S287-N289 PolarHBondContact O-N 3.19Å; N289-R297 PolarHBondContact O-NH1 2.89Å
290K82.9Confident87.9Confident88 Ų8857.1 Ų57.138%0.38329%0.285SS..THydrogen-bonded Turntrans-122.5-29-178.9-73.5178.5169.7-170.70113.9D145 K286 S287 F288 I292D145-K290 WeakPolarHBondContact OD1-CE 3.26Å; D145-K290 IonicContact OD1-NZ 2.74Å; D145-K290 PolarHBondContact OD1-NZ 3.37Å; D145-K290 WeakPolarHBondContact OD2-CE 3.22Å; D145-K290 IonicContact OD2-NZ 3.08Å; D145-K290 PolarHBondContact OD2-NZ 2.84Å; K286-K290 VanDerWaalsContact O-CD 3.28Å; K286-K290 WeakPolarHBondContact O-CD 3.32Å; S287-K290 PolarHBondContact O-N 3.34Å; F288-K290 PolarHBondContact O-N 3.34Å; K290-I292 PolarHBondContact O-N 2.92Å; K290-I292 VanDerWaalsContact O-N 3.09Å
291L85.1Confident87.9Confident4 Ų463.1 Ų63.12%0.02131%0.311CS..  trans-64.9113.4-172-173.658.5000110.6H251 F252 S287 I293 R297 L298 V300H251-L291 WeakPolarHBondContact CD2-CD1 3.17Å; H251-L291 VanDerWaalsContact NE2-CD1 3.3Å; H251-L291 WeakPolarHBondContact NE2-CD1 3.46Å; F252-L291 HydrophobicContact CE2-CD2 3.87Å; F252-L291 HydrophobicContact CZ-CD2 3.65Å; S287-L291 WeakPolarHBondContact O-CB 3.01Å; S287-L291 PolarHBondContact O-N 3.5Å; L291-I293 HydrophobicContact CD1-CD1 3.94Å; L291-I293 HydrophobicContact CD1-CG1 3.82Å; L291-I293 HydrophobicContact CD2-CD1 4.44Å; L291-I293 HydrophobicContact CG-CD1 4.3Å; L291-I293 HydrophobicContact CG-CG1 4.19Å; L291-R297 WeakPolarHBondContact O-CA 3.3Å; L291-L298 HydrophobicContact CB-CB 4.32Å; L291-L298 HydrophobicContact CD2-CB 3.9Å; L291-L298 HydrophobicContact CD2-CD1 3.82Å; L291-L298 HydrophobicContact CD2-CG 4.38Å; L291-L298 HydrophobicContact CG-CB 4.02Å; L291-L298 HydrophobicContact CG-CD1 4.06Å; L291-L298 HydrophobicContact CG-CG 4.34Å; L291-L298 PolarHBondContact O-N 3Å; L291-V300 HydrophobicContact CD2-CG2 4.14Å
292I88.5Confident87.9Confident100 Ų10062.6 Ų62.651%0.51331%0.307SS..EExtended strand (participates in β ladder)trans-124.8114.1173-59.9171.3000107K290 R296 R297K290-I292 PolarHBondContact O-N 2.92Å; K290-I292 VanDerWaalsContact O-N 3.09Å; I292-R296 CarbonylContact C-O 3.57Å; I292-R296 VanDerWaalsContact CA-O 3.25Å; I292-R296 WeakPolarHBondContact CA-O 3.27Å; I292-R297 HydrophobicContact CG1-CB 4.46Å
293I87.5Confident87.7Confident15 Ų1558.6 Ų58.68%0.07729%0.288CS..EExtended strand (participates in β ladder)trans-120.5133.3176.8-60.6-176.6000107.5V243 D247 L248 H251 L291 G295 R296 L298V243-I293 HydrophobicContact CG1-CG2 4.35Å; V243-I293 HydrophobicContact CG2-CG2 4.33Å; D247-I293 HydrophobicContact CB-CG2 3.99Å; L248-I293 HydrophobicContact CD2-CD1 3.93Å; H251-I293 HydrophobicContact CB-CD1 4.29Å; L291-I293 HydrophobicContact CD1-CD1 3.94Å; L291-I293 HydrophobicContact CD1-CG1 3.82Å; L291-I293 HydrophobicContact CD2-CD1 4.44Å; L291-I293 HydrophobicContact CG-CD1 4.3Å; L291-I293 HydrophobicContact CG-CG1 4.19Å; I293-G295 PolarHBondContact O-N 3.34Å; I293-G295 VanDerWaalsContact O-N 3.13Å; I293-R296 PolarHBondContact N-O 3.02Å; I293-R296 PolarHBondContact O-N 3Å; I293-L298 HydrophobicContact CB-CD1 4.13Å; I293-L298 HydrophobicContact CD1-CD1 3.77Å; I293-L298 HydrophobicContact CG1-CD1 4.02Å
294N85.6Confident87.2Confident97 Ų9769.6 Ų69.652%0.51933%0.33SS..THydrogen-bonded Turntrans51.437.1-178.6-61-17.6000113.1T242 D247 R296T242-N294 PolarHBondContact O-ND2 3.11Å; D247-N294 PolarHBondContact OD2-ND2 3.22Å; N294-R296 PolarHBondContact O-N 2.98Å
295G84.8Confident86Confident72 Ų7271.8 Ų71.874%0.74235%0.345SS*.THydrogen-bonded Turntrans75.12.7-179.400000115.4I293I293-G295 PolarHBondContact O-N 3.34Å; I293-G295 VanDerWaalsContact O-N 3.13Å
296R86.9Confident84.7Confident110 Ų11072.4 Ų72.442%0.41535%0.348SS..EExtended strand (participates in β ladder)trans-107.6135.6178.4-68.9-175.9-177.2167.41.1111.6T242 I292 I293 N294T242-R296 PolarHBondContact OG1-NH1 3.43Å; T242-R296 VanDerWaalsContact OG1-NH1 3.15Å; I292-R296 CarbonylContact C-O 3.57Å; I292-R296 VanDerWaalsContact CA-O 3.25Å; I292-R296 WeakPolarHBondContact CA-O 3.27Å; I293-R296 PolarHBondContact N-O 3.02Å; I293-R296 PolarHBondContact O-N 3Å; N294-R296 PolarHBondContact O-N 2.98Å
297R89.6Confident83.1Confident151 Ų15170.5 Ų70.557%0.5736%0.356SS*.EExtended strand (participates in β ladder)trans-78.1121174.8179.3-179.1-71.1-111.6-6109.6N289 L291 I292N289-R297 PolarHBondContact O-NH1 2.89Å; L291-R297 WeakPolarHBondContact O-CA 3.3Å; I292-R297 HydrophobicContact CG1-CB 4.46Å
298L91.5Very high81.6Confident1 Ų172.7 Ų72.71%0.00537%0.374CS..PPolyproline II helixtrans-94.1142.3175.4-56.9-175.9000110.1I236 G238 L248 L291 I293I236-L298 HydrophobicContact CG2-CB 3.91Å; I236-L298 HydrophobicContact CG2-CD1 3.99Å; I236-L298 HydrophobicContact CG2-CG 4.43Å; G238-L298 WeakPolarHBondContact O-CD2 3.15Å; L248-L298 HydrophobicContact CD2-CD1 4.17Å; L291-L298 HydrophobicContact CB-CB 4.32Å; L291-L298 HydrophobicContact CD2-CB 3.9Å; L291-L298 HydrophobicContact CD2-CD1 3.82Å; L291-L298 HydrophobicContact CD2-CG 4.38Å; L291-L298 HydrophobicContact CG-CB 4.02Å; L291-L298 HydrophobicContact CG-CD1 4.06Å; L291-L298 HydrophobicContact CG-CG 4.34Å; L291-L298 PolarHBondContact O-N 3Å; I293-L298 HydrophobicContact CB-CD1 4.13Å; I293-L298 HydrophobicContact CD1-CD1 3.77Å; I293-L298 HydrophobicContact CG1-CD1 4.02Å
299T90.2Very high79.9Confident65 Ų6581 Ų8140%0.39940%0.404SS..EExtended strand (participates in β ladder)trans-97129.7175.559.80000109.1I236 G237I236-T299 CarbonylContact C-O 3.56Å; I236-T299 VanDerWaalsContact CA-O 3.27Å; I236-T299 WeakPolarHBondContact CA-O 3.39Å; G237-T299 WeakPolarHBondContact CA-OG1 3.4Å; G237-T299 PolarHBondContact N-O 2.83Å; G237-T299 PolarHBondContact O-N 2.69Å; G237-T299 PolarHBondContact O-OG1 3.42Å
300V91.7Very high77.9Confident2 Ų281.7 Ų81.71%0.01243%0.425CS..EExtended strand (participates in β ladder)trans-112.2133.2179.1-176.60000108.7L223 L234 Y235 F288 L291L223-V300 HydrophobicContact CD1-CG1 4.28Å; L234-V300 HydrophobicContact CD1-CG1 4.36Å; Y235-V300 CarbonylContact O-C 3.58Å; Y235-V300 WeakPolarHBondContact O-CA 3.37Å; F288-V300 WeakPolarHBondContact CD2-O 3.32Å; F288-V300 WeakPolarHBondContact CE2-O 3.4Å; L291-V300 HydrophobicContact CD2-CG2 4.14Å
301K91.2Very high76.1Confident126 Ų12686.5 Ų86.555%0.54845%0.446SS..EExtended strand (participates in β ladder)trans-137.6160.8174.2-60.1-178.6177.8176.60109.5Y235Y235-K301 HydrophobicContact CD1-CB 3.93Å; Y235-K301 HydrophobicContact CD1-CD 4.26Å; Y235-K301 HydrophobicContact CD1-CG 4.23Å; Y235-K301 HydrophobicContact CE1-CD 4.46Å; Y235-K301 PolarHBondContact N-O 2.96Å; Y235-K301 PolarHBondContact O-N 3.08Å
302W91.3Very high74Confident38 Ų3893.4 Ų93.414%0.14448%0.483CS..EExtended strand (participates in β ladder)trans-68.9133.5169.1-70.1110.9000110.7L223 D224 P225 P226 L234 A280 E281 A284L223-W302 VanDerWaalsContact CD2-CD1 3.49Å; L223-W302 HydrophobicContact CD2-CG 4.34Å; D224-W302 PolarHBondContact O-NE1 3.42Å; P225-W302 HydrophobicContact CB-CZ2 4.49Å; P226-W302 VanDerWaalsContact CD-CE2 3.41Å; P226-W302 HydrophobicContact CG-CD2 3.98Å; P226-W302 HydrophobicContact CG-CE3 3.86Å; P226-W302 HydrophobicContact CG-CG 4.33Å; P226-W302 HydrophobicContact CG-CZ3 4.22Å; L234-W302 HydrophobicContact CD2-CD2 4.01Å; L234-W302 HydrophobicContact CD2-CE3 3.46Å; L234-W302 VanDerWaalsContact CD2-CE3 3.46Å; L234-W302 HydrophobicContact CD2-CH2 4.1Å; L234-W302 HydrophobicContact CD2-CZ3 3.52Å; A280-W302 HydrophobicContact CB-CH2 4.11Å; A280-W302 HydrophobicContact CB-CZ3 3.9Å; E281-W302 HydrophobicContact CB-CH2 4.32Å; E281-W302 HydrophobicContact CG-CH2 3.68Å; E281-W302 HydrophobicContact CG-CZ2 4.02Å; A284-W302 HydrophobicContact CB-CH2 4.06Å; A284-W302 HydrophobicContact CB-CZ2 3.59Å
303G84.3Confident71.8Confident4 Ų492.1 Ų92.14%0.04150%0.495CS..PPolyproline II helixtrans-69.4141.917500000110.6I231 T233I231-G303 VanDerWaalsContact CG2-O 3.25Å; I231-G303 WeakPolarHBondContact CG2-O 3.28Å; T233-G303 WeakPolarHBondContact O-CA 3.4Å; T233-G303 PolarHBondContact O-N 3.47Å
304R80.9Confident69.6Low231 Ų231100.9 Ų100.987%0.87253%0.532SS*.PPolyproline II helixtrans-89.9140.2170.9-62.8-177.6-178.7-128.70.2108.7Q306R304-Q306 PolarHBondContact O-N 2.97Å
305S64.4Low67.2Low46 Ų46105 Ų10532%0.32255%0.548SS..PPolyproline II helixtrans-61.8135.8177.162.20000110.1A307 A308S305-A307 PolarHBondContact O-N 3.46Å; S305-A308 WeakPolarHBondContact O-CB 3.12Å; S305-A308 PolarHBondContact O-N 3.46Å
306Q59.8Low64.9Low152 Ų152105.8 Ų105.871%0.7156%0.557SS**THydrogen-bonded Turntrans-59.4-27.2174.6-76.9-78.4-13.700111.6R304 A308 R309R304-Q306 PolarHBondContact O-N 2.97Å; Q306-A308 VanDerWaalsContact C-N 3.31Å; Q306-A308 PolarHBondContact O-N 3.12Å; Q306-R309 PolarHBondContact O-N 3.3Å
307A53.1Low62.6Low87 Ų87106.8 Ų106.872%0.71958%0.575SS**THydrogen-bonded Turntrans-66.4-27175.500000113.8S305S305-A307 PolarHBondContact O-N 3.46Å
308A53.5Low60.3Low47 Ų47104.7 Ų104.739%0.38858%0.584SS.*G310 helixtrans-73.7-30175.800000112.1S305 Q306 G310 K311S305-A308 WeakPolarHBondContact O-CB 3.12Å; S305-A308 PolarHBondContact O-N 3.46Å; Q306-A308 VanDerWaalsContact C-N 3.31Å; Q306-A308 PolarHBondContact O-N 3.12Å; A308-G310 PolarHBondContact O-N 3.47Å; A308-K311 PolarHBondContact O-N 3.03Å
309R51Low58.2Low207 Ų207113.9 Ų113.978%0.78163%0.627SS**G310 helixtrans-70-12.2177.7-108.5-172.1169.8-174.4-3.1114.3Q306Q306-R309 PolarHBondContact O-N 3.3Å
310G42.2Very low56.2Low73 Ų73118.9 Ų118.975%0.75365%0.648SS**G310 helixtrans-89.1-2.2176.400000114.9A308A308-G310 PolarHBondContact O-N 3.47Å
311K44.5Very low54.1Low188 Ų188122.9 Ų122.982%0.81769%0.689SS**SBendtrans-128.98.1-173.6-128.7-178.3-178.1-1760115.7A308A308-K311 PolarHBondContact O-N 3.03Å
312D42.3Very low51.8Low149 Ų149122.1 Ų122.180%0.79770%0.695SS**  trans-115.573.9171-74.1-69.7000109
313G42.2Very low49.4Very low74 Ų74128 Ų12876%0.76373%0.727SS**  trans-127.154.6179.600000111
314K40.5Very low47.3Very low199 Ų199135 Ų13587%0.86576%0.763SS**SBendtrans171.190.5156.4-101.6174.6-179.3-178.70107.9
315E34.8Very low45.6Very low182 Ų182130.7 Ų130.785%0.8576%0.758SS**  trans-176119.7142.9-102.6168.4-170.800107.7V317E315-V317 PolarHBondContact O-N 3.37Å; E315-V317 VanDerWaalsContact O-N 3.1Å
316G38Very low44.9Very low90 Ų90134.2 Ų134.293%0.92878%0.779SS**  trans-67.7106.7175.600000109.1
317V37.5Very low44.2Very low130 Ų130133.1 Ų133.179%0.78878%0.783SS**  trans-112.1108.6167.5177.40000107.4E315E315-V317 PolarHBondContact O-N 3.37Å; E315-V317 VanDerWaalsContact O-N 3.1Å
318S41.6Very low43.8Very low108 Ų108135.2 Ų135.276%0.75579%0.789SS**  trans-67.6145.5166-720000110.6M320S318-M320 PolarHBondContact O-N 3.43Å
319E46.9Very low44Very low194 Ų194136.6 Ų136.691%0.90781%0.808SS**SBendtrans-48.1126.2164.9-162.5170.9143.100110.2
320M49.4Very low44.1Very low170 Ų170134.4 Ų134.484%0.83781%0.811SS**SBendtrans96.392-179.1-146.3138.878.600114.9S318 T322S318-M320 PolarHBondContact O-N 3.43Å; M320-T322 PolarHBondContact O-N 3.25Å
321G47.3Very low44.3Very low85 Ų85136.9 Ų136.988%0.87681%0.813SS**  trans-67.697.5179.400000113.5
322T42.3Very low44.9Very low111 Ų111131.1 Ų131.168%0.68181%0.808SS**  trans-141.2113.4160-20.30000108.1M320M320-T322 PolarHBondContact O-N 3.25Å
323I41.1Very low45.7Very low160 Ų160129.1 Ų129.182%0.82181%0.812SS**  trans-77120.3170.8-72.9168000106.7
324L40.2Very low45.6Very low152 Ų152133.2 Ų133.280%0.79682%0.816SS**  trans-109.2123.9167.4-66176.4000107.9
325D45.7Very low46.1Very low141 Ų141129 Ų12975%0.75481%0.808SS**PPolyproline II helixtrans-65.7138.3173.3-68.5-57.7000110.5V327D325-V327 PolarHBondContact O-N 3.4Å
326P48.2Very low47.1Very low119 Ų119126 Ų12677%0.77381%0.805SS**PPolyproline II helixtrans-71.1129.7-179.525.5-30000111.4P328P326-P328 WeakPolarHBondContact O-CD 3.41Å
327V46.2Very low47.4Very low130 Ų130127.2 Ų127.279%0.78880%0.796SS**PPolyproline II helixtrans-68.1125.4178-179.80000110D325 G329D325-V327 PolarHBondContact O-N 3.4Å; V327-G329 PolarHBondContact O-N 2.91Å
328P45.5Very low47.8Very low130 Ų130126.9 Ų126.984%0.84480%0.797SS**THydrogen-bonded Turntrans-62.9124.7176.4-22.533.5000112.1P326P326-P328 WeakPolarHBondContact O-CD 3.41Å
329G56.8Low48.1Very low77 Ų77126.3 Ų126.379%0.79480%0.799SS**THydrogen-bonded Turntrans134.3-1.2167.600000118.1V327V327-G329 PolarHBondContact O-N 2.91Å
330L52.9Low47.6Very low160 Ų160123.9 Ų123.984%0.83879%0.791SS**SBendtrans-104.9134.8174-119.274.1000111G332L330-G332 PolarHBondContact O-N 3.26Å
331P47.4Very low46.9Very low125 Ų125123 Ų12381%0.81279%0.79SS**PPolyproline II helixtrans-63.1133.6173.525-31.3000110.5
332G56.1Low46.8Very low68 Ų68127.5 Ų127.570%0.70179%0.788SS**PPolyproline II helixtrans-62159.8-172.600000114.7L330 L334L330-G332 PolarHBondContact O-N 3.26Å; G332-L334 PolarHBondContact O-N 3.33Å
333A59Low46.7Very low106 Ų106131 Ų13188%0.87680%0.797SS**PPolyproline II helixtrans-56.4132.8179.900000112
334L40.8Very low46.5Very low161 Ų161128 Ų12884%0.84380%0.796SS**PPolyproline II helixtrans-63.8147.6178.9-71.8168000111.6G332G332-L334 PolarHBondContact O-N 3.33Å
335P50.6Low46.8Very low110 Ų110126.2 Ų126.271%0.71479%0.793SS**PPolyproline II helixtrans-65.6147.9179.827.2-34000111.8
336P56.3Low46.5Very low120 Ų120124.2 Ų124.278%0.77980%0.796SS**PPolyproline II helixtrans-70.9140.4177.429.5-32.6000110.6
337P43Very low46.5Very low115 Ų115125.9 Ų125.975%0.74780%0.799SS**PPolyproline II helixtrans-71.4153.6179.128.8-32.5000111.7
338P45.6Very low46.5Very low122 Ų122129.6 Ų129.679%0.79280%0.8SS**PPolyproline II helixtrans-69.8146.1-176.528.5-32.6000111.7L340P338-L340 PolarHBondContact O-N 3.38Å
339A48.1Very low46.3Very low97 Ų97131.4 Ų131.480%0.80280%0.795SS**PPolyproline II helixtrans-74.9119.6178.200000110.9
340L36.7Very low46Very low142 Ų142135.7 Ų135.774%0.74380%0.8SS**  trans-145.8113.3162-74.9173.4000109.4P338P338-L340 PolarHBondContact O-N 3.38Å
341D36Very low45.9Very low153 Ų153135.9 Ų135.982%0.81880%0.801SS**  60.3147.4129.2-42.1-20.1000121.8
342E44.6Very low45.4Very low179 Ų179137.1 Ų137.184%0.83680%0.8SS**SBendtrans-52149.9-172.1-120.9160.1107.100116.2
343E39.2Very low44.7Very low184 Ų184139.8 Ų139.886%0.8681%0.806SS**  trans76.991.7160.5-59.2-171.5125.400120
344A38Very low43.6Very low98 Ų98139.7 Ų139.781%0.8180%0.798SS**  trans-167.6142.7135.800000112.8
345P45.6Very low43.3Very low113 Ų113137.7 Ų137.773%0.73480%0.798SS**  trans-81.2145.6-17832.5-34000113.5N347P345-N347 PolarHBondContact O-N 2.9Å; P345-N347 VanDerWaalsContact O-N 3.14Å
346A41Very low42.5Very low99 Ų99137.8 Ų137.882%0.81880%0.801SS**  trans-67.7104-179.700000112.8Y348A346-Y348 PolarHBondContact O-N 3.16Å
347N47.6Very low42.1Very low154 Ų154137.7 Ų137.782%0.82480%0.8SS**  trans-84.383165-76.7-44000110.1P345 F349P345-N347 PolarHBondContact O-N 2.9Å; P345-N347 VanDerWaalsContact O-N 3.14Å; N347-F349 VanDerWaalsContact C-N 3.29Å; N347-F349 PolarHBondContact O-N 3.04Å
348Y46.7Very low41.6Very low209 Ų209136.5 Ų136.582%0.8280%0.8SS**THydrogen-bonded Turntrans-78.9-3.8-178.7-173.5-99.3000114.1A346A346-Y348 PolarHBondContact O-N 3.16Å
349F41.6Very low41Very low167 Ų167138.5 Ų138.573%0.73280%0.803SS**THydrogen-bonded Turntrans-127.323.1-167.5-102.7-77.1000116.6N347 L351N347-F349 VanDerWaalsContact C-N 3.29Å; N347-F349 PolarHBondContact O-N 3.04Å; F349-L351 PolarHBondContact O-N 3.45Å
350N48.7Very low40.5Very low167 Ų167141.6 Ų141.689%0.89380%0.803SS**  trans29.173.4166.7-104.5-26.8000115.6
351L51.4Low40.6Very low164 Ų164141.9 Ų141.986%0.85981%0.805SS**  trans-121.2136.3167.2-70.5171.5000109.4F349F349-L351 PolarHBondContact O-N 3.45Å
352D36.9Very low40.5Very low151 Ų151142.5 Ų142.581%0.80781%0.807SS**  trans-65.3136.1-175.4-161.8-31.5000112S354D352-S354 PolarHBondContact O-N 2.87Å
353P40.5Very low40.1Very low125 Ų125138.3 Ų138.381%0.81280%0.803SS**  trans-91102.2-177.734.4-29.1000110.9
354S36.9Very low40.1Very low103 Ų103137.5 Ų137.572%0.7280%0.802SS**  trans-133.2123.516288.80000111.5D352D352-S354 PolarHBondContact O-N 2.87Å
355S34.6Very low40.4Very low119 Ų119138 Ų13883%0.83280%0.797SS**  trans81.792.7167.771.10000118.8
356S33.8Very low40.7Very low112 Ų112138.1 Ų138.178%0.78380%0.798SS**  trans-75.2174.8142.2-41.90000109.7
357P46.8Very low41.2Very low118 Ų118139.1 Ų139.177%0.76680%0.796SS**  cis-132.1170-12.428.8-7.2000114.2
358A32.5Very low41Very low90 Ų90138.1 Ų138.174%0.74480%0.798SS**  trans58.4119.2148.100000120.1
359I33.8Very low40.5Very low165 Ų165131.8 Ų131.885%0.84680%0.796SS**  -167.7154.6115.7-93.7159.5000109.7
360M37.1Very low40.4Very low162 Ų162132 Ų13280%0.79880%0.803SS**  trans-64.5160.5-163.6-55.3172.1-132.600117.1
361N40Very low40Very low148 Ų148131.6 Ų131.679%0.79180%0.801SS**  trans55.8125.5146-88.7-2.1000119.7
362I32.6Very low39.9Very low166 Ų166129 Ų12985%0.85179%0.794SS**  176.5147.3114.4-86.6152.5000111.1
363A36.9Very low40.4Very low91 Ų91127.5 Ų127.575%0.75279%0.792SS**  trans-33.6144.1179.500000119.4
364I38.9Very low40.6Very low166 Ų166127.4 Ų127.485%0.85179%0.792SS**PPolyproline II helixtrans-99.5129.3167.5-61171.6000109.1
365P43.8Very low41Very low108 Ų108128.9 Ų128.970%0.70180%0.799SS**PPolyproline II helixtrans-84161.5173.333.2-32.9000113.2
366P51.7Low41.2Very low117 Ų117126.3 Ų126.376%0.7679%0.792SS**PPolyproline II helixtrans-89.4161.1-163.836.4-35.3000114
367P52.6Low41.4Very low119 Ų119132.5 Ų132.577%0.77380%0.799SS**PPolyproline II helixtrans-81.3153.7170.232-31.7000112.5
368P42.3Very low41.3Very low134 Ų134130 Ų13087%0.8780%0.795SS**PPolyproline II helixtrans-89.6134.5-169.211.15.9000114.2
369G36.8Very low42.1Very low75 Ų75131.5 Ų131.577%0.77380%0.797SS**  85.384.2126.900000119.2
370I39.6Very low42.5Very low172 Ų172129.8 Ų129.888%0.88280%0.797SS**  trans-114.4115.5150.7-62.4174.1000106.6
371N40.7Very low42.6Very low159 Ų159130.6 Ų130.685%0.8580%0.801SS**PPolyproline II helixtrans-96.2150.1172.1-102-3.7000111.2
372P49.4Very low42.6Very low109 Ų109133 Ų13371%0.70881%0.805SS**PPolyproline II helixtrans-93.8163.2-167.837.3-35000113.7
373P47.7Very low42.7Very low119 Ų119134 Ų13477%0.77381%0.805SS**PPolyproline II helixtrans-86.5151.916734-30.1000112.3
374P44.6Very low43Very low123 Ų123135.3 Ų135.380%0.79981%0.806SS**PPolyproline II helixtrans-85.5170.1-177.535.8-34.8000113.5
375P44.3Very low43.1Very low134 Ų134136.1 Ų136.187%0.8781%0.811SS**PPolyproline II helixtrans-99.2151.4-158.236.5-30.9000114.2
376G40.2Very low42.6Very low66 Ų66134.5 Ų134.568%0.6881%0.814SS**  trans141.3108.3157.600000113.7
377Y36.8Very low42.3Very low242 Ų242134.6 Ų134.695%0.94982%0.815SS**  trans159.4114.6130.9-94.2-81.2000108.2
378G44.8Very low41.9Very low66 Ų66137.9 Ų137.968%0.6882%0.822SS**  trans-71.6177.9-174.500000114.5
379P49.4Very low41.9Very low121 Ų121136.2 Ų136.279%0.78682%0.82SS**PPolyproline II helixtrans-85146.6-171.835-31.9000110.9
380P42.7Very low42.4Very low129 Ų129138.5 Ų138.584%0.83882%0.821SS**PPolyproline II helixtrans-88129.3171.432.5-27.5000110.7
381M39.6Very low42.6Very low179 Ų179136.5 Ų136.588%0.88282%0.819SS**PPolyproline II helixtrans-69.7148.7167.8-71.3-87.9-96.500111.1
382F38.7Very low43Very low198 Ų198135.5 Ų135.587%0.86882%0.818SS**PPolyproline II helixtrans-51.2145.7161.2-100.1-103.7000112.1
383H35.8Very low42.8Very low186 Ų186135.8 Ų135.886%0.86182%0.821SS**  trans-168163.9144.9-97.311.7000112.9
384P42.4Very low42.9Very low120 Ų120135.9 Ų135.978%0.77982%0.821SS**  trans-101.9-179.2-136.140.8-39.6000117.5
385L40.2Very low42.6Very low182 Ų182136 Ų13695%0.95382%0.822SS**  trans-31.7137.7175.4-68.5152.1000118.9
386G34.3Very low42.6Very low74 Ų74137.7 Ų137.776%0.76382%0.823SS**  trans166.1155.3160.600000115.1
387P44.7Very low42.7Very low120 Ų120140.3 Ų140.378%0.77983%0.826SS**  trans-112.3154.9-134.638.6-30.6000119.3
388M45.4Very low42.8Very low187 Ų187137.2 Ų137.292%0.92182%0.822SS**  trans57.4110.1143.9-56.6-82.6-176.700121.6
389A41.8Very low42.8Very low99 Ų99145.1 Ų145.182%0.81883%0.831SS**  trans-158.4147.3146.100000111.7
390P47.6Very low42.7Very low123 Ų123144.9 Ų144.980%0.79983%0.83SS**PPolyproline II helixtrans-94.1160.5-168.137.3-33.7000114.1
391P43Very low42.9Very low130 Ų130144.9 Ų144.984%0.84483%0.83SS**PPolyproline II helixtrans-91.9147.1-17835.2-31.4000114
392V49.6Very low43Very low138 Ų138139.9 Ų139.984%0.83682%0.824SS**PPolyproline II helixtrans-78.5155.9176.3-112.40000112.4
393P45.9Very low43.6Very low116 Ų116137.3 Ų137.375%0.75383%0.825SS**PPolyproline II helixtrans-92155.6-173.936.1-31.8000113.8
394P49Very low44.4Very low120 Ų120135.8 Ų135.878%0.77982%0.821SS**PPolyproline II helixtrans-91.7163.9174.235.7-31.7000113.3
395P39.2Very low44.8Very low127 Ų127137 Ų13783%0.82582%0.816SS**PPolyproline II helixtrans-85.8151.6-161.334.1-33.9000114.2
396L44.1Very low45.6Very low168 Ų168135.9 Ų135.988%0.8880%0.8SS**PPolyproline II helixtrans-73.3120.1170.8-78.6157.8000110.6
397T42.1Very low46.3Very low121 Ų121137.6 Ų137.674%0.74280%0.798SS**  trans171.5117.313837.50000108.7
398M38.9Very low46.8Very low177 Ų177136.8 Ų136.887%0.87280%0.796SS**  trans161.5137.6137.5-82.1-61.2109.300111.1
399R45.1Very low47.2Very low232 Ų232134.9 Ų134.988%0.87578%0.784SS**PPolyproline II helixtrans-62.5149.6-167-155.8171.9-179-148.11.9113.6
400P46.1Very low47.7Very low117 Ų117134.2 Ų134.276%0.7677%0.767SS**PPolyproline II helixtrans-76146-178.530.3-33.3000112.5
401P47.5Very low48Very low129 Ų129133.8 Ų133.884%0.83876%0.764SS**PPolyproline II helixtrans-76.1147.9174.230.2-31.7000112
402G42.3Very low48.7Very low73 Ų73136.2 Ų136.275%0.75376%0.764SS**PPolyproline II helixtrans-65162.6-169.600000116.4
403T50.2Low48.7Very low145 Ų145140 Ų14089%0.8976%0.763SS**PPolyproline II helixtrans-62.5127.3179.340.10000112.5H405T403-H405 PolarHBondContact O-N 3.4Å
404I52.4Low49.1Very low153 Ų153143.1 Ų143.179%0.78577%0.77SS**  trans-69.5113172-63.8166.8000108.5Y406I404-Y406 HydrophobicContact CG2-CD2 4.46Å
405H51.7Low48.8Very low146 Ų146140.9 Ų140.968%0.67677%0.769SS**  trans-82.5118.4179.1-165.1-34.3000110.1T403T403-H405 PolarHBondContact O-N 3.4Å
406Y57.3Low48.8Very low158 Ų158138.8 Ų138.862%0.6276%0.762SS**  trans-89.6139.2172.9-106.9-95.5000110.6I404 S408 Q409I404-Y406 HydrophobicContact CG2-CD2 4.46Å; Y406-S408 PolarHBondContact O-N 2.81Å; Y406-Q409 PolarHBondContact O-N 2.9Å
407P47.8Very low48.5Very low111 Ų111140.1 Ų140.172%0.72176%0.764SS**THydrogen-bonded Turntrans-67.23.9-179.3-23.334.3000116.7
408S55.4Low48.2Very low103 Ų103140.4 Ų140.472%0.7277%0.77SS**THydrogen-bonded Turntrans-92.11.4177.955.30000113.9Y406Y406-S408 PolarHBondContact O-N 2.81Å
409Q53.4Low48.1Very low147 Ų147136.9 Ų136.969%0.68777%0.769SS**  trans-110.414.9-175.5-67.9-172.9-9.900114Y406 P411Y406-Q409 PolarHBondContact O-N 2.9Å; Q409-P411 WeakPolarHBondContact O-CD 3.49Å
410D53.2Low47.7Very low85 Ų85135.2 Ų135.246%0.45577%0.771SS.*  trans-93110.3178.9-163.9-17.7000111.5Q412D410-Q412 PolarHBondContact O-N 2.89Å; D410-Q412 PolarHBondContact OD1-N 2.73Å; D410-Q412 VanDerWaalsContact OD1-N 3.12Å
411P53.5Low47.2Very low113 Ų113133 Ų13373%0.73477%0.77SS**G310 helixtrans-71.3-11.7-179.2-13.830.2000113.8Q409Q409-P411 WeakPolarHBondContact O-CD 3.49Å
412Q57.3Low46.9Very low181 Ų181132.7 Ų132.785%0.84677%0.771SS**G310 helixtrans-88.3-2.7-179.1-74.4-178.8-48.900113.9D410D410-Q412 PolarHBondContact O-N 2.89Å; D410-Q412 PolarHBondContact OD1-N 2.73Å; D410-Q412 VanDerWaalsContact OD1-N 3.12Å
413R50.4Low46.8Very low218 Ų218140.3 Ų140.382%0.82378%0.777SS**G310 helixtrans-96.313.5174.9-151.8-177.1178.6-140.2-0.9113.9
414M54.3Low46.4Very low181 Ų181142.5 Ų142.589%0.89278%0.776SS**  trans-105.390.1167.7-79.8-98.5-9900108.5
415G43.1Very low46Very low73 Ų73140.9 Ų140.975%0.75377%0.774SS**  trans-160.496.617500000111.7
416A38.5Very low45.5Very low84 Ų84146.9 Ų146.969%0.69480%0.803SS**  trans162.1106131.200000110
417H37.6Very low44.9Very low196 Ų196146.4 Ų146.491%0.90781%0.812SS**  -177.675126.7-83.9-56.7000107.8
418S36.8Very low44.8Very low126 Ų126148.2 Ų148.288%0.88182%0.816SS**  trans-94.6107160.9-59.40000107.3
419A36.9Very low44.2Very low103 Ų103150.7 Ų150.785%0.85182%0.822SS**  trans-96.4109.5164.400000108.1
420H36.9Very low43.7Very low197 Ų197150.9 Ų150.991%0.91283%0.83SS**  trans-71.1128.9165.4-108.9-70000109.2
421G35.2Very low43.1Very low71 Ų71155.1 Ų155.173%0.73285%0.853SS**  trans-134.7122.8166.400000109.3
422S40.2Very low42.4Very low123 Ų123157.9 Ų157.986%0.8686%0.861SS**  trans-70.2157.3-163.7-31.90000115.2
423R40.8Very low41.3Very low233 Ų233156.2 Ų156.288%0.87986%0.862SS**  trans-43.2142.8166.7-68.8171.6172.6178.3-4114
424H41.4Very low40.6Very low190 Ų190151.5 Ų151.588%0.8887%0.865SS**  trans-139.9134.5133.3-111.3-77.3000109.9
425T44.7Very low39.4Very low120 Ų120149 Ų14974%0.73686%0.863SS**  trans-70.7143.1176.242.90000112.4
426E41.3Very low39.1Very low272 Ų272155.9 Ų155.9100%1.27187%0.873SS**  -153.10123.9-104.7-179.8141.300109.2

Retrieved 426 of 426 residues in 431 ms (Link to these results)