A0A077ZE67_TRITR Loading...

Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase wee-1.3

AlphaFold DB , UniProt , Accession A0A077ZE67, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 474 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.7Low60.3Low192 Ų192125.9 Ų125.995%0.94661%0.613SS**  0-58.80-86.1-179.776.900113R3 L4 L5M1-R3 PolarHBondContact O-N 3.28Å; M1-L4 WeakPolarHBondContact O-CA 3.27Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.26Å; M1-L5 PolarHBondContact O-N 2.95Å
2Q68.7Low59.1Low170 Ų170126.9 Ų126.979%0.79461%0.612SS**Hα-helixtrans-57-42.5-178.4-79.3175.1-25.100114.7L4 L5 A6Q2-L4 VanDerWaalsContact C-N 3.27Å; Q2-L4 PolarHBondContact O-N 3.28Å; Q2-L5 PolarHBondContact O-N 3.26Å; Q2-A6 PolarHBondContact O-N 3.05Å
3R63Low57.8Low225 Ų225127.2 Ų127.285%0.84962%0.619SS**Hα-helixtrans-62.5-33.6173-79.8-173.6-175.3175.71.3113.6M1 A6 T7M1-R3 PolarHBondContact O-N 3.28Å; R3-A6 PolarHBondContact O-N 3.32Å; R3-T7 WeakPolarHBondContact O-CG2 3.36Å; R3-T7 PolarHBondContact O-N 3.08Å; R3-T7 PolarHBondContact O-OG1 3.09Å; R3-T7 VanDerWaalsContact O-OG1 3.07Å
4L63.6Low56.4Low115 Ų115123 Ų12360%0.60262%0.615SS**Hα-helixtrans-73-35.6179-126.3147.7000110.6M1 Q2 T7 M8M1-L4 WeakPolarHBondContact O-CA 3.27Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.26Å; Q2-L4 VanDerWaalsContact C-N 3.27Å; Q2-L4 PolarHBondContact O-N 3.28Å; L4-T7 WeakPolarHBondContact CA-OG1 3.47Å; L4-T7 PolarHBondContact O-OG1 3.04Å; L4-M8 HydrophobicContact CD2-SD 4.39Å; L4-M8 WeakPolarHBondContact O-CB 3.39Å; L4-M8 WeakPolarHBondContact O-CG 3.32Å; L4-M8 PolarHBondContact O-N 3.24Å
5L71Confident54.9Low96 Ų96127.2 Ų127.250%0.50362%0.62SS.*Hα-helixtrans-66.6-44171.3-76.2164.7000111.7M1 Q2 T7 M8 E9M1-L5 PolarHBondContact O-N 2.95Å; Q2-L5 PolarHBondContact O-N 3.26Å; L5-T7 PolarHBondContact O-N 2.83Å; L5-M8 CarbonylContact O-C 3.54Å; L5-M8 PolarHBondContact O-N 3.5Å; L5-M8 VanDerWaalsContact O-N 3.13Å; L5-E9 PolarHBondContact O-N 3.01Å
6A70.2Confident53.6Low49 Ų49125.2 Ų125.241%0.40562%0.618SS.*Hα-helixtrans-62.8-42.8177.300000112.3Q2 R3 M8 E9 E10Q2-A6 PolarHBondContact O-N 3.05Å; R3-A6 PolarHBondContact O-N 3.32Å; A6-M8 VanDerWaalsContact C-N 3.29Å; A6-M8 PolarHBondContact O-N 3.04Å; A6-E9 PolarHBondContact O-N 3.31Å; A6-E10 PolarHBondContact O-N 2.93Å
7T64.1Low52.5Low72 Ų72124.3 Ų124.344%0.44262%0.621SS.*Hα-helixtrans-67.9-29.1174.349.70000112.7R3 L4 L5 E11R3-T7 WeakPolarHBondContact O-CG2 3.36Å; R3-T7 PolarHBondContact O-N 3.08Å; R3-T7 PolarHBondContact O-OG1 3.09Å; R3-T7 VanDerWaalsContact O-OG1 3.07Å; L4-T7 WeakPolarHBondContact CA-OG1 3.47Å; L4-T7 PolarHBondContact O-OG1 3.04Å; L5-T7 PolarHBondContact O-N 2.83Å; T7-E11 VanDerWaalsContact O-CB 3.22Å; T7-E11 WeakPolarHBondContact O-CB 3.41Å; T7-E11 WeakPolarHBondContact O-CG 3.47Å; T7-E11 PolarHBondContact O-N 3.46Å
8M60.9Low51.2Low97 Ų97121.9 Ų121.948%0.47862%0.617SS.*Hα-helixtrans-77.6-27.8174.2-75.5-176.377.400112.6L4 L5 A6 K12L4-M8 HydrophobicContact CD2-SD 4.39Å; L4-M8 WeakPolarHBondContact O-CB 3.39Å; L4-M8 WeakPolarHBondContact O-CG 3.32Å; L4-M8 PolarHBondContact O-N 3.24Å; L5-M8 CarbonylContact O-C 3.54Å; L5-M8 PolarHBondContact O-N 3.5Å; L5-M8 VanDerWaalsContact O-N 3.13Å; A6-M8 VanDerWaalsContact C-N 3.29Å; A6-M8 PolarHBondContact O-N 3.04Å; M8-K12 WeakPolarHBondContact O-CB 3.4Å; M8-K12 WeakPolarHBondContact O-CG 3.43Å; M8-K12 PolarHBondContact O-N 2.92Å
9E59.3Low50.2Low131 Ų131128.1 Ų128.161%0.61263%0.632SS**Hα-helixtrans-71.5-46.5169.3-80.3174.5163.100110.3L5 A6 E11 K12 D13L5-E9 PolarHBondContact O-N 3.01Å; A6-E9 PolarHBondContact O-N 3.31Å; E9-E11 PolarHBondContact O-N 3.3Å; E9-K12 PolarHBondContact O-N 3.33Å; E9-D13 PolarHBondContact O-N 3.42Å
10E48.4Very low49.6Very low144 Ų144127.4 Ų127.467%0.67364%0.635SS**Hα-helixtrans-63-40.1172.3-85.8-175.7155.700112.7A6 D13 A14A6-E10 PolarHBondContact O-N 2.93Å; E10-D13 PolarHBondContact O-N 3.26Å; E10-A14 VanDerWaalsContact O-CB 3.23Å; E10-A14 WeakPolarHBondContact O-CB 3.49Å; E10-A14 PolarHBondContact O-N 3.19Å
11E43.8Very low49.4Very low94 Ų94126.6 Ų126.644%0.43964%0.639SS.*Hα-helixtrans-71.9-29174.6-86.2-159131.500112.6T7 E9 R15T7-E11 VanDerWaalsContact O-CB 3.22Å; T7-E11 WeakPolarHBondContact O-CB 3.41Å; T7-E11 WeakPolarHBondContact O-CG 3.47Å; T7-E11 PolarHBondContact O-N 3.46Å; E9-E11 PolarHBondContact O-N 3.3Å; E11-R15 VanDerWaalsContact O-CB 3.24Å; E11-R15 WeakPolarHBondContact O-CB 3.22Å; E11-R15 WeakPolarHBondContact O-CG 3.47Å; E11-R15 PolarHBondContact O-N 3.46Å; E11-R15 IonicContact OE1-CZ 3.38Å; E11-R15 IonicContact OE1-NE 3.38Å; E11-R15 PolarHBondContact OE1-NE 3.34Å; E11-R15 IonicContact OE1-NH2 2.59Å; E11-R15 PolarHBondContact OE1-NH2 3.27Å; E11-R15 IonicContact OE2-NH2 3.2Å
12K45.9Very low49.3Very low138 Ų138122.2 Ų122.260%0.662%0.619SS**Hα-helixtrans-68.5-38.7170-86.3178177.2-1790110.4M8 E9 T16M8-K12 WeakPolarHBondContact O-CB 3.4Å; M8-K12 WeakPolarHBondContact O-CG 3.43Å; M8-K12 PolarHBondContact O-N 2.92Å; E9-K12 PolarHBondContact O-N 3.33Å; K12-T16 WeakPolarHBondContact O-CB 3.44Å; K12-T16 PolarHBondContact O-N 2.78Å; K12-T16 VanDerWaalsContact O-N 3.11Å; K12-T16 PolarHBondContact O-OG1 3.45Å
13D41.8Very low48.8Very low131 Ų131114.7 Ų114.770%0.70159%0.585SS**Hα-helixtrans-71-35.8175-74.3-16.3000111.8E9 E10E9-D13 PolarHBondContact O-N 3.42Å; E10-D13 PolarHBondContact O-N 3.26Å
14A37.9Very low49Very low68 Ų68105.4 Ų105.456%0.56255%0.554SS**Hα-helixtrans-79.3-37.3-179.600000114.1E10 V17E10-A14 VanDerWaalsContact O-CB 3.23Å; E10-A14 WeakPolarHBondContact O-CB 3.49Å; E10-A14 PolarHBondContact O-N 3.19Å; A14-V17 PolarHBondContact O-N 3.34Å
15R33.9Very low49.7Very low186 Ų186100.2 Ų100.270%0.70253%0.527SS*.Hα-helixtrans-85.8-10.4177.3-63.8-174.5-169.9-167.85.7113.2E11 V17E11-R15 VanDerWaalsContact O-CB 3.24Å; E11-R15 WeakPolarHBondContact O-CB 3.22Å; E11-R15 WeakPolarHBondContact O-CG 3.47Å; E11-R15 PolarHBondContact O-N 3.46Å; E11-R15 IonicContact OE1-CZ 3.38Å; E11-R15 IonicContact OE1-NE 3.38Å; E11-R15 PolarHBondContact OE1-NE 3.34Å; E11-R15 IonicContact OE1-NH2 2.59Å; E11-R15 PolarHBondContact OE1-NH2 3.27Å; E11-R15 IonicContact OE2-NH2 3.2Å; R15-V17 VanDerWaalsContact C-N 3.3Å
16T34.4Very low50.2Low95 Ų9598.8 Ų98.858%0.58352%0.516SS*.THydrogen-bonded Turntrans-96.423.6166.8-31.80000112.2K12 C18K12-T16 WeakPolarHBondContact O-CB 3.44Å; K12-T16 PolarHBondContact O-N 2.78Å; K12-T16 VanDerWaalsContact O-N 3.11Å; K12-T16 PolarHBondContact O-OG1 3.45Å; T16-C18 PolarHBondContact O-N 2.98Å
17V34.2Very low50.7Low110 Ų11097.4 Ų97.467%0.66750%0.501SS*.  trans-70.766.4134.8-168.20000106.5A14 R15 R19A14-V17 PolarHBondContact O-N 3.34Å; R15-V17 VanDerWaalsContact C-N 3.3Å; V17-R19 PolarHBondContact O-N 3.31Å; V17-R19 VanDerWaalsContact O-N 3.16Å
18C30.1Very low50.9Low81 Ų8194.9 Ų94.955%0.54749%0.485SS..  trans-38.5126.5153.6-85.70000105.5T16 T20T16-C18 PolarHBondContact O-N 2.98Å; C18-T20 WeakPolarHBondContact O-CA 3.18Å; C18-T20 PolarHBondContact O-N 3.33Å
19R31.6Very low50.5Low240 Ų24094 Ų9491%0.90648%0.482SS*.  trans-37.1101.5160.9-68.5177.6177.5-178.5-2.2105.7V17V17-R19 PolarHBondContact O-N 3.31Å; V17-R19 VanDerWaalsContact O-N 3.16Å
20T38.3Very low49.6Very low114 Ų11492.7 Ų92.770%0.69948%0.48SS*.  trans-56125.3-171.938.60000104.3C18 L22C18-T20 WeakPolarHBondContact O-CA 3.18Å; C18-T20 PolarHBondContact O-N 3.33Å; T20-L22 PolarHBondContact O-N 3.08Å
21P45.3Very low49.2Very low110 Ų11094 Ų9471%0.71449%0.487SS*.  trans-50.2125.5-179.317-27.9000107.3
22L48.9Very low48.9Very low100 Ų10096.4 Ų96.452%0.52450%0.504SS..  trans-41.6141.7-178.3-75.9165.3000109.9T20 T24T20-L22 PolarHBondContact O-N 3.08Å; L22-T24 VanDerWaalsContact C-N 3.34Å; L22-T24 WeakPolarHBondContact O-CG2 3.43Å; L22-T24 PolarHBondContact O-N 3.41Å; L22-T24 PolarHBondContact O-OG1 3.27Å
23P57.6Low48.6Very low13 Ų1391.7 Ų91.78%0.08449%0.494CS..  trans-53.296-166.522.2-34.4000109.3Y67 E149 N150P23-Y67 PolarHBondContact O-OH 3.06Å; P23-E149 HydrophobicContact CB-CG 4.48Å; P23-N150 WeakPolarHBondContact CB-OD1 3.46Å
24T68.1Low48.4Very low30 Ų3089.9 Ų89.918%0.18449%0.488CS..  trans-112.7110-177.831.30000107.5L22 K26 Y67 R69L22-T24 VanDerWaalsContact C-N 3.34Å; L22-T24 WeakPolarHBondContact O-CG2 3.43Å; L22-T24 PolarHBondContact O-N 3.41Å; L22-T24 PolarHBondContact O-OG1 3.27Å; T24-K26 PolarHBondContact O-N 3.24Å; T24-Y67 WeakPolarHBondContact CA-OH 3.33Å; T24-R69 VanDerWaalsContact CG2-CD 3.5Å; T24-R69 HydrophobicContact CG2-CG 3.61Å
25P78.4Confident48.9Very low6 Ų689.2 Ų89.24%0.03947%0.471CS..PPolyproline II helixtrans-61.4126173.630-36.7000107.2F27 Y67 Y75 W147 E148P25-F27 HydrophobicContact CB-CD2 4.42Å; P25-F27 HydrophobicContact CB-CE2 3.69Å; P25-F27 HydrophobicContact CB-CZ 3.73Å; P25-F27 HydrophobicContact CG-CE2 3.54Å; P25-F27 HydrophobicContact CG-CZ 3.8Å; P25-Y67 VanDerWaalsContact CD-OH 3.23Å; P25-Y67 WeakPolarHBondContact CD-OH 3.37Å; P25-Y67 HydrophobicContact CG-CE1 4.11Å; P25-Y67 HydrophobicContact CG-CE2 4.27Å; P25-Y75 HydrophobicContact CB-CD1 4.37Å; P25-Y75 HydrophobicContact CB-CD2 4.43Å; P25-Y75 HydrophobicContact CB-CG 3.94Å; P25-Y75 HydrophobicContact CG-CD2 3.85Å; P25-Y75 HydrophobicContact CG-CG 3.79Å; P25-W147 HydrophobicContact CB-CB 4.31Å; P25-W147 HydrophobicContact CB-CG 4.24Å; P25-E148 CarbonylContact C-O 3.54Å; P25-E148 VanDerWaalsContact CA-O 3.29Å; P25-E148 WeakPolarHBondContact CA-O 3.31Å
26K81.2Confident49.6Very low65 Ų6581.9 Ų81.928%0.28345%0.448SS..EExtended strand (participates in β ladder)trans-89.8129164-53.3179.9-172.3152.40105.4T24 W35 T37 W147 E148T24-K26 PolarHBondContact O-N 3.24Å; K26-W35 VanDerWaalsContact C-CE3 3.42Å; K26-W35 HydrophobicContact CB-CD2 4.24Å; K26-W35 HydrophobicContact CB-CE3 3.4Å; K26-W35 VanDerWaalsContact CB-CE3 3.4Å; K26-W35 HydrophobicContact CB-CZ3 4.08Å; K26-W35 WeakPolarHBondContact O-CZ3 3.48Å; K26-T37 HydrophobicContact CG-CG2 4.16Å; K26-W147 CarbonylContact O-C 3.54Å; K26-W147 WeakPolarHBondContact O-CA 3.21Å; K26-W147 WeakPolarHBondContact O-CB 3.39Å; K26-E148 HydrophobicContact CB-CB 4.37Å; K26-E148 PolarHBondContact N-O 3.38Å; K26-E148 IonicContact NZ-OE1 2.69Å; K26-E148 PolarHBondContact NZ-OE1 3.49Å; K26-E148 IonicContact NZ-OE2 2.76Å; K26-E148 PolarHBondContact O-N 3.22Å
27F80.7Confident50.1Low21 Ų2181 Ų819%0.09244%0.443CS..EExtended strand (participates in β ladder)trans-103.8151.9174.7-64.7-84.2000110.6P25 W35 M64 Y75 K145 W147P25-F27 HydrophobicContact CB-CD2 4.42Å; P25-F27 HydrophobicContact CB-CE2 3.69Å; P25-F27 HydrophobicContact CB-CZ 3.73Å; P25-F27 HydrophobicContact CG-CE2 3.54Å; P25-F27 HydrophobicContact CG-CZ 3.8Å; F27-W35 VanDerWaalsContact O-CE3 3.25Å; F27-M64 HydrophobicContact CD1-CE 4.47Å; F27-M64 HydrophobicContact CD2-CE 3.75Å; F27-M64 HydrophobicContact CE1-CE 4.12Å; F27-M64 HydrophobicContact CE1-SD 4.16Å; F27-M64 HydrophobicContact CE2-CE 3.32Å; F27-M64 HydrophobicContact CE2-SD 3.53Å; F27-M64 VanDerWaalsContact CE2-SD 3.53Å; F27-M64 HydrophobicContact CG-CE 4.31Å; F27-M64 HydrophobicContact CZ-CE 3.54Å; F27-M64 HydrophobicContact CZ-SD 3.32Å; F27-M64 WeakPolarHBondContact CZ-SD 3.38Å; F27-Y75 AromaticContact CE1-CE1 4Å; F27-Y75 HydrophobicContact CE1-CE1 4Å; F27-Y75 HydrophobicContact CE1-CE2 4.5Å; F27-Y75 AromaticContact CE1-CZ 3.98Å; F27-Y75 HydrophobicContact CZ-CD1 4.25Å; F27-Y75 HydrophobicContact CZ-CD2 4.05Å; F27-Y75 AromaticContact CZ-CE1 3.91Å; F27-Y75 HydrophobicContact CZ-CE1 3.91Å; F27-Y75 AromaticContact CZ-CE2 3.72Å; F27-Y75 HydrophobicContact CZ-CE2 3.72Å; F27-Y75 HydrophobicContact CZ-CG 4.31Å; F27-Y75 AromaticContact CZ-CZ 3.65Å; F27-K145 HydrophobicContact CE1-CD 4.3Å; F27-W147 HydrophobicContact CD1-CB 3.77Å; F27-W147 HydrophobicContact CE1-CB 3.82Å; F27-W147 HydrophobicContact CE1-CD2 4.47Å; F27-W147 HydrophobicContact CE1-CE3 4.48Å; F27-W147 HydrophobicContact CE1-CG 4.22Å; F27-W147 HydrophobicContact CG-CB 4.42Å
28L67.4Low50.2Low19 Ų1984 Ų8410%0.09945%0.447CS..EExtended strand (participates in β ladder)trans-77.4128.1166.6-167.666000108.8W35 V128 E132L28-W35 HydrophobicContact CB-CH2 4.28Å; L28-W35 HydrophobicContact CB-CZ2 4.43Å; L28-W35 HydrophobicContact CD1-CZ2 4.01Å; L28-V128 HydrophobicContact CD2-CB 4.26Å; L28-V128 HydrophobicContact CD2-CG1 3.43Å; L28-V128 VanDerWaalsContact CD2-CG1 3.43Å; L28-E132 VanDerWaalsContact CD2-OE2 3.26Å; L28-E132 WeakPolarHBondContact CD2-OE2 3.36Å
29N53.8Low50.4Low79 Ų7989.1 Ų89.142%0.42246%0.455SS..PPolyproline II helixtrans-94.7133.9172.9-82.2-7.2000110.3M31 S36N29-M31 PolarHBondContact O-N 3.46Å; N29-S36 WeakPolarHBondContact ND2-CB 3.48Å
30N40.6Very low50.8Low103 Ų10380.3 Ų80.355%0.55143%0.428SS*.SBendtrans-60131174.8-126.3-21.8000110.7
31M38.7Very low50.2Low170 Ų17082.9 Ų82.984%0.83743%0.425SS*.SBendtrans71.2106.4-172.1-51.4-158.8-155.600115.8N29N29-M31 PolarHBondContact O-N 3.46Å
32N37.4Very low49.3Very low146 Ų14681.5 Ų81.578%0.78142%0.415SS*.SBendtrans73.859175.9-56-16.7000116.2T34N32-T34 WeakPolarHBondContact O-CA 3.31Å; N32-T34 WeakPolarHBondContact O-CB 3.41Å; N32-T34 VanDerWaalsContact O-CG2 3.32Å; N32-T34 WeakPolarHBondContact O-CG2 3.3Å; N32-T34 PolarHBondContact O-N 3.45Å; N32-T34 PolarHBondContact O-OG1 2.92Å
33G40.2Very low48.3Very low39 Ų3984.7 Ų84.740%0.40243%0.426SS..SBendtrans45.313.4150.200000119.6
34T38.1Very low46.6Very low93 Ų9390.3 Ų90.357%0.57146%0.46SS*.  trans-104.5119.3-167.441.80000109.5N32 S36N32-T34 WeakPolarHBondContact O-CA 3.31Å; N32-T34 WeakPolarHBondContact O-CB 3.41Å; N32-T34 VanDerWaalsContact O-CG2 3.32Å; N32-T34 WeakPolarHBondContact O-CG2 3.3Å; N32-T34 PolarHBondContact O-N 3.45Å; N32-T34 PolarHBondContact O-OG1 2.92Å; T34-S36 PolarHBondContact O-N 3.27Å
35W48.7Very low44.6Very low53 Ų5397.7 Ų97.720%0.20148%0.484CS..EExtended strand (participates in β ladder)trans-70.6127.3176.9-64.978.2000109.9K26 F27 L28 L125 E148 F153K26-W35 VanDerWaalsContact C-CE3 3.42Å; K26-W35 HydrophobicContact CB-CD2 4.24Å; K26-W35 HydrophobicContact CB-CE3 3.4Å; K26-W35 VanDerWaalsContact CB-CE3 3.4Å; K26-W35 HydrophobicContact CB-CZ3 4.08Å; K26-W35 WeakPolarHBondContact O-CZ3 3.48Å; F27-W35 VanDerWaalsContact O-CE3 3.25Å; L28-W35 HydrophobicContact CB-CH2 4.28Å; L28-W35 HydrophobicContact CB-CZ2 4.43Å; L28-W35 HydrophobicContact CD1-CZ2 4.01Å; W35-L125 HydrophobicContact CH2-CD2 3.74Å; W35-L125 HydrophobicContact CZ2-CD1 3.48Å; W35-L125 VanDerWaalsContact CZ2-CD1 3.48Å; W35-L125 HydrophobicContact CZ2-CD2 3.15Å; W35-L125 HydrophobicContact CZ2-CG 3.85Å; W35-E148 HydrophobicContact CZ3-CB 4.34Å; W35-F153 HydrophobicContact CH2-CE2 4.42Å
36S49Very low42Very low33 Ų33105.6 Ų105.623%0.23153%0.525CS..EExtended strand (participates in β ladder)trans-96121.3168.8179.60000110.4N29 T34 K38N29-S36 WeakPolarHBondContact ND2-CB 3.48Å; T34-S36 PolarHBondContact O-N 3.27Å; S36-K38 WeakPolarHBondContact OG-CB 3.5Å; S36-K38 PolarHBondContact OG-N 2.93Å; S36-K38 PolarHBondContact OG-O 3.33Å
37T44.2Very low39.4Very low77 Ų77109 Ų10947%0.47255%0.546SS..  trans-91.2-6.7156.357.90000111.8K26 R39 R69K26-T37 HydrophobicContact CG-CG2 4.16Å; T37-R39 PolarHBondContact O-N 2.9Å; T37-R69 PolarHBondContact O-NH2 2.73Å
38K37Very low36.7Very low173 Ų173115 Ų11575%0.75258%0.578SS**SBendtrans-65.3129.9-173.4-68.1-177.6177.4174.80108.6S36 V40S36-K38 WeakPolarHBondContact OG-CB 3.5Å; S36-K38 PolarHBondContact OG-N 2.93Å; S36-K38 PolarHBondContact OG-O 3.33Å; K38-V40 PolarHBondContact O-N 2.86Å; K38-V40 VanDerWaalsContact O-N 3.11Å
39R34.2Very low34.8Very low187 Ų187120.8 Ų120.871%0.70661%0.608SS**  trans-2.3100.1166.9-124.2-174.5-85.3-167.8-6.6110.6T37 R41T37-R39 PolarHBondContact O-N 2.9Å; R39-R41 HydrophobicContact CB-CG 3.89Å; R39-R41 HydrophobicContact CG-CG 4.39Å; R39-R41 WeakPolarHBondContact O-CG 3.47Å; R39-R41 PolarHBondContact O-N 2.87Å
40V38.8Very low33.4Very low56 Ų56121.9 Ų121.934%0.33962%0.622SS.*  trans-60.591.2161.6179.50000103.9K38 P42 M64K38-V40 PolarHBondContact O-N 2.86Å; K38-V40 VanDerWaalsContact O-N 3.11Å; V40-P42 WeakPolarHBondContact O-CD 3.48Å; V40-M64 HydrophobicContact CB-CE 4.41Å; V40-M64 HydrophobicContact CG1-CB 4.02Å; V40-M64 HydrophobicContact CG1-CE 3.67Å; V40-M64 HydrophobicContact CG1-CG 4.38Å; V40-M64 HydrophobicContact CG1-SD 4.15Å; V40-M64 HydrophobicContact CG2-CE 3.78Å; V40-M64 HydrophobicContact CG2-SD 4.4Å
41R26.6Very low32.7Very low168 Ų168122.6 Ų122.663%0.63463%0.631SS**  trans-78.7121.5-176.5-68.1-165.1-177.2-161.32.2105.2R39 F43R39-R41 HydrophobicContact CB-CG 3.89Å; R39-R41 HydrophobicContact CG-CG 4.39Å; R39-R41 WeakPolarHBondContact O-CG 3.47Å; R39-R41 PolarHBondContact O-N 2.87Å; R41-F43 PolarHBondContact O-N 2.94Å
42P25.5Very low32.3Very low80 Ų80121.9 Ų121.952%0.51963%0.629SS.*  trans-60.7110.2161.624.3-26.7000105.2V40 T44V40-P42 WeakPolarHBondContact O-CD 3.48Å; P42-T44 PolarHBondContact O-N 3.26Å
43F27.8Very low31.9Very low168 Ų168122.1 Ų122.174%0.73763%0.63SS**  trans-74.677.3175.5-154.3-90000107.2R41 R45R41-F43 PolarHBondContact O-N 2.94Å; F43-R45 VanDerWaalsContact C-N 3.34Å; F43-R45 HydrophobicContact CD1-CB 4.25Å; F43-R45 HydrophobicContact CE1-CB 4Å; F43-R45 PolarHBondContact O-N 3.38Å
44T23.3Very low31.4Very low130 Ų130128.9 Ų128.980%0.79865%0.651SS**  trans-67.797.1161.541.70000107.2P42P42-T44 PolarHBondContact O-N 3.26Å
45R25.2Very low31Very low185 Ų185132.3 Ų132.370%0.69866%0.664SS**  trans-144.594.8149.1-154.3168.5-170.6172.12.3110.7F43 L47F43-R45 VanDerWaalsContact C-N 3.34Å; F43-R45 HydrophobicContact CD1-CB 4.25Å; F43-R45 HydrophobicContact CE1-CB 4Å; F43-R45 PolarHBondContact O-N 3.38Å; R45-L47 HydrophobicContact CG-CD1 4.25Å; R45-L47 HydrophobicContact CG-CG 4.39Å; R45-L47 PolarHBondContact O-N 3.46Å; R45-L47 VanDerWaalsContact O-N 3.12Å
46L24.8Very low30.1Very low173 Ų173133.6 Ų133.691%0.90669%0.686SS**  trans-39.4110145.7-155.8111.7000108.5
47L26.3Very low29.1Very low136 Ų136141.5 Ų141.571%0.71272%0.72SS**  trans-136.7103.9159.5-101165.2000108.7R45R45-L47 HydrophobicContact CG-CD1 4.25Å; R45-L47 HydrophobicContact CG-CG 4.39Å; R45-L47 PolarHBondContact O-N 3.46Å; R45-L47 VanDerWaalsContact O-N 3.12Å
48L24Very low28.5Very low147 Ų147141 Ų14177%0.7773%0.73SS**  trans-30134.3156.4-162.777.9000112.1S50L48-S50 PolarHBondContact O-N 3.25Å
49L25.8Very low28.6Very low141 Ų141137.6 Ų137.674%0.73873%0.725SS**  trans-31.9122163.6-74.6126.2000113.4
50S24.9Very low28.9Very low102 Ų102137.2 Ų137.271%0.71373%0.729SS**  trans-146.3101.8140.366.30000109.5L48L48-S50 PolarHBondContact O-N 3.25Å
51T26.3Very low29Very low118 Ų118140.6 Ų140.672%0.72475%0.749SS**  trans55109.8142.255.40000118.6
52L30.5Very low29.9Very low155 Ų155135.8 Ų135.881%0.81274%0.736SS**  trans44.999.1131.5-64.8164.3000116.3
53N29Very low31.1Very low150 Ų150134.8 Ų134.880%0.80273%0.729SS**  -178.2135.6120.3-89.9-24.7000111.3
54H29.2Very low32.6Very low182 Ų182127.8 Ų127.884%0.84370%0.699SS**  trans75100.8165-72.3-69000120.3
55I30.8Very low35Very low165 Ų165126.4 Ų126.485%0.84669%0.69SS**  trans-37.7138.8142.8-62.7156.7000112.3
56A29.3Very low37.8Very low80 Ų80121.3 Ų121.366%0.66168%0.675SS**  trans126.6131.7142.100000116.2
57E28.3Very low40.7Very low199 Ų199114.8 Ų114.893%0.9364%0.638SS**  trans92.4115.6151.1-44.4-147168.700120.5
58G32.2Very low43.6Very low66 Ų66111.2 Ų111.268%0.6862%0.62SS**  trans136.1121.5159.300000114.6F60G58-F60 PolarHBondContact O-N 3.49Å
59P38.3Very low46.4Very low101 Ų101109.4 Ų109.466%0.65660%0.603SS**  trans-64.1123.3171.925.2-30000110V61P59-V61 PolarHBondContact O-N 2.93Å; P59-V61 VanDerWaalsContact O-N 3.11Å
60F39.8Very low49.3Very low180 Ų180107 Ų10779%0.78960%0.598SS**  trans-60.4104.3-178-149.9-103.8000110.2G58 L62G58-F60 PolarHBondContact O-N 3.49Å; F60-L62 HydrophobicContact CD1-CD2 3.51Å; F60-L62 HydrophobicContact CD1-CG 3.9Å; F60-L62 HydrophobicContact CE1-CD2 3.44Å; F60-L62 VanDerWaalsContact CE1-CD2 3.44Å; F60-L62 HydrophobicContact CE1-CG 4.33Å; F60-L62 PolarHBondContact O-N 3.28Å; F60-L62 VanDerWaalsContact O-N 3.16Å
61V42.2Very low52.2Low126 Ų126107.2 Ų107.276%0.76459%0.586SS**  trans-77.198.2163.5-176.90000106.2P59P59-V61 PolarHBondContact O-N 2.93Å; P59-V61 VanDerWaalsContact O-N 3.11Å
62L45.6Very low55.1Low68 Ų68110 Ų11036%0.35659%0.591SS.*  trans-54.2130.2170-73.6168.8000108.4F60 M64 D102F60-L62 HydrophobicContact CD1-CD2 3.51Å; F60-L62 HydrophobicContact CD1-CG 3.9Å; F60-L62 HydrophobicContact CE1-CD2 3.44Å; F60-L62 VanDerWaalsContact CE1-CD2 3.44Å; F60-L62 HydrophobicContact CE1-CG 4.33Å; F60-L62 PolarHBondContact O-N 3.28Å; F60-L62 VanDerWaalsContact O-N 3.16Å; L62-M64 PolarHBondContact O-N 3.06Å; L62-M64 VanDerWaalsContact O-N 3.12Å; L62-D102 HydrophobicContact CD1-CB 4.06Å
63P49.5Very low58Low58 Ų58104.2 Ų104.238%0.37757%0.565SS.*  trans-60.8117.7174.4-15.527.4000108.8T65P63-T65 PolarHBondContact O-N 2.8Å; P63-T65 VanDerWaalsContact O-N 3.13Å
64M59.3Low60.9Low22 Ų2297.5 Ų97.511%0.10853%0.53CS..  trans-61.6114.8175.7-61.6166.7-113.900108.9F27 V40 L62 Y75F27-M64 HydrophobicContact CD1-CE 4.47Å; F27-M64 HydrophobicContact CD2-CE 3.75Å; F27-M64 HydrophobicContact CE1-CE 4.12Å; F27-M64 HydrophobicContact CE1-SD 4.16Å; F27-M64 HydrophobicContact CE2-CE 3.32Å; F27-M64 HydrophobicContact CE2-SD 3.53Å; F27-M64 VanDerWaalsContact CE2-SD 3.53Å; F27-M64 HydrophobicContact CG-CE 4.31Å; F27-M64 HydrophobicContact CZ-CE 3.54Å; F27-M64 HydrophobicContact CZ-SD 3.32Å; F27-M64 WeakPolarHBondContact CZ-SD 3.38Å; V40-M64 HydrophobicContact CB-CE 4.41Å; V40-M64 HydrophobicContact CG1-CB 4.02Å; V40-M64 HydrophobicContact CG1-CE 3.67Å; V40-M64 HydrophobicContact CG1-CG 4.38Å; V40-M64 HydrophobicContact CG1-SD 4.15Å; V40-M64 HydrophobicContact CG2-CE 3.78Å; V40-M64 HydrophobicContact CG2-SD 4.4Å; L62-M64 PolarHBondContact O-N 3.06Å; L62-M64 VanDerWaalsContact O-N 3.12Å; M64-Y75 HydrophobicContact CG-CE2 4.13Å; M64-Y75 HydrophobicContact SD-CD2 4.3Å; M64-Y75 HydrophobicContact SD-CE2 3.39Å; M64-Y75 WeakPolarHBondContact SD-CE2 3.45Å
65T73.3Confident63.9Low100 Ų10088.8 Ų88.861%0.61349%0.49SS*.  trans-97.9-25.1-178.654.10000112.2P63 D101P63-T65 PolarHBondContact O-N 2.8Å; P63-T65 VanDerWaalsContact O-N 3.13Å; T65-D101 PolarHBondContact N-OD1 3.23Å
66H84Confident66.9Low79 Ų7981.6 Ų81.637%0.36645%0.452SS..SBendtrans-87.4-22.1-171.7-71.7-84.7000115D68 L100 D101H66-D68 PolarHBondContact O-N 3.22Å; H66-L100 HydrophobicContact CB-CB 4.47Å; H66-L100 HydrophobicContact CB-CD1 4.48Å; H66-L100 PolarHBondContact NE2-O 2.98Å; H66-D101 IonicContact CD2-OD1 3.48Å; H66-D101 PolarHBondContact CD2-OD1 2.95Å
67Y86.7Confident70Confident35 Ų3582.5 Ų82.514%0.13744%0.443CS..  trans-78.6118.9-175.4176.7-109.5000112.5P23 T24 P25 R69 Y75P23-Y67 PolarHBondContact O-OH 3.06Å; T24-Y67 WeakPolarHBondContact CA-OH 3.33Å; P25-Y67 VanDerWaalsContact CD-OH 3.23Å; P25-Y67 WeakPolarHBondContact CD-OH 3.37Å; P25-Y67 HydrophobicContact CG-CE1 4.11Å; P25-Y67 HydrophobicContact CG-CE2 4.27Å; Y67-R69 HydrophobicContact CE1-CB 4.1Å; Y67-Y75 AromaticContact CD2-CD2 3.76Å; Y67-Y75 HydrophobicContact CD2-CD2 3.76Å; Y67-Y75 HydrophobicContact CD2-CG 4.41Å; Y67-Y75 HydrophobicContact CE2-CD2 4.5Å; Y67-Y75 AromaticContact CG-CD2 3.81Å; Y67-Y75 HydrophobicContact CG-CD2 3.81Å
68D86.7Confident73.1Confident62 Ų6274 Ų7433%0.33240%0.403SS..  trans-114.6110.6173.2-178.4-2.8000110.1H66 S70 K71 Q78H66-D68 PolarHBondContact O-N 3.22Å; D68-S70 PolarHBondContact O-N 3Å; D68-S70 VanDerWaalsContact O-N 3.15Å; D68-S70 VanDerWaalsContact OD1-CB 3.3Å; D68-S70 WeakPolarHBondContact OD1-CB 3.45Å; D68-S70 PolarHBondContact OD1-N 2.85Å; D68-S70 PolarHBondContact OD1-OG 3.07Å; D68-S70 PolarHBondContact OD2-OG 2.82Å; D68-K71 HydrophobicContact CB-CD 4Å; D68-K71 HydrophobicContact CB-CG 4.06Å; D68-K71 PolarHBondContact O-N 3.06Å; D68-K71 VanDerWaalsContact O-N 3.13Å; D68-Q78 PolarHBondContact O-NE2 3.44Å; D68-Q78 PolarHBondContact O-OE1 2.9Å
69R83.3Confident76Confident108 Ų10870.8 Ų70.841%0.40837%0.37SS..THydrogen-bonded Turntrans-60.9-21.1178.3-178-179.7-67.3-170.9-10.4113.4T24 T37 Y67 K71T24-R69 VanDerWaalsContact CG2-CD 3.5Å; T24-R69 HydrophobicContact CG2-CG 3.61Å; T37-R69 PolarHBondContact O-NH2 2.73Å; Y67-R69 HydrophobicContact CE1-CB 4.1Å; R69-K71 VanDerWaalsContact C-N 3.28Å
70S85.7Confident78.8Confident91 Ų9166 Ų6664%0.63634%0.339SS*.THydrogen-bonded Turntrans-76.5-16179.374.10000113.3D68D68-S70 PolarHBondContact O-N 3Å; D68-S70 VanDerWaalsContact O-N 3.15Å; D68-S70 VanDerWaalsContact OD1-CB 3.3Å; D68-S70 WeakPolarHBondContact OD1-CB 3.45Å; D68-S70 PolarHBondContact OD1-N 2.85Å; D68-S70 PolarHBondContact OD1-OG 3.07Å; D68-S70 PolarHBondContact OD2-OG 2.82Å
71K86.3Confident81.4Confident106 Ų10660.2 Ų60.246%0.46132%0.316SS..SBendtrans-84148.2177.2-62.5-179.9-173.6169.60111D68 R69 A73D68-K71 HydrophobicContact CB-CD 4Å; D68-K71 HydrophobicContact CB-CG 4.06Å; D68-K71 PolarHBondContact O-N 3.06Å; D68-K71 VanDerWaalsContact O-N 3.13Å; R69-K71 VanDerWaalsContact C-N 3.28Å; K71-A73 VanDerWaalsContact C-N 3.29Å
72E87.4Confident84Confident177 Ų17759.4 Ų59.483%0.82731%0.307SS*.SBendtrans-72.9-23.4176.3-64.6-176.1165.600113
73A90.4Very high86.3Confident34 Ų3461 Ų6128%0.28131%0.309SS..SBendtrans-63.8143.6178.600000111.4K71 E77 Q78K71-A73 VanDerWaalsContact C-N 3.29Å; A73-E77 VanDerWaalsContact CA-OE2 3.3Å; A73-E77 WeakPolarHBondContact CA-OE2 3.49Å; A73-E77 HydrophobicContact CB-CB 4.13Å; A73-Q78 HydrophobicContact CB-CG 3.77Å; A73-Q78 PolarHBondContact O-NE2 3.27Å
74S91Very high88.6Confident8 Ų864.1 Ų64.16%0.05632%0.318CS..  trans-65.1156176.9127.40000111.6F76 E77 Q78 E149S74-F76 PolarHBondContact O-N 3.1Å; S74-F76 WeakPolarHBondContact OG-CB 3.49Å; S74-F76 PolarHBondContact OG-N 2.87Å; S74-E77 PolarHBondContact N-OE2 3Å; S74-E77 CarbonylContact O-C 3.56Å; S74-E77 WeakPolarHBondContact O-CA 3.39Å; S74-E77 WeakPolarHBondContact O-CB 3.36Å; S74-E77 PolarHBondContact O-N 2.63Å; S74-E77 PolarHBondContact OG-N 3.24Å; S74-Q78 WeakPolarHBondContact O-CB 3.4Å; S74-Q78 VanDerWaalsContact O-CG 3.31Å; S74-Q78 WeakPolarHBondContact O-CG 2.8Å; S74-Q78 PolarHBondContact O-N 3.43Å; S74-E149 WeakPolarHBondContact CA-OE1 3.14Å; S74-E149 WeakPolarHBondContact CB-OE2 2.94Å; S74-E149 PolarHBondContact OG-OE2 3.43Å
75Y91.7Very high90.3Very high0 Ų067.6 Ų67.60%034%0.335CS..Hα-helixtrans-50.5-45.8168.7173.9-100.6000111.6P25 F27 M64 Y67 E77 Q78 C79 F80 K145 W147 E149P25-Y75 HydrophobicContact CB-CD1 4.37Å; P25-Y75 HydrophobicContact CB-CD2 4.43Å; P25-Y75 HydrophobicContact CB-CG 3.94Å; P25-Y75 HydrophobicContact CG-CD2 3.85Å; P25-Y75 HydrophobicContact CG-CG 3.79Å; F27-Y75 AromaticContact CE1-CE1 4Å; F27-Y75 HydrophobicContact CE1-CE1 4Å; F27-Y75 HydrophobicContact CE1-CE2 4.5Å; F27-Y75 AromaticContact CE1-CZ 3.98Å; F27-Y75 HydrophobicContact CZ-CD1 4.25Å; F27-Y75 HydrophobicContact CZ-CD2 4.05Å; F27-Y75 AromaticContact CZ-CE1 3.91Å; F27-Y75 HydrophobicContact CZ-CE1 3.91Å; F27-Y75 AromaticContact CZ-CE2 3.72Å; F27-Y75 HydrophobicContact CZ-CE2 3.72Å; F27-Y75 HydrophobicContact CZ-CG 4.31Å; F27-Y75 AromaticContact CZ-CZ 3.65Å; M64-Y75 HydrophobicContact CG-CE2 4.13Å; M64-Y75 HydrophobicContact SD-CD2 4.3Å; M64-Y75 HydrophobicContact SD-CE2 3.39Å; M64-Y75 WeakPolarHBondContact SD-CE2 3.45Å; Y67-Y75 AromaticContact CD2-CD2 3.76Å; Y67-Y75 HydrophobicContact CD2-CD2 3.76Å; Y67-Y75 HydrophobicContact CD2-CG 4.41Å; Y67-Y75 HydrophobicContact CE2-CD2 4.5Å; Y67-Y75 AromaticContact CG-CD2 3.81Å; Y67-Y75 HydrophobicContact CG-CD2 3.81Å; Y75-E77 VanDerWaalsContact C-N 3.26Å; Y75-E77 PolarHBondContact O-N 3.39Å; Y75-Q78 PolarHBondContact O-N 3.23Å; Y75-C79 HydrophobicContact CD2-CB 4.29Å; Y75-C79 HydrophobicContact CE1-CB 4.45Å; Y75-C79 HydrophobicContact CE2-CB 3.87Å; Y75-C79 WeakPolarHBondContact CE2-SG 3.48Å; Y75-C79 VanDerWaalsContact O-CB 3.32Å; Y75-C79 WeakPolarHBondContact O-CB 3.15Å; Y75-C79 PolarHBondContact O-N 3.19Å; Y75-F80 AromaticContact CE1-CE2 3.93Å; Y75-F80 HydrophobicContact CE1-CE2 3.93Å; Y75-K145 PolarHBondContact OH-NZ 3.39Å; Y75-W147 AromaticContact CD1-CD2 3.96Å; Y75-W147 HydrophobicContact CD1-CD2 3.96Å; Y75-W147 AromaticContact CD1-CE2 3.53Å; Y75-W147 HydrophobicContact CD1-CG 4.31Å; Y75-W147 HydrophobicContact CD1-CH2 4.49Å; Y75-W147 AromaticContact CD1-CZ2 3.85Å; Y75-W147 HydrophobicContact CD1-CZ2 3.85Å; Y75-W147 AromaticContact CD1-NE1 3.64Å; Y75-W147 HydrophobicContact CE1-CD2 4.03Å; Y75-W147 AromaticContact CE1-CE2 3.93Å; Y75-W147 HydrophobicContact CE1-CE3 4.22Å; Y75-W147 HydrophobicContact CE1-CH2 4.23Å; Y75-W147 HydrophobicContact CE1-CZ2 4.05Å; Y75-W147 HydrophobicContact CE1-CZ3 4.31Å; Y75-E149 WeakPolarHBondContact CB-OE1 3.4Å; Y75-E149 PolarHBondContact N-OE1 3.12Å; Y75-E149 PolarHBondContact N-OE2 3.31Å
76F93.8Very high91.3Very high13 Ų1367 Ų676%0.05733%0.327CS..Hα-helixtrans-59.1-39.1175.5-175.7-126.2000111.8S74 F80 R83 Y95 A97 V108 W147 E149 Y154S74-F76 PolarHBondContact O-N 3.1Å; S74-F76 WeakPolarHBondContact OG-CB 3.49Å; S74-F76 PolarHBondContact OG-N 2.87Å; F76-F80 HydrophobicContact CD2-CB 4.14Å; F76-F80 AromaticContact CD2-CD2 3.56Å; F76-F80 HydrophobicContact CD2-CD2 3.56Å; F76-F80 HydrophobicContact CD2-CE2 4.11Å; F76-F80 AromaticContact CD2-CG 3.9Å; F76-F80 HydrophobicContact CD2-CG 3.9Å; F76-F80 HydrophobicContact CE2-CB 4.02Å; F76-F80 HydrophobicContact CE2-CD1 4.47Å; F76-F80 HydrophobicContact CE2-CD2 4.08Å; F76-F80 AromaticContact CE2-CG 3.94Å; F76-F80 HydrophobicContact CE2-CG 3.94Å; F76-F80 WeakPolarHBondContact O-CB 3.39Å; F76-F80 PolarHBondContact O-N 3.15Å; F76-R83 HydrophobicContact CE1-CB 4.39Å; F76-R83 HydrophobicContact CE1-CG 4.14Å; F76-R83 HydrophobicContact CE2-CG 4.36Å; F76-R83 HydrophobicContact CZ-CB 4.2Å; F76-R83 HydrophobicContact CZ-CG 3.84Å; F76-Y95 HydrophobicContact CE1-CD2 4.13Å; F76-Y95 HydrophobicContact CE1-CG 4.21Å; F76-Y95 HydrophobicContact CZ-CD2 4.14Å; F76-Y95 AromaticContact CZ-CG 3.99Å; F76-Y95 HydrophobicContact CZ-CG 3.99Å; F76-A97 HydrophobicContact CE2-CB 3.91Å; F76-A97 HydrophobicContact CZ-CB 4.15Å; F76-V108 HydrophobicContact CD2-CB 4.43Å; F76-V108 HydrophobicContact CD2-CG1 3.89Å; F76-V108 HydrophobicContact CD2-CG2 4.48Å; F76-V108 HydrophobicContact CE2-CB 3.69Å; F76-V108 HydrophobicContact CE2-CG1 3.6Å; F76-V108 HydrophobicContact CE2-CG2 3.83Å; F76-V108 HydrophobicContact CZ-CB 4.2Å; F76-V108 HydrophobicContact CZ-CG1 4.2Å; F76-W147 HydrophobicContact CB-CZ2 4.18Å; F76-W147 HydrophobicContact CD2-CZ2 4.2Å; F76-E149 PolarHBondContact N-OE2 3.02Å; F76-Y154 HydrophobicContact CB-CE1 4.14Å; F76-Y154 HydrophobicContact CD1-CE1 4.22Å; F76-Y154 HydrophobicContact CG-CE1 4.18Å
77E94.1Very high91.6Very high100 Ų10064.6 Ų64.647%0.46732%0.324SS..Hα-helixtrans-74.2-31.6178.4-63178.2133.900113.9A73 S74 Y75 R83A73-E77 VanDerWaalsContact CA-OE2 3.3Å; A73-E77 WeakPolarHBondContact CA-OE2 3.49Å; A73-E77 HydrophobicContact CB-CB 4.13Å; S74-E77 PolarHBondContact N-OE2 3Å; S74-E77 CarbonylContact O-C 3.56Å; S74-E77 WeakPolarHBondContact O-CA 3.39Å; S74-E77 WeakPolarHBondContact O-CB 3.36Å; S74-E77 PolarHBondContact O-N 2.63Å; S74-E77 PolarHBondContact OG-N 3.24Å; Y75-E77 VanDerWaalsContact C-N 3.26Å; Y75-E77 PolarHBondContact O-N 3.39Å; E77-R83 PolarHBondContact O-NH1 3.49Å
78Q93.7Very high91.8Very high19 Ų1969.3 Ų69.39%0.08935%0.347CS..Hα-helixtrans-84.7-33.9-177.6-70.1-169.555.700113.3D68 A73 S74 Y75 L100D68-Q78 PolarHBondContact O-NE2 3.44Å; D68-Q78 PolarHBondContact O-OE1 2.9Å; A73-Q78 HydrophobicContact CB-CG 3.77Å; A73-Q78 PolarHBondContact O-NE2 3.27Å; S74-Q78 WeakPolarHBondContact O-CB 3.4Å; S74-Q78 VanDerWaalsContact O-CG 3.31Å; S74-Q78 WeakPolarHBondContact O-CG 2.8Å; S74-Q78 PolarHBondContact O-N 3.43Å; Y75-Q78 PolarHBondContact O-N 3.23Å; Q78-L100 WeakPolarHBondContact O-CD1 3.4Å
79C93.9Very high91.6Very high0 Ų068.4 Ų68.40%035%0.353CS..Hα-helixtrans-102.2-10.5-173.8-72.90000113.9Y75 L100Y75-C79 HydrophobicContact CD2-CB 4.29Å; Y75-C79 HydrophobicContact CE1-CB 4.45Å; Y75-C79 HydrophobicContact CE2-CB 3.87Å; Y75-C79 WeakPolarHBondContact CE2-SG 3.48Å; Y75-C79 VanDerWaalsContact O-CB 3.32Å; Y75-C79 WeakPolarHBondContact O-CB 3.15Å; Y75-C79 PolarHBondContact O-N 3.19Å; C79-L100 PolarHBondContact O-N 3.05Å
80F96Very high91.4Very high0 Ų068.4 Ų68.40%037%0.369CS..EExtended strand (participates in β ladder)trans-127.7139.1178.8-59.9-99.6000111.9Y75 F76 R83 A97 E98 C99 Y106 V108 W147Y75-F80 AromaticContact CE1-CE2 3.93Å; Y75-F80 HydrophobicContact CE1-CE2 3.93Å; F76-F80 HydrophobicContact CD2-CB 4.14Å; F76-F80 AromaticContact CD2-CD2 3.56Å; F76-F80 HydrophobicContact CD2-CD2 3.56Å; F76-F80 HydrophobicContact CD2-CE2 4.11Å; F76-F80 AromaticContact CD2-CG 3.9Å; F76-F80 HydrophobicContact CD2-CG 3.9Å; F76-F80 HydrophobicContact CE2-CB 4.02Å; F76-F80 HydrophobicContact CE2-CD1 4.47Å; F76-F80 HydrophobicContact CE2-CD2 4.08Å; F76-F80 AromaticContact CE2-CG 3.94Å; F76-F80 HydrophobicContact CE2-CG 3.94Å; F76-F80 WeakPolarHBondContact O-CB 3.39Å; F76-F80 PolarHBondContact O-N 3.15Å; F80-R83 HydrophobicContact CB-CG 4.25Å; F80-R83 PolarHBondContact O-NH1 3.03Å; F80-A97 HydrophobicContact CB-CB 3.91Å; F80-A97 HydrophobicContact CD1-CB 3.8Å; F80-A97 HydrophobicContact CG-CB 4.18Å; F80-E98 CarbonylContact C-O 3.46Å; F80-E98 WeakPolarHBondContact CA-O 2.75Å; F80-C99 HydrophobicContact CD1-CB 4.05Å; F80-C99 HydrophobicContact CE1-CB 3.85Å; F80-Y106 HydrophobicContact CE1-CD2 4.44Å; F80-V108 HydrophobicContact CD1-CG2 4.32Å; F80-V108 HydrophobicContact CE1-CG2 3.96Å; F80-V108 HydrophobicContact CZ-CG2 4.27Å; F80-W147 AromaticContact CE2-CH2 3.95Å; F80-W147 HydrophobicContact CE2-CH2 3.95Å; F80-W147 HydrophobicContact CE2-CZ2 4.39Å; F80-W147 HydrophobicContact CZ-CH2 4.13Å
81I96Very high91.2Very high59 Ų5969.3 Ų69.330%0.30336%0.362SS..EExtended strand (participates in β ladder)trans-114.8175.8172.163.3172.9000110.4R83 E98 L100I81-R83 PolarHBondContact O-N 3.29Å; I81-R83 VanDerWaalsContact O-N 3.14Å; I81-E98 HydrophobicContact CD1-CG 4.49Å; I81-E98 HydrophobicContact CG1-CB 3.86Å; I81-E98 HydrophobicContact CG1-CG 4.12Å; I81-E98 PolarHBondContact N-O 3.28Å; I81-E98 PolarHBondContact O-N 3.35Å; I81-L100 HydrophobicContact CD1-CD2 3.86Å; I81-L100 HydrophobicContact CG1-CD2 4.04Å; I81-L100 HydrophobicContact CG2-CD1 4Å; I81-L100 HydrophobicContact CG2-CD2 3.77Å; I81-L100 HydrophobicContact CG2-CG 4.01Å
82N94.8Very high91.3Very high108 Ų10864.5 Ų64.558%0.57834%0.342SS*.EExtended strand (participates in β ladder)trans52.938.2177.4-61.7-34000113.6Q84 E98N82-Q84 VanDerWaalsContact C-N 3.33Å; N82-Q84 PolarHBondContact O-N 3.49Å; N82-E98 PolarHBondContact ND2-OE2 2.88Å
83R95.4Very high91.6Very high103 Ų10357.7 Ų57.739%0.38931%0.31SS..EExtended strand (participates in β ladder)trans-71.179.1-174-59.2172.1-62.3-1066.2111.4F76 E77 F80 I81 R96 A97F76-R83 HydrophobicContact CE1-CB 4.39Å; F76-R83 HydrophobicContact CE1-CG 4.14Å; F76-R83 HydrophobicContact CE2-CG 4.36Å; F76-R83 HydrophobicContact CZ-CB 4.2Å; F76-R83 HydrophobicContact CZ-CG 3.84Å; E77-R83 PolarHBondContact O-NH1 3.49Å; F80-R83 HydrophobicContact CB-CG 4.25Å; F80-R83 PolarHBondContact O-NH1 3.03Å; I81-R83 PolarHBondContact O-N 3.29Å; I81-R83 VanDerWaalsContact O-N 3.14Å; R83-R96 CarbonylContact C-O 3.56Å; R83-R96 WeakPolarHBondContact CA-O 3.4Å; R83-A97 HydrophobicContact CG-CB 4.18Å
84Q97Very high91.9Very high123 Ų12358 Ų5858%0.57531%0.308SS*.EExtended strand (participates in β ladder)trans-89.6125.3179-179.4-178.79.900110.2N82 I86 Y95 R96N82-Q84 VanDerWaalsContact C-N 3.33Å; N82-Q84 PolarHBondContact O-N 3.49Å; Q84-I86 HydrophobicContact CG-CG2 4.47Å; Q84-I86 PolarHBondContact O-N 3.46Å; Q84-Y95 CarbonylContact O-C 3.38Å; Q84-Y95 VanDerWaalsContact O-CA 3.24Å; Q84-Y95 WeakPolarHBondContact O-CA 3.38Å; Q84-R96 PolarHBondContact N-O 3.19Å; Q84-R96 PolarHBondContact O-N 3.42Å
85M96Very high92.2Very high94 Ų9459.3 Ų59.346%0.46331%0.312SS..EExtended strand (participates in β ladder)trans-67.8124.6171.5-167.717479.700109.5Y95M85-Y95 HydrophobicContact CB-CD1 4.07Å; M85-Y95 HydrophobicContact CB-CE1 3.92Å; M85-Y95 HydrophobicContact CG-CE1 4.32Å
86I94Very high92.5Very high88 Ų8864.3 Ų64.345%0.45133%0.331SS..EExtended strand (participates in β ladder)trans-115.2-11.5-179.459.2170.6000112.7Q84 V94 R96 L159Q84-I86 HydrophobicContact CG-CG2 4.47Å; Q84-I86 PolarHBondContact O-N 3.46Å; I86-V94 HydrophobicContact CD1-CG1 4.04Å; I86-V94 HydrophobicContact CG1-CB 4.28Å; I86-V94 HydrophobicContact CG1-CG1 3.93Å; I86-V94 WeakPolarHBondContact CG1-O 3.32Å; I86-V94 PolarHBondContact N-O 2.95Å; I86-R96 HydrophobicContact CD1-CB 4.3Å; I86-R96 HydrophobicContact CG2-CB 3.7Å; I86-L159 HydrophobicContact CD1-CD1 4Å
87G90.2Very high92.6Very high28 Ų2863.7 Ų63.729%0.28933%0.329SS..EExtended strand (participates in β ladder)trans-163.3153.5175.800000111.8V94G87-V94 PolarHBondContact N-O 3.43Å; G87-V94 PolarHBondContact O-N 3.02Å
88E90.7Very high92.8Very high134 Ų13461.4 Ų61.463%0.62632%0.318SS*.EExtended strand (participates in β ladder)trans-141.4133.6174.6-175.1-176.1168.500107.3
89G82.7Confident92.8Very high44 Ų4460.5 Ų60.545%0.45431%0.314SS..EExtended strand (participates in β ladder)trans-155-175.9178.800000112.1F91 G92G89-F91 PolarHBondContact O-N 2.94Å; G89-G92 PolarHBondContact N-O 3.18Å; G89-G92 PolarHBondContact O-N 3.3Å
90S79.5Confident92.8Very high108 Ų10863.2 Ų63.276%0.75533%0.328SS*.THydrogen-bonded Turntrans-58.1-24.8-179.254.80000113.8
91F79.6Confident92.4Very high110 Ų11064.8 Ų64.848%0.48234%0.336SS..THydrogen-bonded Turntrans-90.1-10.9-179.6-56.3-73000113.7G89G89-F91 PolarHBondContact O-N 2.94Å
92G88.7Confident92Very high4 Ų464.7 Ų64.74%0.04134%0.336CS..EExtended strand (participates in β ladder)trans134.7-163.6179.500000115.3G89 K110G89-G92 PolarHBondContact N-O 3.18Å; G89-G92 PolarHBondContact O-N 3.3Å; G92-K110 CarbonylContact C-O 3.49Å; G92-K110 VanDerWaalsContact CA-O 3.26Å; G92-K110 WeakPolarHBondContact CA-O 3.42Å
93E94.8Very high91.8Very high35 Ų3561.5 Ų61.516%0.16433%0.329CS..EExtended strand (participates in β ladder)trans-100.6137.7-176.6-59.6166.3138.500109.4Y95 K109 K110 M112E93-Y95 HydrophobicContact CB-CD2 4.41Å; E93-Y95 HydrophobicContact CB-CE2 3.57Å; E93-Y95 VanDerWaalsContact CD-OH 3.26Å; E93-Y95 PolarHBondContact OE2-OH 3.02Å; E93-K109 CarbonylContact O-C 3.51Å; E93-K109 WeakPolarHBondContact O-CA 3.44Å; E93-K110 PolarHBondContact N-O 3.41Å; E93-K110 PolarHBondContact O-N 3.23Å; E93-K110 IonicContact OE2-NZ 2.77Å; E93-K110 PolarHBondContact OE2-NZ 2.91Å; E93-M112 HydrophobicContact CG-SD 4.42Å
94V95.7Very high91.7Very high39 Ų3961.1 Ų61.124%0.23633%0.334CS..EExtended strand (participates in β ladder)trans-115.6127.7175.2-173.90000109.3I86 G87 A107 K109I86-V94 HydrophobicContact CD1-CG1 4.04Å; I86-V94 HydrophobicContact CG1-CB 4.28Å; I86-V94 HydrophobicContact CG1-CG1 3.93Å; I86-V94 WeakPolarHBondContact CG1-O 3.32Å; I86-V94 PolarHBondContact N-O 2.95Å; G87-V94 PolarHBondContact N-O 3.43Å; G87-V94 PolarHBondContact O-N 3.02Å; V94-A107 HydrophobicContact CG1-CB 4.38Å; V94-K109 HydrophobicContact CG2-CB 4.21Å; V94-K109 HydrophobicContact CG2-CG 4.08Å
95Y97.5Very high91.6Very high36 Ų3658.1 Ų58.114%0.14132%0.322CS..EExtended strand (participates in β ladder)trans-113.5135.5179.6-60.8-92.1000111F76 Q84 M85 E93 A107 V108 K110F76-Y95 HydrophobicContact CE1-CD2 4.13Å; F76-Y95 HydrophobicContact CE1-CG 4.21Å; F76-Y95 HydrophobicContact CZ-CD2 4.14Å; F76-Y95 AromaticContact CZ-CG 3.99Å; F76-Y95 HydrophobicContact CZ-CG 3.99Å; Q84-Y95 CarbonylContact O-C 3.38Å; Q84-Y95 VanDerWaalsContact O-CA 3.24Å; Q84-Y95 WeakPolarHBondContact O-CA 3.38Å; M85-Y95 HydrophobicContact CB-CD1 4.07Å; M85-Y95 HydrophobicContact CB-CE1 3.92Å; M85-Y95 HydrophobicContact CG-CE1 4.32Å; E93-Y95 HydrophobicContact CB-CD2 4.41Å; E93-Y95 HydrophobicContact CB-CE2 3.57Å; E93-Y95 VanDerWaalsContact CD-OH 3.26Å; E93-Y95 PolarHBondContact OE2-OH 3.02Å; Y95-A107 CarbonylContact O-C 3.57Å; Y95-A107 WeakPolarHBondContact O-CA 3.26Å; Y95-V108 PolarHBondContact N-O 3.47Å; Y95-V108 PolarHBondContact O-N 3.3Å; Y95-K110 HydrophobicContact CE2-CB 4.27Å; Y95-K110 HydrophobicContact CE2-CD 4.36Å
96R97.6Very high91.6Very high105 Ų10554.7 Ų54.740%0.39630%0.304SS..EExtended strand (participates in β ladder)trans-73.7125.5153171.7173.2-173.3146.72.2107.6R83 Q84 I86 N105 Y106 L159R83-R96 CarbonylContact C-O 3.56Å; R83-R96 WeakPolarHBondContact CA-O 3.4Å; Q84-R96 PolarHBondContact N-O 3.19Å; Q84-R96 PolarHBondContact O-N 3.42Å; I86-R96 HydrophobicContact CD1-CB 4.3Å; I86-R96 HydrophobicContact CG2-CB 3.7Å; R96-N105 PolarHBondContact NE-OD1 3.46Å; R96-Y106 WeakPolarHBondContact CA-O 3.4Å; R96-L159 HydrophobicContact CG-CD2 3.8Å
97A97.8Very high91.8Very high0 Ų051.1 Ų51.10%029%0.288CS..EExtended strand (participates in β ladder)trans-145.1138.4-178.100000111.2F76 F80 R83 Y106 V108F76-A97 HydrophobicContact CE2-CB 3.91Å; F76-A97 HydrophobicContact CZ-CB 4.15Å; F80-A97 HydrophobicContact CB-CB 3.91Å; F80-A97 HydrophobicContact CD1-CB 3.8Å; F80-A97 HydrophobicContact CG-CB 4.18Å; R83-A97 HydrophobicContact CG-CB 4.18Å; A97-Y106 PolarHBondContact N-O 3.36Å; A97-Y106 PolarHBondContact O-N 2.85Å; A97-V108 HydrophobicContact CB-CG2 4.31Å
98E96.9Very high92.1Very high52 Ų5249.8 Ų49.824%0.24327%0.274CS..EExtended strand (participates in β ladder)trans-91.7120.7176.9179.4-175.6159.900109.4F80 I81 N82 L104F80-E98 CarbonylContact C-O 3.46Å; F80-E98 WeakPolarHBondContact CA-O 2.75Å; I81-E98 HydrophobicContact CD1-CG 4.49Å; I81-E98 HydrophobicContact CG1-CB 3.86Å; I81-E98 HydrophobicContact CG1-CG 4.12Å; I81-E98 PolarHBondContact N-O 3.28Å; I81-E98 PolarHBondContact O-N 3.35Å; N82-E98 PolarHBondContact ND2-OE2 2.88Å; E98-L104 CarbonylContact C-O 3.59Å; E98-L104 WeakPolarHBondContact CA-O 3.43Å
99C93.8Very high92.3Very high1 Ų145.3 Ų45.31%0.00725%0.252CS..EExtended strand (participates in β ladder)trans-78124.7179.8174.30000110.2F80 D101 D102 G103 L104 Y106F80-C99 HydrophobicContact CD1-CB 4.05Å; F80-C99 HydrophobicContact CE1-CB 3.85Å; C99-D101 VanDerWaalsContact C-N 3.27Å; C99-D101 PolarHBondContact O-N 3.46Å; C99-D102 VanDerWaalsContact CB-OD1 3.29Å; C99-D102 WeakPolarHBondContact CB-OD1 3.12Å; C99-D102 PolarHBondContact SG-OD1 3.12Å; C99-G103 WeakPolarHBondContact O-CA 3.22Å; C99-G103 PolarHBondContact O-N 3.27Å; C99-L104 PolarHBondContact N-O 2.95Å; C99-Y106 HydrophobicContact CB-CD2 3.6Å; C99-Y106 HydrophobicContact CB-CE2 3.59Å
100L93.4Very high92.8Very high57 Ų5745.1 Ų45.130%0.29824%0.239SC..THydrogen-bonded Turntrans-70.2-23.7-179.8-70.4175.5000113.2H66 Q78 C79 I81 D102H66-L100 HydrophobicContact CB-CB 4.47Å; H66-L100 HydrophobicContact CB-CD1 4.48Å; H66-L100 PolarHBondContact NE2-O 2.98Å; Q78-L100 WeakPolarHBondContact O-CD1 3.4Å; C79-L100 PolarHBondContact O-N 3.05Å; I81-L100 HydrophobicContact CD1-CD2 3.86Å; I81-L100 HydrophobicContact CG1-CD2 4.04Å; I81-L100 HydrophobicContact CG2-CD1 4Å; I81-L100 HydrophobicContact CG2-CD2 3.77Å; I81-L100 HydrophobicContact CG2-CG 4.01Å; L100-D102 VanDerWaalsContact C-N 3.35Å; L100-D102 PolarHBondContact O-N 3.39Å
101D87.9Confident93.4Very high32 Ų3240.5 Ų40.517%0.17121%0.207CC..THydrogen-bonded Turntrans-68.9-32-178.4-64.3-37.5000112.3T65 H66 C99T65-D101 PolarHBondContact N-OD1 3.23Å; H66-D101 IonicContact CD2-OD1 3.48Å; H66-D101 PolarHBondContact CD2-OD1 2.95Å; C99-D101 VanDerWaalsContact C-N 3.27Å; C99-D101 PolarHBondContact O-N 3.46Å
102D88.1Confident93.6Very high57 Ų5739.8 Ų39.831%0.30521%0.206SC..THydrogen-bonded Turntrans-132.4-4.5-176.558.318.5000115.1L62 C99 L100 L104 Y106L62-D102 HydrophobicContact CD1-CB 4.06Å; C99-D102 VanDerWaalsContact CB-OD1 3.29Å; C99-D102 WeakPolarHBondContact CB-OD1 3.12Å; C99-D102 PolarHBondContact SG-OD1 3.12Å; L100-D102 VanDerWaalsContact C-N 3.35Å; L100-D102 PolarHBondContact O-N 3.39Å; D102-L104 HydrophobicContact CB-CG 4.35Å; D102-L104 PolarHBondContact O-N 2.93Å; D102-L104 WeakPolarHBondContact OD1-CB 3.41Å; D102-L104 PolarHBondContact OD1-N 2.65Å; D102-Y106 PolarHBondContact OD2-OH 2.92Å
103G90.3Very high93.4Very high41 Ų4144.4 Ų44.442%0.42323%0.226SC..  trans70.712.9-178.600000114.4C99C99-G103 WeakPolarHBondContact O-CA 3.22Å; C99-G103 PolarHBondContact O-N 3.27Å
104L92.7Very high92.9Very high95 Ų9547 Ų4750%0.49724%0.241SC..  trans-95.2149.9-176.7-61179.9000112.2E98 C99 D102 Y106E98-L104 CarbonylContact C-O 3.59Å; E98-L104 WeakPolarHBondContact CA-O 3.43Å; C99-L104 PolarHBondContact N-O 2.95Å; D102-L104 HydrophobicContact CB-CG 4.35Å; D102-L104 PolarHBondContact O-N 2.93Å; D102-L104 WeakPolarHBondContact OD1-CB 3.41Å; D102-L104 PolarHBondContact OD1-N 2.65Å; L104-Y106 HydrophobicContact CB-CD2 4.48Å; L104-Y106 HydrophobicContact CB-CE2 3.74Å; L104-Y106 WeakPolarHBondContact O-CD2 3.44Å
105N95.2Very high92.2Very high60 Ų6046.7 Ų46.732%0.32124%0.237SC..EExtended strand (participates in β ladder)trans-83.8135.3173.5-76.5-83.6000111.2R96 L159R96-N105 PolarHBondContact NE-OD1 3.46Å; N105-L159 HydrophobicContact CB-CD2 3.81Å
106Y96.8Very high91.5Very high23 Ų2351.6 Ų51.69%0.0926%0.258CS..EExtended strand (participates in β ladder)trans-131.6159.3179.5-67.6-72.1000111.8F80 R96 A97 C99 D102 L104 I144 Q156 T157F80-Y106 HydrophobicContact CE1-CD2 4.44Å; R96-Y106 WeakPolarHBondContact CA-O 3.4Å; A97-Y106 PolarHBondContact N-O 3.36Å; A97-Y106 PolarHBondContact O-N 2.85Å; C99-Y106 HydrophobicContact CB-CD2 3.6Å; C99-Y106 HydrophobicContact CB-CE2 3.59Å; D102-Y106 PolarHBondContact OD2-OH 2.92Å; L104-Y106 HydrophobicContact CB-CD2 4.48Å; L104-Y106 HydrophobicContact CB-CE2 3.74Å; L104-Y106 WeakPolarHBondContact O-CD2 3.44Å; Y106-I144 HydrophobicContact CD1-CD1 4.4Å; Y106-I144 HydrophobicContact CD1-CG1 3.86Å; Y106-I144 HydrophobicContact CE1-CD1 3.76Å; Y106-I144 HydrophobicContact CE1-CG1 3.66Å; Y106-Q156 HydrophobicContact CD1-CG 4.22Å; Y106-Q156 VanDerWaalsContact CE2-NE2 3.31Å; Y106-Q156 HydrophobicContact CG-CG 4.01Å; Y106-T157 WeakPolarHBondContact CD1-O 3.47Å
107A97.1Very high90.7Very high12 Ų1251 Ų5110%0.09926%0.264CS..EExtended strand (participates in β ladder)trans-92.5126.6162.800000108.3V94 Y95 Q156 T157 L159V94-A107 HydrophobicContact CG1-CB 4.38Å; Y95-A107 CarbonylContact O-C 3.57Å; Y95-A107 WeakPolarHBondContact O-CA 3.26Å; A107-Q156 WeakPolarHBondContact O-CA 3.43Å; A107-T157 PolarHBondContact N-O 3.5Å; A107-T157 PolarHBondContact O-N 2.98Å; A107-L159 HydrophobicContact CB-CD1 4.09Å
108V96.9Very high89.9Confident0 Ų053.3 Ų53.30%029%0.287CS..EExtended strand (participates in β ladder)trans-119.9108.9176.5-178.70000108.7F76 F80 Y95 A97 W147 Y154 I155 Q156F76-V108 HydrophobicContact CD2-CB 4.43Å; F76-V108 HydrophobicContact CD2-CG1 3.89Å; F76-V108 HydrophobicContact CD2-CG2 4.48Å; F76-V108 HydrophobicContact CE2-CB 3.69Å; F76-V108 HydrophobicContact CE2-CG1 3.6Å; F76-V108 HydrophobicContact CE2-CG2 3.83Å; F76-V108 HydrophobicContact CZ-CB 4.2Å; F76-V108 HydrophobicContact CZ-CG1 4.2Å; F80-V108 HydrophobicContact CD1-CG2 4.32Å; F80-V108 HydrophobicContact CE1-CG2 3.96Å; F80-V108 HydrophobicContact CZ-CG2 4.27Å; Y95-V108 PolarHBondContact N-O 3.47Å; Y95-V108 PolarHBondContact O-N 3.3Å; A97-V108 HydrophobicContact CB-CG2 4.31Å; V108-W147 HydrophobicContact CG1-CH2 3.73Å; V108-W147 HydrophobicContact CG1-CZ2 4.18Å; V108-Y154 HydrophobicContact CG1-CD1 4.01Å; V108-I155 CarbonylContact C-O 3.51Å; V108-I155 WeakPolarHBondContact CA-O 3.45Å; V108-Q156 HydrophobicContact CG2-CB 4.34Å; V108-Q156 HydrophobicContact CG2-CG 4.22Å
109K95Very high89.1Confident40 Ų4056.2 Ų56.217%0.17430%0.304CS..EExtended strand (participates in β ladder)trans-86.8124.2174.3-175.6173.5-177.9178.90108.6E93 V94 Y154 I155 D220E93-K109 CarbonylContact O-C 3.51Å; E93-K109 WeakPolarHBondContact O-CA 3.44Å; V94-K109 HydrophobicContact CG2-CB 4.21Å; V94-K109 HydrophobicContact CG2-CG 4.08Å; K109-Y154 CarbonylContact O-C 3.55Å; K109-Y154 VanDerWaalsContact O-CA 3.23Å; K109-Y154 WeakPolarHBondContact O-CA 3.37Å; K109-I155 HydrophobicContact CB-CB 4.49Å; K109-I155 PolarHBondContact N-O 3Å; K109-I155 PolarHBondContact O-N 3.41Å; K109-D220 IonicContact NZ-OD1 2.64Å; K109-D220 PolarHBondContact NZ-OD1 3.27Å; K109-D220 IonicContact NZ-OD2 2.72Å; K109-D220 PolarHBondContact NZ-OD2 2.99Å
110K94.6Very high88.5Confident41 Ų4158 Ų5818%0.17831%0.313CS..EExtended strand (participates in β ladder)trans-112.4126.1175.4172.9-175.3161.9-135.70108.6G92 E93 Y95 F153 Y154G92-K110 CarbonylContact C-O 3.49Å; G92-K110 VanDerWaalsContact CA-O 3.26Å; G92-K110 WeakPolarHBondContact CA-O 3.42Å; E93-K110 PolarHBondContact N-O 3.41Å; E93-K110 PolarHBondContact O-N 3.23Å; E93-K110 IonicContact OE2-NZ 2.77Å; E93-K110 PolarHBondContact OE2-NZ 2.91Å; Y95-K110 HydrophobicContact CE2-CB 4.27Å; Y95-K110 HydrophobicContact CE2-CD 4.36Å; K110-F153 WeakPolarHBondContact CA-O 3.4Å; K110-Y154 HydrophobicContact CB-CD1 3.88Å; K110-Y154 HydrophobicContact CB-CE1 3.65Å; K110-Y154 HydrophobicContact CD-CE1 3.72Å; K110-Y154 WeakPolarHBondContact CD-OH 3.37Å; K110-Y154 HydrophobicContact CG-CD1 4.17Å; K110-Y154 HydrophobicContact CG-CE1 3.54Å; K110-Y154 HydrophobicContact CG-CE2 4.49Å
111S91.2Very high88.1Confident10 Ų1058 Ų587%0.0731%0.31CS..  trans-63.1142.617964.40000112.3E113 Y152 F153S111-E113 PolarHBondContact OG-O 2.78Å; S111-Y152 VanDerWaalsContact O-CD1 3.23Å; S111-Y152 WeakPolarHBondContact O-CD1 3.34Å; S111-F153 PolarHBondContact N-O 3.38Å; S111-F153 PolarHBondContact OG-N 3.32Å
112M84.1Confident87.9Confident96 Ų9662.7 Ų62.747%0.47333%0.328SS..SBendtrans-66.3-42.6178.9-160.371.4-168.600112.9E93E93-M112 HydrophobicContact CG-SD 4.42Å
113E84.2Confident87.5Confident100 Ų10063 Ų6347%0.46733%0.327SS..SBendtrans-107145.4-174.4-64177.4141.400111.1S111 K116S111-E113 PolarHBondContact OG-O 2.78Å; E113-K116 VanDerWaalsContact CD-CE 3.4Å; E113-K116 VanDerWaalsContact CD-NZ 3.29Å; E113-K116 WeakPolarHBondContact OE1-CE 3.47Å; E113-K116 IonicContact OE1-NZ 2.83Å; E113-K116 PolarHBondContact OE1-NZ 3.36Å; E113-K116 VanDerWaalsContact OE1-NZ 3.11Å; E113-K116 WeakPolarHBondContact OE2-CE 3.2Å; E113-K116 IonicContact OE2-NZ 3.29Å; E113-K116 PolarHBondContact OE2-NZ 3.48Å
114L85.1Confident87.2Confident89 Ų8962.5 Ų62.547%0.46631%0.313SS..  trans-56.5154.2164.4-62.9169.7000110K116 N150 G151 Y152L114-K116 PolarHBondContact O-N 3.38Å; L114-N150 WeakPolarHBondContact CD2-O 3.5Å; L114-G151 WeakPolarHBondContact CA-O 3.24Å; L114-Y152 HydrophobicContact CD2-CD1 4.27Å; L114-Y152 HydrophobicContact CD2-CD2 3.91Å; L114-Y152 HydrophobicContact CD2-CE1 4.05Å; L114-Y152 HydrophobicContact CD2-CE2 3.66Å; L114-Y152 HydrophobicContact CD2-CG 4.22Å; L114-Y152 HydrophobicContact CG-CE1 4.32Å
115F80.4Confident86.8Confident34 Ų3458.7 Ų58.715%0.14929%0.293CS..  trans-54.1114.9169.4-67.9-70.4000110.9N117 D120 R121 K124 E148 G151 F153F115-N117 PolarHBondContact O-N 2.88Å; F115-D120 WeakPolarHBondContact CA-OD2 3.32Å; F115-R121 HydrophobicContact CB-CB 4.37Å; F115-R121 HydrophobicContact CD1-CB 3.58Å; F115-R121 HydrophobicContact CD1-CG 3.82Å; F115-R121 HydrophobicContact CE1-CB 3.98Å; F115-R121 HydrophobicContact CE1-CG 3.79Å; F115-R121 HydrophobicContact CG-CB 4.04Å; F115-R121 HydrophobicContact CG-CG 4.16Å; F115-R121 HydrophobicContact CZ-CG 4.17Å; F115-K124 HydrophobicContact CD1-CD 3.77Å; F115-K124 HydrophobicContact CE1-CB 3.99Å; F115-K124 HydrophobicContact CE1-CD 3.38Å; F115-K124 HydrophobicContact CE1-CG 4.29Å; F115-K124 HydrophobicContact CZ-CD 4.35Å; F115-E148 HydrophobicContact CD2-CG 4.45Å; F115-E148 HydrophobicContact CE2-CB 4.15Å; F115-E148 HydrophobicContact CE2-CG 3.74Å; F115-G151 WeakPolarHBondContact CD2-O 3.42Å; F115-G151 PolarHBondContact N-O 3.37Å; F115-F153 HydrophobicContact CE1-CB 4.26Å; F115-F153 HydrophobicContact CE2-CB 4.31Å; F115-F153 HydrophobicContact CZ-CB 3.67Å; F115-F153 AromaticContact CZ-CD2 3.79Å; F115-F153 HydrophobicContact CZ-CD2 3.79Å; F115-F153 AromaticContact CZ-CG 4Å; F115-F153 HydrophobicContact CZ-CG 4Å
116K81.6Confident86.3Confident138 Ų13859.3 Ų59.360%0.629%0.291SS*.  trans-66.4-40.4-176.9-68.6-179.7176.11640112E113 L114 D120E113-K116 VanDerWaalsContact CD-CE 3.4Å; E113-K116 VanDerWaalsContact CD-NZ 3.29Å; E113-K116 WeakPolarHBondContact OE1-CE 3.47Å; E113-K116 IonicContact OE1-NZ 2.83Å; E113-K116 PolarHBondContact OE1-NZ 3.36Å; E113-K116 VanDerWaalsContact OE1-NZ 3.11Å; E113-K116 WeakPolarHBondContact OE2-CE 3.2Å; E113-K116 IonicContact OE2-NZ 3.29Å; E113-K116 PolarHBondContact OE2-NZ 3.48Å; L114-K116 PolarHBondContact O-N 3.38Å; K116-D120 HydrophobicContact CB-CB 4.22Å; K116-D120 PolarHBondContact N-OD2 3.45Å
117N81.9Confident85.7Confident94 Ų9459.3 Ų59.350%0.50329%0.292SS..SBendtrans-161.4178.7-179.957.547.7000110.4F115 N119 D120 R121F115-N117 PolarHBondContact O-N 2.88Å; N117-N119 PolarHBondContact O-N 3.26Å; N117-N119 WeakPolarHBondContact OD1-CA 3.09Å; N117-N119 WeakPolarHBondContact OD1-CB 3.26Å; N117-N119 PolarHBondContact OD1-N 3.05Å; N117-D120 PolarHBondContact O-N 2.75Å; N117-D120 PolarHBondContact OD1-N 3.31Å; N117-R121 PolarHBondContact O-N 3.08Å
118G80.6Confident85.3Confident47 Ų4758.9 Ų58.949%0.48529%0.288SS..Hα-helixtrans-61.3-25.6178.700000114.6K122G118-K122 VanDerWaalsContact O-CG 3.28Å; G118-K122 WeakPolarHBondContact O-CG 3.34Å; G118-K122 PolarHBondContact O-N 2.83Å
119N80.1Confident84.8Confident114 Ų11462.9 Ų62.961%0.6131%0.307SS*.Hα-helixtrans-78.9-43.5177.9-75.1-3.8000111.9N117 R121 K122 F123N117-N119 PolarHBondContact O-N 3.26Å; N117-N119 WeakPolarHBondContact OD1-CA 3.09Å; N117-N119 WeakPolarHBondContact OD1-CB 3.26Å; N117-N119 PolarHBondContact OD1-N 3.05Å; N119-R121 PolarHBondContact O-N 3.19Å; N119-K122 PolarHBondContact O-N 2.94Å; N119-F123 PolarHBondContact O-N 3.01Å
120D81.9Confident84.5Confident37 Ų3762.6 Ų62.620%0.19831%0.305CS..Hα-helixtrans-56-44.1171177.155.6000110.3F115 K116 N117 F123 K124F115-D120 WeakPolarHBondContact CA-OD2 3.32Å; K116-D120 HydrophobicContact CB-CB 4.22Å; K116-D120 PolarHBondContact N-OD2 3.45Å; N117-D120 PolarHBondContact O-N 2.75Å; N117-D120 PolarHBondContact OD1-N 3.31Å; D120-F123 PolarHBondContact O-N 3.06Å; D120-K124 PolarHBondContact O-N 3.05Å; D120-K124 VanDerWaalsContact O-N 3.09Å; D120-K124 IonicContact OD1-NZ 2.83Å; D120-K124 IonicContact OD2-NZ 3.64Å; D120-K124 PolarHBondContact OD2-NZ 2.93Å
121R83.8Confident84.2Confident59 Ų5961.2 Ų61.222%0.22330%0.299CS..Hα-helixtrans-56.7-55.7173.1-170.9175.6-179.7-76.7-8.4111.6F115 N117 N119 F123 K124 L125 E148F115-R121 HydrophobicContact CB-CB 4.37Å; F115-R121 HydrophobicContact CD1-CB 3.58Å; F115-R121 HydrophobicContact CD1-CG 3.82Å; F115-R121 HydrophobicContact CE1-CB 3.98Å; F115-R121 HydrophobicContact CE1-CG 3.79Å; F115-R121 HydrophobicContact CG-CB 4.04Å; F115-R121 HydrophobicContact CG-CG 4.16Å; F115-R121 HydrophobicContact CZ-CG 4.17Å; N117-R121 PolarHBondContact O-N 3.08Å; N119-R121 PolarHBondContact O-N 3.19Å; R121-F123 PolarHBondContact O-N 3.34Å; R121-K124 PolarHBondContact O-N 3.25Å; R121-L125 HydrophobicContact CG-CG 4.48Å; R121-L125 VanDerWaalsContact O-CG 3.26Å; R121-L125 WeakPolarHBondContact O-CG 3.41Å; R121-L125 PolarHBondContact O-N 2.8Å; R121-E148 IonicContact CZ-OE2 2.77Å; R121-E148 IonicContact NE-OE2 3.94Å; R121-E148 PolarHBondContact NE-OE2 3.26Å; R121-E148 IonicContact NH2-OE2 3.41Å; R121-E148 PolarHBondContact NH2-OE2 2.94Å
122K83.7Confident84Confident130 Ų13063.6 Ų63.657%0.56531%0.309SS*.Hα-helixtrans-56.9-34.1178.1-75.5172.4-178.3179.90113.3G118 N119 R126G118-K122 VanDerWaalsContact O-CG 3.28Å; G118-K122 WeakPolarHBondContact O-CG 3.34Å; G118-K122 PolarHBondContact O-N 2.83Å; N119-K122 PolarHBondContact O-N 2.94Å; K122-R126 WeakPolarHBondContact O-CG 3.49Å; K122-R126 PolarHBondContact O-N 3.39Å; K122-R126 PolarHBondContact O-NE 2.84Å
123F81.2Confident84.2Confident64 Ų6462 Ų6228%0.28131%0.312SS..Hα-helixtrans-65.5-53.4177.1-175.9-92.2000111.5N119 D120 R121 L125 R126 E127N119-F123 PolarHBondContact O-N 3.01Å; D120-F123 PolarHBondContact O-N 3.06Å; R121-F123 PolarHBondContact O-N 3.34Å; F123-L125 PolarHBondContact O-N 3.33Å; F123-R126 PolarHBondContact O-N 3.18Å; F123-R126 VanDerWaalsContact O-N 3.13Å; F123-E127 PolarHBondContact O-N 3.42Å
124K84Confident84.5Confident30 Ų3058 Ų5813%0.1329%0.293CS..Hα-helixtrans-58.9-31.8175.8-72.4169.2175.9164.60112.9F115 D120 R121 E127 F153F115-K124 HydrophobicContact CD1-CD 3.77Å; F115-K124 HydrophobicContact CE1-CB 3.99Å; F115-K124 HydrophobicContact CE1-CD 3.38Å; F115-K124 HydrophobicContact CE1-CG 4.29Å; F115-K124 HydrophobicContact CZ-CD 4.35Å; D120-K124 PolarHBondContact O-N 3.05Å; D120-K124 VanDerWaalsContact O-N 3.09Å; D120-K124 IonicContact OD1-NZ 2.83Å; D120-K124 IonicContact OD2-NZ 3.64Å; D120-K124 PolarHBondContact OD2-NZ 2.93Å; R121-K124 PolarHBondContact O-N 3.25Å; K124-E127 WeakPolarHBondContact O-CB 3.49Å; K124-F153 HydrophobicContact CB-CD1 4.05Å; K124-F153 HydrophobicContact CB-CE1 3.99Å; K124-F153 HydrophobicContact CB-CG 4.46Å; K124-F153 HydrophobicContact CB-CZ 4.38Å; K124-F153 HydrophobicContact CD-CB 4.4Å; K124-F153 HydrophobicContact CG-CD1 4.46Å; K124-F153 WeakPolarHBondContact O-CE1 3.38Å; K124-F153 WeakPolarHBondContact O-CZ 3.4Å
125L83.9Confident84.8Confident14 Ų1456.4 Ų56.47%0.07329%0.288CS..Hα-helixtrans-71.8-36.5177-62.1-162.8000113.5W35 R121 F123 E127 V128 E129 F153W35-L125 HydrophobicContact CH2-CD2 3.74Å; W35-L125 HydrophobicContact CZ2-CD1 3.48Å; W35-L125 VanDerWaalsContact CZ2-CD1 3.48Å; W35-L125 HydrophobicContact CZ2-CD2 3.15Å; W35-L125 HydrophobicContact CZ2-CG 3.85Å; R121-L125 HydrophobicContact CG-CG 4.48Å; R121-L125 VanDerWaalsContact O-CG 3.26Å; R121-L125 WeakPolarHBondContact O-CG 3.41Å; R121-L125 PolarHBondContact O-N 2.8Å; F123-L125 PolarHBondContact O-N 3.33Å; L125-E127 PolarHBondContact O-N 2.83Å; L125-V128 PolarHBondContact O-N 2.99Å; L125-V128 VanDerWaalsContact O-N 3.13Å; L125-E129 WeakPolarHBondContact O-CG 3.35Å; L125-E129 PolarHBondContact O-N 2.69Å; L125-F153 HydrophobicContact CD2-CD2 4.47Å; L125-F153 HydrophobicContact CD2-CE2 3.71Å; L125-F153 HydrophobicContact CD2-CZ 4.17Å
126R83.6Confident85.3Confident73 Ų7361 Ų6128%0.27532%0.321SS..Hα-helixtrans-64.5-32178-77.2177.8-69.3168.4-0.8112.2K122 F123 V128 E129 K130 D233K122-R126 WeakPolarHBondContact O-CG 3.49Å; K122-R126 PolarHBondContact O-N 3.39Å; K122-R126 PolarHBondContact O-NE 2.84Å; F123-R126 PolarHBondContact O-N 3.18Å; F123-R126 VanDerWaalsContact O-N 3.13Å; R126-V128 VanDerWaalsContact C-N 3.33Å; R126-V128 PolarHBondContact O-N 3.45Å; R126-E129 PolarHBondContact O-N 2.64Å; R126-K130 VanDerWaalsContact C-CE 3.49Å; R126-K130 WeakPolarHBondContact O-CB 3.46Å; R126-K130 WeakPolarHBondContact O-CE 3.37Å; R126-K130 VanDerWaalsContact O-CG 3.25Å; R126-K130 WeakPolarHBondContact O-CG 3.41Å; R126-K130 PolarHBondContact O-N 2.83Å; R126-D233 IonicContact CZ-OD1 3.99Å; R126-D233 IonicContact CZ-OD2 3.98Å; R126-D233 IonicContact NH1-OD1 3.73Å; R126-D233 PolarHBondContact NH1-OD1 3.38Å; R126-D233 IonicContact NH1-OD2 3.44Å; R126-D233 PolarHBondContact NH1-OD2 3.16Å
127E85.2Confident85.9Confident24 Ų2456.4 Ų56.411%0.11230%0.302CS..Hα-helixtrans-52.4-52.7169.9172.4-177.5175.200110.7F123 K124 L125 K130 Y131 I155 G222F123-E127 PolarHBondContact O-N 3.42Å; K124-E127 WeakPolarHBondContact O-CB 3.49Å; L125-E127 PolarHBondContact O-N 2.83Å; E127-K130 PolarHBondContact O-N 3.33Å; E127-Y131 WeakPolarHBondContact O-CB 3.28Å; E127-Y131 PolarHBondContact O-N 2.97Å; E127-I155 WeakPolarHBondContact OE1-CD1 3.41Å; E127-G222 VanDerWaalsContact CD-CA 3.44Å
128V87.5Confident86.5Confident2 Ų253.6 Ų53.61%0.01229%0.289CS..Hα-helixtrans-68.1-41.5-179.1175.30000112L28 L125 R126 K130 Y131 E132 F143 A146 F153 I155L28-V128 HydrophobicContact CD2-CB 4.26Å; L28-V128 HydrophobicContact CD2-CG1 3.43Å; L28-V128 VanDerWaalsContact CD2-CG1 3.43Å; L125-V128 PolarHBondContact O-N 2.99Å; L125-V128 VanDerWaalsContact O-N 3.13Å; R126-V128 VanDerWaalsContact C-N 3.33Å; R126-V128 PolarHBondContact O-N 3.45Å; V128-K130 VanDerWaalsContact C-N 3.31Å; V128-K130 PolarHBondContact O-N 2.99Å; V128-Y131 PolarHBondContact O-N 3.46Å; V128-Y131 VanDerWaalsContact O-N 3.15Å; V128-E132 HydrophobicContact CG1-CG 4.06Å; V128-E132 WeakPolarHBondContact O-CB 3.44Å; V128-E132 PolarHBondContact O-N 2.7Å; V128-F143 HydrophobicContact CG1-CE1 4.4Å; V128-F143 HydrophobicContact CG1-CE2 3.94Å; V128-F143 HydrophobicContact CG1-CZ 3.55Å; V128-F143 HydrophobicContact CG2-CE2 4.35Å; V128-A146 HydrophobicContact CB-CB 4.41Å; V128-A146 HydrophobicContact CG1-CB 3.92Å; V128-A146 HydrophobicContact CG2-CB 3.63Å; V128-F153 HydrophobicContact CB-CZ 4.49Å; V128-F153 HydrophobicContact CG2-CE1 4.03Å; V128-F153 HydrophobicContact CG2-CE2 4.44Å; V128-F153 HydrophobicContact CG2-CZ 3.44Å; V128-F153 VanDerWaalsContact CG2-CZ 3.44Å; V128-I155 HydrophobicContact CG2-CD1 4.21Å; V128-I155 HydrophobicContact CG2-CG1 4.24Å
129E87.6Confident87.3Confident84 Ų8451.6 Ų51.639%0.39327%0.267SS..Hα-helixtrans-58.8-43.1177.5-71173.417100111.8L125 R126 A133L125-E129 WeakPolarHBondContact O-CG 3.35Å; L125-E129 PolarHBondContact O-N 2.69Å; R126-E129 PolarHBondContact O-N 2.64Å; E129-A133 WeakPolarHBondContact O-CB 3.27Å; E129-A133 PolarHBondContact O-N 3.13Å; E129-A133 VanDerWaalsContact O-N 3.13Å
130K88.4Confident88.1Confident35 Ų3546.5 Ų46.515%0.15224%0.24CC..Hα-helixtrans-66.9-40176.5-66.6173.2-76.4-179.70111.2R126 E127 V128 A133 Y198 M224R126-K130 VanDerWaalsContact C-CE 3.49Å; R126-K130 WeakPolarHBondContact O-CB 3.46Å; R126-K130 WeakPolarHBondContact O-CE 3.37Å; R126-K130 VanDerWaalsContact O-CG 3.25Å; R126-K130 WeakPolarHBondContact O-CG 3.41Å; R126-K130 PolarHBondContact O-N 2.83Å; E127-K130 PolarHBondContact O-N 3.33Å; V128-K130 VanDerWaalsContact C-N 3.31Å; V128-K130 PolarHBondContact O-N 2.99Å; K130-A133 PolarHBondContact O-N 2.88Å; K130-Y198 HydrophobicContact CB-CE1 4.28Å; K130-Y198 HydrophobicContact CD-CE1 4.36Å; K130-Y198 HydrophobicContact CG-CE1 4.11Å; K130-M224 HydrophobicContact CB-CE 3.39Å; K130-M224 WeakPolarHBondContact CE-O 3.46Å; K130-M224 PolarHBondContact NZ-O 3.31Å
131Y88.7Confident88.8Confident12 Ų1245.1 Ų45.15%0.04723%0.232CC..Hα-helixtrans-69-43.2-179.9-163.1177.9000112.1E127 V128 A133 L134 I140 V141 F143 T157 F221E127-Y131 WeakPolarHBondContact O-CB 3.28Å; E127-Y131 PolarHBondContact O-N 2.97Å; V128-Y131 PolarHBondContact O-N 3.46Å; V128-Y131 VanDerWaalsContact O-N 3.15Å; Y131-A133 VanDerWaalsContact C-N 3.28Å; Y131-A133 PolarHBondContact O-N 2.88Å; Y131-L134 HydrophobicContact CD2-CD1 4.35Å; Y131-L134 WeakPolarHBondContact O-CB 3.18Å; Y131-L134 PolarHBondContact O-N 3.05Å; Y131-L134 VanDerWaalsContact O-N 3.16Å; Y131-I140 HydrophobicContact CE2-CG2 4.29Å; Y131-V141 WeakPolarHBondContact CE2-O 3.45Å; Y131-V141 VanDerWaalsContact OH-C 3.31Å; Y131-V141 PolarHBondContact OH-O 3.24Å; Y131-F143 HydrophobicContact CD1-CB 4.13Å; Y131-F143 AromaticContact CD1-CD2 3.67Å; Y131-F143 HydrophobicContact CD1-CD2 3.67Å; Y131-F143 HydrophobicContact CD1-CG 4.23Å; Y131-F143 HydrophobicContact CD2-CB 3.98Å; Y131-F143 HydrophobicContact CE1-CB 3.94Å; Y131-F143 AromaticContact CE1-CD2 3.87Å; Y131-F143 HydrophobicContact CE1-CD2 3.87Å; Y131-F143 HydrophobicContact CE1-CG 4.37Å; Y131-F143 HydrophobicContact CE2-CB 3.78Å; Y131-F143 HydrophobicContact CG-CB 4.14Å; Y131-F143 HydrophobicContact CG-CD2 4.19Å; Y131-F143 HydrophobicContact CG-CG 4.37Å; Y131-T157 HydrophobicContact CE1-CG2 4.2Å; Y131-F221 HydrophobicContact CD1-CB 4.33Å; Y131-F221 AromaticContact CD1-CD2 3.83Å; Y131-F221 HydrophobicContact CD1-CD2 3.83Å; Y131-F221 HydrophobicContact CD1-CG 4.43Å; Y131-F221 AromaticContact CD2-CD2 3.74Å; Y131-F221 HydrophobicContact CD2-CD2 3.74Å; Y131-F221 HydrophobicContact CD2-CE2 4.1Å; Y131-F221 HydrophobicContact CD2-CG 4.26Å; Y131-F221 AromaticContact CE1-CD2 3.5Å; Y131-F221 HydrophobicContact CE1-CD2 3.5Å; Y131-F221 HydrophobicContact CE1-CE2 4.09Å; Y131-F221 HydrophobicContact CE1-CG 4.5Å; Y131-F221 AromaticContact CE2-CD2 3.41Å; Y131-F221 HydrophobicContact CE2-CD2 3.41Å; Y131-F221 VanDerWaalsContact CE2-CD2 3.41Å; Y131-F221 AromaticContact CE2-CE2 3.39Å; Y131-F221 HydrophobicContact CE2-CE2 3.39Å; Y131-F221 HydrophobicContact CE2-CG 4.33Å; Y131-F221 HydrophobicContact CE2-CZ 4.31Å; Y131-F221 HydrophobicContact CG-CB 4.34Å; Y131-F221 AromaticContact CG-CD2 3.95Å; Y131-F221 HydrophobicContact CG-CD2 3.95Å; Y131-F221 HydrophobicContact CG-CG 4.32Å; Y131-F221 AromaticContact CZ-CD2 3.28Å; Y131-F221 AromaticContact CZ-CE2 3.39Å; Y131-F221 WeakPolarHBondContact OH-CE2 3.34Å
132E87.3Confident89.3Confident59 Ų5948.2 Ų48.228%0.27625%0.248SC..Hα-helixtrans-64.4-31.2175-77.8-172.5165.300112.9L28 V128 L134 F143L28-E132 VanDerWaalsContact CD2-OE2 3.26Å; L28-E132 WeakPolarHBondContact CD2-OE2 3.36Å; V128-E132 HydrophobicContact CG1-CG 4.06Å; V128-E132 WeakPolarHBondContact O-CB 3.44Å; V128-E132 PolarHBondContact O-N 2.7Å; E132-L134 PolarHBondContact O-N 2.85Å; E132-F143 HydrophobicContact CG-CD1 3.72Å; E132-F143 HydrophobicContact CG-CE1 3.33Å; E132-F143 HydrophobicContact CG-CZ 3.96Å; E132-F143 VanDerWaalsContact OE1-CE1 3.23Å; E132-F143 WeakPolarHBondContact OE1-CE1 3.46Å
133A87.7Confident89.7Confident64 Ų6443.5 Ų43.553%0.52923%0.227SC..THydrogen-bonded Turntrans-69.8-14.9176.400000113.3E129 K130 Y131 P135E129-A133 WeakPolarHBondContact O-CB 3.27Å; E129-A133 PolarHBondContact O-N 3.13Å; E129-A133 VanDerWaalsContact O-N 3.13Å; K130-A133 PolarHBondContact O-N 2.88Å; Y131-A133 VanDerWaalsContact C-N 3.28Å; Y131-A133 PolarHBondContact O-N 2.88Å; A133-P135 WeakPolarHBondContact O-CD 3.37Å
134L90.3Very high90.2Very high16 Ų1642.8 Ų42.88%0.08423%0.226CC..SBendtrans-77.7125.1175.8-66.4175.8000110.7Y131 E132 L193 Y198 F221 M224Y131-L134 HydrophobicContact CD2-CD1 4.35Å; Y131-L134 WeakPolarHBondContact O-CB 3.18Å; Y131-L134 PolarHBondContact O-N 3.05Å; Y131-L134 VanDerWaalsContact O-N 3.16Å; E132-L134 PolarHBondContact O-N 2.85Å; L134-L193 HydrophobicContact CD1-CD2 3.53Å; L134-L193 HydrophobicContact CD2-CD2 3.92Å; L134-L193 HydrophobicContact CG-CD2 4.4Å; L134-Y198 HydrophobicContact CD2-CD2 3.94Å; L134-Y198 HydrophobicContact CD2-CE2 4.2Å; L134-F221 HydrophobicContact CD1-CD1 4.43Å; L134-F221 HydrophobicContact CD1-CE1 4.36Å; L134-M224 HydrophobicContact CD1-CE 4.06Å; L134-M224 HydrophobicContact CD1-SD 3.93Å
135P92Very high90.5Very high55 Ų5543.6 Ų43.636%0.35723%0.229SC..PPolyproline II helixtrans-61148.7170.1-22.434.8000111.2A133 H137 H192 R196A133-P135 WeakPolarHBondContact O-CD 3.37Å; P135-H137 PolarHBondContact O-N 2.98Å; P135-H192 PolarHBondContact O-CE1 3.01Å; P135-H192 VanDerWaalsContact O-CE1 3.26Å; P135-H192 PolarHBondContact O-NE2 3.46Å; P135-H192 VanDerWaalsContact O-NE2 3.15Å; P135-R196 VanDerWaalsContact CD-NE 3.26Å
136P91.3Very high90.9Very high129 Ų12943 Ų4384%0.83823%0.226SC*.PPolyproline II helixtrans-54138175.3-2634.4000112.3
137H94Very high91.3Very high42 Ų4239.5 Ų39.519%0.19421%0.213CC..  trans-143.3139.6179-175-91.2000110.2P135 N139 I140 H192P135-H137 PolarHBondContact O-N 2.98Å; H137-N139 PolarHBondContact CE1-OD1 3.21Å; H137-N139 PolarHBondContact ND1-N 2.74Å; H137-N139 VanDerWaalsContact ND1-N 3.15Å; H137-N139 PolarHBondContact O-N 3.25Å; H137-I140 HydrophobicContact CB-CB 4.04Å; H137-I140 HydrophobicContact CB-CG1 3.78Å; H137-I140 PolarHBondContact O-N 3.19Å; H137-I140 VanDerWaalsContact O-N 3.07Å; H137-H192 AromaticContact CD2-CG 3.95Å; H137-H192 AromaticContact CD2-ND1 3.55Å; H137-H192 AromaticContact CG-CG 3.88Å; H137-H192 AromaticContact CG-ND1 3.76Å
138P93.4Very high91.5Very high36 Ų3639.3 Ų39.323%0.23421%0.212CC..THydrogen-bonded Turntrans-62.7-27-174.322.9-35.2000114.2K217 V338P138-K217 WeakPolarHBondContact O-CE 2.98Å; P138-V338 HydrophobicContact CB-CG1 3.37Å; P138-V338 HydrophobicContact CG-CG1 3.67Å
139N97.5Very high91.5Very high4 Ų439.2 Ų39.22%0.02121%0.212CC..THydrogen-bonded Turntrans-101.115.3177.7-50.7106.5000113.5H137 D185 A189 V216 K217 L218H137-N139 PolarHBondContact CE1-OD1 3.21Å; H137-N139 PolarHBondContact ND1-N 2.74Å; H137-N139 VanDerWaalsContact ND1-N 3.15Å; H137-N139 PolarHBondContact O-N 3.25Å; N139-D185 VanDerWaalsContact CB-O 3.27Å; N139-D185 WeakPolarHBondContact CB-O 3.35Å; N139-D185 VanDerWaalsContact ND2-CB 3.26Å; N139-D185 WeakPolarHBondContact ND2-CB 3.45Å; N139-D185 PolarHBondContact ND2-OD2 3.33Å; N139-A189 HydrophobicContact CB-CB 3.81Å; N139-A189 WeakPolarHBondContact O-CB 3.45Å; N139-V216 WeakPolarHBondContact CA-O 3.33Å; N139-V216 WeakPolarHBondContact CB-O 3.44Å; N139-V216 PolarHBondContact ND2-O 3Å; N139-K217 CarbonylContact O-C 3.54Å; N139-K217 VanDerWaalsContact O-CA 3.29Å; N139-K217 WeakPolarHBondContact O-CA 3.4Å; N139-L218 PolarHBondContact O-N 2.81Å
140I97.3Very high91.5Very high8 Ų839.4 Ų39.44%0.04122%0.215CC..BIsolated β-bridgetrans-114.2133.7172-65-68.5000107.3Y131 H137 K142 A189 L193 L218 F221Y131-I140 HydrophobicContact CE2-CG2 4.29Å; H137-I140 HydrophobicContact CB-CB 4.04Å; H137-I140 HydrophobicContact CB-CG1 3.78Å; H137-I140 PolarHBondContact O-N 3.19Å; H137-I140 VanDerWaalsContact O-N 3.07Å; I140-K142 PolarHBondContact O-N 3.19Å; I140-A189 HydrophobicContact CD1-CB 3.91Å; I140-L193 HydrophobicContact CD1-CD2 4.32Å; I140-L218 HydrophobicContact CD1-CB 4.29Å; I140-F221 HydrophobicContact CD1-CE1 4.22Å; I140-F221 HydrophobicContact CD1-CZ 3.89Å; I140-F221 HydrophobicContact CG2-CE2 4.06Å; I140-F221 HydrophobicContact CG2-CZ 3.69Å
141V96.5Very high91.4Very high7 Ų738.8 Ų38.84%0.04222%0.219CC..PPolyproline II helixtrans-57.8128.4172.4171.80000108Y131 F143 T157 E158 F209 K217 L218Y131-V141 WeakPolarHBondContact CE2-O 3.45Å; Y131-V141 VanDerWaalsContact OH-C 3.31Å; Y131-V141 PolarHBondContact OH-O 3.24Å; V141-F143 PolarHBondContact O-N 3.4Å; V141-T157 HydrophobicContact CG1-CG2 4.13Å; V141-E158 WeakPolarHBondContact CA-OE1 3.31Å; V141-E158 HydrophobicContact CG1-CG 4.05Å; V141-F209 HydrophobicContact CG2-CB 4.41Å; V141-F209 HydrophobicContact CG2-CD2 3.74Å; V141-F209 HydrophobicContact CG2-CE2 4.43Å; V141-F209 HydrophobicContact CG2-CG 4.3Å; V141-K217 HydrophobicContact CG2-CB 3.79Å; V141-L218 WeakPolarHBondContact CG2-O 3.44Å; V141-L218 PolarHBondContact N-O 3.29Å
142K93.5Very high91.5Very high125 Ų12541.6 Ų41.654%0.54323%0.23SC..PPolyproline II helixtrans-75.2117.4-176.6-176.4-179.1177.9-177.10110I140 I144 T157 E158I140-K142 PolarHBondContact O-N 3.19Å; K142-I144 HydrophobicContact CD-CD1 4.04Å; K142-I144 HydrophobicContact CG-CD1 4.06Å; K142-T157 CarbonylContact O-C 3.52Å; K142-T157 VanDerWaalsContact O-CA 3.27Å; K142-T157 WeakPolarHBondContact O-CA 3.37Å; K142-T157 WeakPolarHBondContact O-CB 3.38Å; K142-E158 HydrophobicContact CB-CB 4.15Å; K142-E158 HydrophobicContact CB-CG 3.98Å; K142-E158 VanDerWaalsContact CB-OE1 3.29Å; K142-E158 WeakPolarHBondContact CB-OE1 3.25Å; K142-E158 PolarHBondContact N-OE1 3.29Å; K142-E158 PolarHBondContact O-N 3.4Å
143F93Very high91.7Very high31 Ų3139.2 Ų39.214%0.13622%0.219CC..EExtended strand (participates in β ladder)trans-68.3136.1165.7-179.6-96.7000110.7V128 Y131 E132 V141 K145 A146 I155V128-F143 HydrophobicContact CG1-CE1 4.4Å; V128-F143 HydrophobicContact CG1-CE2 3.94Å; V128-F143 HydrophobicContact CG1-CZ 3.55Å; V128-F143 HydrophobicContact CG2-CE2 4.35Å; Y131-F143 HydrophobicContact CD1-CB 4.13Å; Y131-F143 AromaticContact CD1-CD2 3.67Å; Y131-F143 HydrophobicContact CD1-CD2 3.67Å; Y131-F143 HydrophobicContact CD1-CG 4.23Å; Y131-F143 HydrophobicContact CD2-CB 3.98Å; Y131-F143 HydrophobicContact CE1-CB 3.94Å; Y131-F143 AromaticContact CE1-CD2 3.87Å; Y131-F143 HydrophobicContact CE1-CD2 3.87Å; Y131-F143 HydrophobicContact CE1-CG 4.37Å; Y131-F143 HydrophobicContact CE2-CB 3.78Å; Y131-F143 HydrophobicContact CG-CB 4.14Å; Y131-F143 HydrophobicContact CG-CD2 4.19Å; Y131-F143 HydrophobicContact CG-CG 4.37Å; E132-F143 HydrophobicContact CG-CD1 3.72Å; E132-F143 HydrophobicContact CG-CE1 3.33Å; E132-F143 HydrophobicContact CG-CZ 3.96Å; E132-F143 VanDerWaalsContact OE1-CE1 3.23Å; E132-F143 WeakPolarHBondContact OE1-CE1 3.46Å; V141-F143 PolarHBondContact O-N 3.4Å; F143-K145 VanDerWaalsContact CZ-CA 3.49Å; F143-A146 HydrophobicContact CE2-CB 4.05Å; F143-A146 HydrophobicContact CZ-CB 3.88Å; F143-I155 HydrophobicContact CD2-CG2 4.19Å; F143-I155 HydrophobicContact CE2-CG2 4.03Å
144I91.7Very high92Very high49 Ų4936.8 Ų36.825%0.25120%0.196SC..EExtended strand (participates in β ladder)trans-108.1-57.1177.7-51.6-61.6000110.6Y106 K142 Q156Y106-I144 HydrophobicContact CD1-CD1 4.4Å; Y106-I144 HydrophobicContact CD1-CG1 3.86Å; Y106-I144 HydrophobicContact CE1-CD1 3.76Å; Y106-I144 HydrophobicContact CE1-CG1 3.66Å; K142-I144 HydrophobicContact CD-CD1 4.04Å; K142-I144 HydrophobicContact CG-CD1 4.06Å; I144-Q156 HydrophobicContact CB-CB 4.29Å; I144-Q156 HydrophobicContact CB-CG 3.87Å; I144-Q156 WeakPolarHBondContact CB-O 3.35Å; I144-Q156 HydrophobicContact CG1-CG 4.17Å; I144-Q156 HydrophobicContact CG2-CG 4.22Å; I144-Q156 PolarHBondContact N-O 3.15Å
145K90.9Very high92.1Very high46 Ų4636.6 Ų36.620%0.220%0.195CC..EExtended strand (participates in β ladder)trans-167.916517964.9-174.687165.70110.5F27 Y75 F143 W147 Q156F27-K145 HydrophobicContact CE1-CD 4.3Å; Y75-K145 PolarHBondContact OH-NZ 3.39Å; F143-K145 VanDerWaalsContact CZ-CA 3.49Å; K145-W147 HydrophobicContact CD-CE3 4.42Å; K145-W147 HydrophobicContact CD-CZ3 4.39Å; K145-W147 HydrophobicContact CG-CE3 4.15Å; K145-W147 HydrophobicContact CG-CZ3 4.09Å; K145-Q156 VanDerWaalsContact CD-OE1 3.23Å; K145-Q156 HydrophobicContact CG-CB 4.04Å; K145-Q156 PolarHBondContact N-O 2.64Å; K145-Q156 PolarHBondContact O-N 3.14Å
146A91.9Very high92.2Very high2 Ų234 Ų342%0.01718%0.178CC..EExtended strand (participates in β ladder)trans-134.3151.3168.500000110.7V128 F143 F153 Y154 I155V128-A146 HydrophobicContact CB-CB 4.41Å; V128-A146 HydrophobicContact CG1-CB 3.92Å; V128-A146 HydrophobicContact CG2-CB 3.63Å; F143-A146 HydrophobicContact CE2-CB 4.05Å; F143-A146 HydrophobicContact CZ-CB 3.88Å; A146-F153 HydrophobicContact CB-CE2 4.45Å; A146-F153 HydrophobicContact CB-CZ 4.42Å; A146-Y154 CarbonylContact C-O 3.52Å; A146-Y154 WeakPolarHBondContact CA-O 3.5Å; A146-Y154 VanDerWaalsContact CB-O 3.29Å; A146-Y154 WeakPolarHBondContact CB-O 3.41Å; A146-I155 HydrophobicContact CB-CG1 4.3Å
147W91.3Very high92.4Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-147.5158.8176.169.595.7000112.6P25 K26 F27 Y75 F76 F80 V108 K145 Y154 Q156P25-W147 HydrophobicContact CB-CB 4.31Å; P25-W147 HydrophobicContact CB-CG 4.24Å; K26-W147 CarbonylContact O-C 3.54Å; K26-W147 WeakPolarHBondContact O-CA 3.21Å; K26-W147 WeakPolarHBondContact O-CB 3.39Å; F27-W147 HydrophobicContact CD1-CB 3.77Å; F27-W147 HydrophobicContact CE1-CB 3.82Å; F27-W147 HydrophobicContact CE1-CD2 4.47Å; F27-W147 HydrophobicContact CE1-CE3 4.48Å; F27-W147 HydrophobicContact CE1-CG 4.22Å; F27-W147 HydrophobicContact CG-CB 4.42Å; Y75-W147 AromaticContact CD1-CD2 3.96Å; Y75-W147 HydrophobicContact CD1-CD2 3.96Å; Y75-W147 AromaticContact CD1-CE2 3.53Å; Y75-W147 HydrophobicContact CD1-CG 4.31Å; Y75-W147 HydrophobicContact CD1-CH2 4.49Å; Y75-W147 AromaticContact CD1-CZ2 3.85Å; Y75-W147 HydrophobicContact CD1-CZ2 3.85Å; Y75-W147 AromaticContact CD1-NE1 3.64Å; Y75-W147 HydrophobicContact CE1-CD2 4.03Å; Y75-W147 AromaticContact CE1-CE2 3.93Å; Y75-W147 HydrophobicContact CE1-CE3 4.22Å; Y75-W147 HydrophobicContact CE1-CH2 4.23Å; Y75-W147 HydrophobicContact CE1-CZ2 4.05Å; Y75-W147 HydrophobicContact CE1-CZ3 4.31Å; F76-W147 HydrophobicContact CB-CZ2 4.18Å; F76-W147 HydrophobicContact CD2-CZ2 4.2Å; F80-W147 AromaticContact CE2-CH2 3.95Å; F80-W147 HydrophobicContact CE2-CH2 3.95Å; F80-W147 HydrophobicContact CE2-CZ2 4.39Å; F80-W147 HydrophobicContact CZ-CH2 4.13Å; V108-W147 HydrophobicContact CG1-CH2 3.73Å; V108-W147 HydrophobicContact CG1-CZ2 4.18Å; K145-W147 HydrophobicContact CD-CE3 4.42Å; K145-W147 HydrophobicContact CD-CZ3 4.39Å; K145-W147 HydrophobicContact CG-CE3 4.15Å; K145-W147 HydrophobicContact CG-CZ3 4.09Å; W147-Y154 AromaticContact CD1-CD2 3.86Å; W147-Y154 HydrophobicContact CD2-CG 4.23Å; W147-Y154 AromaticContact CE2-CD1 4Å; W147-Y154 AromaticContact CE2-CD2 3.93Å; W147-Y154 AromaticContact CE2-CG 3.48Å; W147-Y154 VanDerWaalsContact CE2-CG 3.48Å; W147-Y154 HydrophobicContact CH2-CD1 4.45Å; W147-Y154 HydrophobicContact CH2-CG 4.44Å; W147-Y154 VanDerWaalsContact CZ2-CB 3.44Å; W147-Y154 AromaticContact CZ2-CD1 3.66Å; W147-Y154 HydrophobicContact CZ2-CD1 3.66Å; W147-Y154 HydrophobicContact CZ2-CD2 4.44Å; W147-Y154 AromaticContact CZ2-CG 3.61Å; W147-Y154 HydrophobicContact CZ2-CG 3.61Å; W147-Y154 PolarHBondContact N-O 3.19Å; W147-Y154 AromaticContact NE1-CD2 3.4Å; W147-Y154 AromaticContact NE1-CG 3.46Å; W147-Y154 PolarHBondContact O-N 3.47Å; W147-Q156 HydrophobicContact CH2-CB 4.46Å; W147-Q156 HydrophobicContact CZ3-CB 3.89Å
148E89.3Confident92.4Very high19 Ų1928.3 Ų28.39%0.08914%0.142CC..EExtended strand (participates in β ladder)trans-105.4129.9169.2161.3-174.515600108.5P25 K26 W35 F115 R121 Y152P25-E148 CarbonylContact C-O 3.54Å; P25-E148 VanDerWaalsContact CA-O 3.29Å; P25-E148 WeakPolarHBondContact CA-O 3.31Å; K26-E148 HydrophobicContact CB-CB 4.37Å; K26-E148 PolarHBondContact N-O 3.38Å; K26-E148 IonicContact NZ-OE1 2.69Å; K26-E148 PolarHBondContact NZ-OE1 3.49Å; K26-E148 IonicContact NZ-OE2 2.76Å; K26-E148 PolarHBondContact O-N 3.22Å; W35-E148 HydrophobicContact CZ3-CB 4.34Å; F115-E148 HydrophobicContact CD2-CG 4.45Å; F115-E148 HydrophobicContact CE2-CB 4.15Å; F115-E148 HydrophobicContact CE2-CG 3.74Å; R121-E148 IonicContact CZ-OE2 2.77Å; R121-E148 IonicContact NE-OE2 3.94Å; R121-E148 PolarHBondContact NE-OE2 3.26Å; R121-E148 IonicContact NH2-OE2 3.41Å; R121-E148 PolarHBondContact NH2-OE2 2.94Å; E148-Y152 WeakPolarHBondContact CA-O 3.35Å
149E88.7Confident92.5Very high1 Ų128.6 Ų28.61%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-147.1134.1175.3173166.1-113.400111.1P23 S74 Y75 F76 G151 Y152 Y154P23-E149 HydrophobicContact CB-CG 4.48Å; S74-E149 WeakPolarHBondContact CA-OE1 3.14Å; S74-E149 WeakPolarHBondContact CB-OE2 2.94Å; S74-E149 PolarHBondContact OG-OE2 3.43Å; Y75-E149 WeakPolarHBondContact CB-OE1 3.4Å; Y75-E149 PolarHBondContact N-OE1 3.12Å; Y75-E149 PolarHBondContact N-OE2 3.31Å; F76-E149 PolarHBondContact N-OE2 3.02Å; E149-G151 PolarHBondContact O-N 2.95Å; E149-G151 VanDerWaalsContact O-N 3.1Å; E149-Y152 PolarHBondContact N-O 3.06Å; E149-Y152 WeakPolarHBondContact O-CB 3.32Å; E149-Y152 PolarHBondContact O-N 3.17Å; E149-Y154 HydrophobicContact CB-CD2 4.37Å; E149-Y154 HydrophobicContact CB-CE2 4Å
150N87.4Confident92.4Very high87 Ų8729.3 Ų29.347%0.46515%0.146SC..THydrogen-bonded Turntrans51.932.2-178.9-61.8-26.6000113.5P23 L114 Y152P23-N150 WeakPolarHBondContact CB-OD1 3.46Å; L114-N150 WeakPolarHBondContact CD2-O 3.5Å; N150-Y152 HydrophobicContact CB-CD2 4.33Å; N150-Y152 WeakPolarHBondContact O-CD2 3.39Å; N150-Y152 PolarHBondContact O-N 3.15Å
151G85.6Confident92.2Very high23 Ų2333.4 Ų33.424%0.23717%0.166CC..THydrogen-bonded Turntrans76.6-1.7-177.200000115.2L114 F115 E149L114-G151 WeakPolarHBondContact CA-O 3.24Å; F115-G151 WeakPolarHBondContact CD2-O 3.42Å; F115-G151 PolarHBondContact N-O 3.37Å; E149-G151 PolarHBondContact O-N 2.95Å; E149-G151 VanDerWaalsContact O-N 3.1Å
152Y90.7Very high92.1Very high71 Ų7137.1 Ų37.128%0.27818%0.179SC..EExtended strand (participates in β ladder)trans-92155.1171.8-63.2-78.3000111.4S111 L114 E148 E149 N150S111-Y152 VanDerWaalsContact O-CD1 3.23Å; S111-Y152 WeakPolarHBondContact O-CD1 3.34Å; L114-Y152 HydrophobicContact CD2-CD1 4.27Å; L114-Y152 HydrophobicContact CD2-CD2 3.91Å; L114-Y152 HydrophobicContact CD2-CE1 4.05Å; L114-Y152 HydrophobicContact CD2-CE2 3.66Å; L114-Y152 HydrophobicContact CD2-CG 4.22Å; L114-Y152 HydrophobicContact CG-CE1 4.32Å; E148-Y152 WeakPolarHBondContact CA-O 3.35Å; E149-Y152 PolarHBondContact N-O 3.06Å; E149-Y152 WeakPolarHBondContact O-CB 3.32Å; E149-Y152 PolarHBondContact O-N 3.17Å; N150-Y152 HydrophobicContact CB-CD2 4.33Å; N150-Y152 WeakPolarHBondContact O-CD2 3.39Å; N150-Y152 PolarHBondContact O-N 3.15Å
153F91.4Very high92.1Very high9 Ų932.7 Ų32.74%0.03916%0.161CC..EExtended strand (participates in β ladder)trans-107.3134.4177.3-169.6-126.1000110.6W35 K110 S111 F115 K124 L125 V128 A146 I155W35-F153 HydrophobicContact CH2-CE2 4.42Å; K110-F153 WeakPolarHBondContact CA-O 3.4Å; S111-F153 PolarHBondContact N-O 3.38Å; S111-F153 PolarHBondContact OG-N 3.32Å; F115-F153 HydrophobicContact CE1-CB 4.26Å; F115-F153 HydrophobicContact CE2-CB 4.31Å; F115-F153 HydrophobicContact CZ-CB 3.67Å; F115-F153 AromaticContact CZ-CD2 3.79Å; F115-F153 HydrophobicContact CZ-CD2 3.79Å; F115-F153 AromaticContact CZ-CG 4Å; F115-F153 HydrophobicContact CZ-CG 4Å; K124-F153 HydrophobicContact CB-CD1 4.05Å; K124-F153 HydrophobicContact CB-CE1 3.99Å; K124-F153 HydrophobicContact CB-CG 4.46Å; K124-F153 HydrophobicContact CB-CZ 4.38Å; K124-F153 HydrophobicContact CD-CB 4.4Å; K124-F153 HydrophobicContact CG-CD1 4.46Å; K124-F153 WeakPolarHBondContact O-CE1 3.38Å; K124-F153 WeakPolarHBondContact O-CZ 3.4Å; L125-F153 HydrophobicContact CD2-CD2 4.47Å; L125-F153 HydrophobicContact CD2-CE2 3.71Å; L125-F153 HydrophobicContact CD2-CZ 4.17Å; V128-F153 HydrophobicContact CB-CZ 4.49Å; V128-F153 HydrophobicContact CG2-CE1 4.03Å; V128-F153 HydrophobicContact CG2-CE2 4.44Å; V128-F153 HydrophobicContact CG2-CZ 3.44Å; V128-F153 VanDerWaalsContact CG2-CZ 3.44Å; A146-F153 HydrophobicContact CB-CE2 4.45Å; A146-F153 HydrophobicContact CB-CZ 4.42Å; F153-I155 HydrophobicContact CD1-CD1 4.4Å; F153-I155 HydrophobicContact CD1-CG1 4.25Å; F153-I155 HydrophobicContact CE1-CD1 3.8Å; F153-I155 HydrophobicContact CE1-CG1 3.81Å; F153-I155 HydrophobicContact CZ-CG1 4.35Å
154Y93.3Very high92.2Very high12 Ų1231.3 Ų31.35%0.04716%0.155CC..EExtended strand (participates in β ladder)trans-124.6134.7-178-66-99.4000110.8F76 V108 K109 K110 A146 W147 E149F76-Y154 HydrophobicContact CB-CE1 4.14Å; F76-Y154 HydrophobicContact CD1-CE1 4.22Å; F76-Y154 HydrophobicContact CG-CE1 4.18Å; V108-Y154 HydrophobicContact CG1-CD1 4.01Å; K109-Y154 CarbonylContact O-C 3.55Å; K109-Y154 VanDerWaalsContact O-CA 3.23Å; K109-Y154 WeakPolarHBondContact O-CA 3.37Å; K110-Y154 HydrophobicContact CB-CD1 3.88Å; K110-Y154 HydrophobicContact CB-CE1 3.65Å; K110-Y154 HydrophobicContact CD-CE1 3.72Å; K110-Y154 WeakPolarHBondContact CD-OH 3.37Å; K110-Y154 HydrophobicContact CG-CD1 4.17Å; K110-Y154 HydrophobicContact CG-CE1 3.54Å; K110-Y154 HydrophobicContact CG-CE2 4.49Å; A146-Y154 CarbonylContact C-O 3.52Å; A146-Y154 WeakPolarHBondContact CA-O 3.5Å; A146-Y154 VanDerWaalsContact CB-O 3.29Å; A146-Y154 WeakPolarHBondContact CB-O 3.41Å; W147-Y154 AromaticContact CD1-CD2 3.86Å; W147-Y154 HydrophobicContact CD2-CG 4.23Å; W147-Y154 AromaticContact CE2-CD1 4Å; W147-Y154 AromaticContact CE2-CD2 3.93Å; W147-Y154 AromaticContact CE2-CG 3.48Å; W147-Y154 VanDerWaalsContact CE2-CG 3.48Å; W147-Y154 HydrophobicContact CH2-CD1 4.45Å; W147-Y154 HydrophobicContact CH2-CG 4.44Å; W147-Y154 VanDerWaalsContact CZ2-CB 3.44Å; W147-Y154 AromaticContact CZ2-CD1 3.66Å; W147-Y154 HydrophobicContact CZ2-CD1 3.66Å; W147-Y154 HydrophobicContact CZ2-CD2 4.44Å; W147-Y154 AromaticContact CZ2-CG 3.61Å; W147-Y154 HydrophobicContact CZ2-CG 3.61Å; W147-Y154 PolarHBondContact N-O 3.19Å; W147-Y154 AromaticContact NE1-CD2 3.4Å; W147-Y154 AromaticContact NE1-CG 3.46Å; W147-Y154 PolarHBondContact O-N 3.47Å; E149-Y154 HydrophobicContact CB-CD2 4.37Å; E149-Y154 HydrophobicContact CB-CE2 4Å
155I93.5Very high92.3Very high12 Ų1230.4 Ų30.46%0.06215%0.152CC..EExtended strand (participates in β ladder)trans-123.4125.3172.1-61.4176.8000108.2V108 K109 E127 V128 F143 A146 F153 T157V108-I155 CarbonylContact C-O 3.51Å; V108-I155 WeakPolarHBondContact CA-O 3.45Å; K109-I155 HydrophobicContact CB-CB 4.49Å; K109-I155 PolarHBondContact N-O 3Å; K109-I155 PolarHBondContact O-N 3.41Å; E127-I155 WeakPolarHBondContact OE1-CD1 3.41Å; V128-I155 HydrophobicContact CG2-CD1 4.21Å; V128-I155 HydrophobicContact CG2-CG1 4.24Å; F143-I155 HydrophobicContact CD2-CG2 4.19Å; F143-I155 HydrophobicContact CE2-CG2 4.03Å; A146-I155 HydrophobicContact CB-CG1 4.3Å; F153-I155 HydrophobicContact CD1-CD1 4.4Å; F153-I155 HydrophobicContact CD1-CG1 4.25Å; F153-I155 HydrophobicContact CE1-CD1 3.8Å; F153-I155 HydrophobicContact CE1-CG1 3.81Å; F153-I155 HydrophobicContact CZ-CG1 4.35Å; I155-T157 HydrophobicContact CG2-CG2 3.99Å
156Q94.3Very high92.4Very high1 Ų132 Ų321%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-104.1125.4172.6179.8-172.9-4.100109.9Y106 A107 V108 I144 K145 W147Y106-Q156 HydrophobicContact CD1-CG 4.22Å; Y106-Q156 VanDerWaalsContact CE2-NE2 3.31Å; Y106-Q156 HydrophobicContact CG-CG 4.01Å; A107-Q156 WeakPolarHBondContact O-CA 3.43Å; V108-Q156 HydrophobicContact CG2-CB 4.34Å; V108-Q156 HydrophobicContact CG2-CG 4.22Å; I144-Q156 HydrophobicContact CB-CB 4.29Å; I144-Q156 HydrophobicContact CB-CG 3.87Å; I144-Q156 WeakPolarHBondContact CB-O 3.35Å; I144-Q156 HydrophobicContact CG1-CG 4.17Å; I144-Q156 HydrophobicContact CG2-CG 4.22Å; I144-Q156 PolarHBondContact N-O 3.15Å; K145-Q156 VanDerWaalsContact CD-OE1 3.23Å; K145-Q156 HydrophobicContact CG-CB 4.04Å; K145-Q156 PolarHBondContact N-O 2.64Å; K145-Q156 PolarHBondContact O-N 3.14Å; W147-Q156 HydrophobicContact CH2-CB 4.46Å; W147-Q156 HydrophobicContact CZ3-CB 3.89Å
157T95Very high92.4Very high23 Ų2333 Ų3314%0.14117%0.166CC..EExtended strand (participates in β ladder)trans-125.8167.2173.7640000110.8Y106 A107 Y131 V141 K142 I155Y106-T157 WeakPolarHBondContact CD1-O 3.47Å; A107-T157 PolarHBondContact N-O 3.5Å; A107-T157 PolarHBondContact O-N 2.98Å; Y131-T157 HydrophobicContact CE1-CG2 4.2Å; V141-T157 HydrophobicContact CG1-CG2 4.13Å; K142-T157 CarbonylContact O-C 3.52Å; K142-T157 VanDerWaalsContact O-CA 3.27Å; K142-T157 WeakPolarHBondContact O-CA 3.37Å; K142-T157 WeakPolarHBondContact O-CB 3.38Å; I155-T157 HydrophobicContact CG2-CG2 3.99Å
158E94.4Very high92.4Very high28 Ų2833.9 Ų33.913%0.13117%0.171CC..EExtended strand (participates in β ladder)trans-54.2145.8164.973.1-177.7133.200111V141 K142 K217V141-E158 WeakPolarHBondContact CA-OE1 3.31Å; V141-E158 HydrophobicContact CG1-CG 4.05Å; K142-E158 HydrophobicContact CB-CB 4.15Å; K142-E158 HydrophobicContact CB-CG 3.98Å; K142-E158 VanDerWaalsContact CB-OE1 3.29Å; K142-E158 WeakPolarHBondContact CB-OE1 3.25Å; K142-E158 PolarHBondContact N-OE1 3.29Å; K142-E158 PolarHBondContact O-N 3.4Å; E158-K217 VanDerWaalsContact OE1-CD 3.32Å; E158-K217 WeakPolarHBondContact OE1-CD 3.42Å; E158-K217 IonicContact OE1-NZ 3.77Å; E158-K217 PolarHBondContact OE1-NZ 3.19Å; E158-K217 IonicContact OE2-NZ 2.62Å; E158-K217 PolarHBondContact OE2-NZ 2.91Å
159L95.4Very high92.4Very high43 Ų4338.9 Ų38.923%0.22520%0.198CC..PPolyproline II helixtrans-84.1126172.1-176.466.2000109.6I86 R96 N105 A107I86-L159 HydrophobicContact CD1-CD1 4Å; R96-L159 HydrophobicContact CG-CD2 3.8Å; N105-L159 HydrophobicContact CB-CD2 3.81Å; A107-L159 HydrophobicContact CB-CD1 4.09Å
160C95.2Very high92.3Very high18 Ų1843.1 Ų43.112%0.12222%0.224CC..PPolyproline II helixtrans-96.8164.1166.8-64.70000110.1F209C160-F209 HydrophobicContact CB-CB 3.6Å; C160-F209 HydrophobicContact CB-CD1 4.21Å; C160-F209 HydrophobicContact CB-CG 4.22Å
161E92.8Very high92Very high95 Ų9544.2 Ų44.244%0.44422%0.222SC..SBendtrans-67.7-49.2-175.9-171-167.1152.700111.3L210 E212E161-L210 WeakPolarHBondContact CB-O 3.46Å; E161-L210 PolarHBondContact N-O 2.72Å; E161-E212 HydrophobicContact CB-CG 4.22Å; E161-E212 HydrophobicContact CG-CG 4.31Å; E161-E212 WeakPolarHBondContact OE2-CA 3.43Å
162R93.9Very high91.5Very high85 Ų8548.3 Ų48.332%0.32125%0.247SC..EExtended strand (participates in β ladder)trans-160165.9179.563.6-173.480.6-176.32.1110.8D166 T170 L210R162-D166 HydrophobicContact CB-CB 4.24Å; R162-T170 PolarHBondContact NH1-OG1 3.43Å; R162-L210 PolarHBondContact O-N 3.03Å
163N95.5Very high90.9Very high31 Ų3148.5 Ų48.517%0.16626%0.259CS..EExtended strand (participates in β ladder)trans-84170.6167.963.543.9000111.1T165 D166 Y167 D206 I208 F209N163-T165 VanDerWaalsContact C-N 3.35Å; N163-T165 WeakPolarHBondContact OD1-CB 3.29Å; N163-T165 PolarHBondContact OD1-N 3.26Å; N163-D166 PolarHBondContact ND2-OD2 2.86Å; N163-D166 WeakPolarHBondContact OD1-CB 3.33Å; N163-D166 VanDerWaalsContact OD1-CG 3.24Å; N163-D166 PolarHBondContact OD1-N 3.26Å; N163-D166 PolarHBondContact OD1-OD2 3.36Å; N163-Y167 PolarHBondContact O-N 2.92Å; N163-Y167 VanDerWaalsContact O-N 3.12Å; N163-D206 WeakPolarHBondContact CB-O 3.15Å; N163-I208 CarbonylContact C-O 3.55Å; N163-I208 VanDerWaalsContact CA-O 3.25Å; N163-I208 WeakPolarHBondContact CA-O 3.45Å; N163-F209 HydrophobicContact CB-CD1 4.06Å; N163-F209 HydrophobicContact CB-CE1 4.06Å
164L95.1Very high90.6Very high2 Ų248.9 Ų48.91%0.0126%0.261CS..Hα-helixtrans-70.3-33.3-178-179.164.3000110.9D166 Y167 L168 F182 P205 I208 L210 T263 M267L164-D166 PolarHBondContact O-N 2.8Å; L164-Y167 HydrophobicContact CD1-CD1 4.2Å; L164-Y167 WeakPolarHBondContact O-CB 3.44Å; L164-Y167 PolarHBondContact O-N 3.08Å; L164-L168 HydrophobicContact CD1-CD1 4.41Å; L164-L168 HydrophobicContact CD1-CD2 4.37Å; L164-L168 HydrophobicContact CD1-CG 4.11Å; L164-L168 HydrophobicContact CG-CD1 4.02Å; L164-L168 HydrophobicContact CG-CG 4.18Å; L164-L168 WeakPolarHBondContact O-CB 3.2Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.26Å; L164-L168 PolarHBondContact O-N 2.73Å; L164-F182 HydrophobicContact CD1-CD2 4.06Å; L164-F182 HydrophobicContact CD1-CE2 4.16Å; L164-P205 HydrophobicContact CB-CB 4.03Å; L164-P205 WeakPolarHBondContact CB-O 3.33Å; L164-P205 HydrophobicContact CD2-CB 4.15Å; L164-P205 HydrophobicContact CD2-CG 4.43Å; L164-P205 HydrophobicContact CG-CB 4.12Å; L164-P205 PolarHBondContact N-O 3.19Å; L164-P205 VanDerWaalsContact N-O 3.15Å; L164-I208 HydrophobicContact CB-CB 3.99Å; L164-I208 HydrophobicContact CB-CG2 4.05Å; L164-I208 HydrophobicContact CD2-CB 4.29Å; L164-I208 HydrophobicContact CD2-CD1 4.11Å; L164-I208 HydrophobicContact CD2-CG2 4.09Å; L164-I208 PolarHBondContact N-O 3.33Å; L164-L210 HydrophobicContact CD1-CD1 4.46Å; L164-T263 HydrophobicContact CD2-CG2 3.97Å; L164-M267 HydrophobicContact CD1-SD 4.34Å; L164-M267 HydrophobicContact CD2-CG 4.06Å; L164-M267 HydrophobicContact CD2-SD 3.83Å
165T92.7Very high90.4Very high31 Ų3152.3 Ų52.319%0.1928%0.281CS..Hα-helixtrans-55.1-53.5173.2-54.90000111.3N163 Y167 L168 N169 P205 D206N163-T165 VanDerWaalsContact C-N 3.35Å; N163-T165 WeakPolarHBondContact OD1-CB 3.29Å; N163-T165 PolarHBondContact OD1-N 3.26Å; T165-Y167 VanDerWaalsContact C-N 3.27Å; T165-Y167 PolarHBondContact O-N 3.41Å; T165-L168 PolarHBondContact O-N 2.94Å; T165-N169 WeakPolarHBondContact O-CB 3.41Å; T165-N169 VanDerWaalsContact O-CG 3.25Å; T165-N169 PolarHBondContact O-N 3.49Å; T165-N169 PolarHBondContact O-ND2 3.17Å; T165-P205 PolarHBondContact N-O 3.15Å; T165-P205 VanDerWaalsContact OG1-C 3.31Å; T165-P205 WeakPolarHBondContact OG1-CB 3.35Å; T165-D206 WeakPolarHBondContact CB-OD1 3.45Å; T165-D206 PolarHBondContact OG1-N 3.21Å; T165-D206 VanDerWaalsContact OG1-N 3.15Å; T165-D206 PolarHBondContact OG1-OD1 2.93Å
166D92.3Very high90.2Very high78 Ų7855.3 Ų55.342%0.41730%0.297SS..Hα-helixtrans-63.3-35.3178.4-68-21.8000111.7R162 N163 L164 T170R162-D166 HydrophobicContact CB-CB 4.24Å; N163-D166 PolarHBondContact ND2-OD2 2.86Å; N163-D166 WeakPolarHBondContact OD1-CB 3.33Å; N163-D166 VanDerWaalsContact OD1-CG 3.24Å; N163-D166 PolarHBondContact OD1-N 3.26Å; N163-D166 PolarHBondContact OD1-OD2 3.36Å; L164-D166 PolarHBondContact O-N 2.8Å; D166-T170 WeakPolarHBondContact O-CB 3.31Å; D166-T170 VanDerWaalsContact O-CG2 3.24Å; D166-T170 WeakPolarHBondContact O-CG2 3.2Å; D166-T170 PolarHBondContact O-N 2.94Å; D166-T170 PolarHBondContact O-OG1 3.14Å
167Y92.4Very high90Very high23 Ų2361 Ų619%0.0932%0.324CS..Hα-helixtrans-64.6-47175.1-176.6-94.9000112.4N163 L164 T165 T170 R171 V174 E178 F182 L210N163-Y167 PolarHBondContact O-N 2.92Å; N163-Y167 VanDerWaalsContact O-N 3.12Å; L164-Y167 HydrophobicContact CD1-CD1 4.2Å; L164-Y167 WeakPolarHBondContact O-CB 3.44Å; L164-Y167 PolarHBondContact O-N 3.08Å; T165-Y167 VanDerWaalsContact C-N 3.27Å; T165-Y167 PolarHBondContact O-N 3.41Å; Y167-T170 PolarHBondContact O-N 2.96Å; Y167-T170 PolarHBondContact O-OG1 2.85Å; Y167-T170 VanDerWaalsContact O-OG1 3.08Å; Y167-R171 VanDerWaalsContact OH-CD 3.25Å; Y167-R171 WeakPolarHBondContact OH-CD 3.37Å; Y167-R171 VanDerWaalsContact OH-CZ 3.27Å; Y167-R171 PolarHBondContact OH-NE 3.15Å; Y167-R171 PolarHBondContact OH-NH1 3.46Å; Y167-V174 HydrophobicContact CE1-CG1 4.5Å; Y167-V174 HydrophobicContact CE1-CG2 4.01Å; Y167-E178 PolarHBondContact OH-OE1 3.06Å; Y167-E178 PolarHBondContact OH-OE2 2.97Å; Y167-F182 AromaticContact CD1-CE2 3.96Å; Y167-F182 HydrophobicContact CD1-CE2 3.96Å; Y167-F182 HydrophobicContact CD1-CZ 4.45Å; Y167-F182 AromaticContact CE1-CE2 3.59Å; Y167-F182 HydrophobicContact CE1-CE2 3.59Å; Y167-F182 AromaticContact CE1-CZ 3.9Å; Y167-F182 HydrophobicContact CE1-CZ 3.9Å; Y167-L210 HydrophobicContact CD1-CD1 3.98Å; Y167-L210 HydrophobicContact CD2-CD1 3.44Å; Y167-L210 VanDerWaalsContact CD2-CD1 3.44Å; Y167-L210 HydrophobicContact CE2-CD1 4.16Å; Y167-L210 HydrophobicContact CG-CD1 3.35Å
168L90.7Very high89.8Confident19 Ų1962 Ų6210%0.09933%0.327CS..Hα-helixtrans-65.3-45.4178.8-66.2175.4000110.6L164 T165 T170 R171 V174 M267L164-L168 HydrophobicContact CD1-CD1 4.41Å; L164-L168 HydrophobicContact CD1-CD2 4.37Å; L164-L168 HydrophobicContact CD1-CG 4.11Å; L164-L168 HydrophobicContact CG-CD1 4.02Å; L164-L168 HydrophobicContact CG-CG 4.18Å; L164-L168 WeakPolarHBondContact O-CB 3.2Å; L164-L168 VanDerWaalsContact O-CG 3.25Å; L164-L168 WeakPolarHBondContact O-CG 3.26Å; L164-L168 PolarHBondContact O-N 2.73Å; T165-L168 PolarHBondContact O-N 2.94Å; L168-T170 PolarHBondContact O-N 2.87Å; L168-T170 VanDerWaalsContact O-N 3.15Å; L168-R171 PolarHBondContact O-N 2.76Å; L168-R171 VanDerWaalsContact O-O 3.06Å; L168-V174 HydrophobicContact CD2-CG2 3.44Å; L168-V174 VanDerWaalsContact CD2-CG2 3.44Å; L168-M267 HydrophobicContact CD1-CG 4.32Å; L168-M267 HydrophobicContact CD2-CG 4.39Å
169N89.8Confident89.7Confident124 Ų12460.8 Ų60.866%0.66332%0.321SS*.Hα-helixtrans-63.8-22.4179.7-71.9-25.4000114.3T165T165-N169 WeakPolarHBondContact O-CB 3.41Å; T165-N169 VanDerWaalsContact O-CG 3.25Å; T165-N169 PolarHBondContact O-N 3.49Å; T165-N169 PolarHBondContact O-ND2 3.17Å
170T87.7Confident89.7Confident90 Ų9059.7 Ų59.755%0.55231%0.314SS*.THydrogen-bonded Turntrans-92.9-4.1-17951.50000113.8R162 D166 Y167 L168R162-T170 PolarHBondContact NH1-OG1 3.43Å; D166-T170 WeakPolarHBondContact O-CB 3.31Å; D166-T170 VanDerWaalsContact O-CG2 3.24Å; D166-T170 WeakPolarHBondContact O-CG2 3.2Å; D166-T170 PolarHBondContact O-N 2.94Å; D166-T170 PolarHBondContact O-OG1 3.14Å; Y167-T170 PolarHBondContact O-N 2.96Å; Y167-T170 PolarHBondContact O-OG1 2.85Å; Y167-T170 VanDerWaalsContact O-OG1 3.08Å; L168-T170 PolarHBondContact O-N 2.87Å; L168-T170 VanDerWaalsContact O-N 3.15Å
171R79.6Confident89.7Confident110 Ų11060.2 Ų60.242%0.41532%0.316SS..  trans-123.5148.6-177.5-63.2-175.172.3115-3.2110.7Y167 L168 S173Y167-R171 VanDerWaalsContact OH-CD 3.25Å; Y167-R171 WeakPolarHBondContact OH-CD 3.37Å; Y167-R171 VanDerWaalsContact OH-CZ 3.27Å; Y167-R171 PolarHBondContact OH-NE 3.15Å; Y167-R171 PolarHBondContact OH-NH1 3.46Å; L168-R171 PolarHBondContact O-N 2.76Å; L168-R171 VanDerWaalsContact O-O 3.06Å; R171-S173 VanDerWaalsContact C-N 3.3Å
172S75.7Confident89.8Confident109 Ų10956 Ų5676%0.76230%0.297SS*.SBendtrans-76.8-18.5175.260.30000113.7
173S79.3Confident90Very high76 Ų7652 Ų5253%0.53128%0.282SS..  trans-174.1148.718057.90000109.8R171R171-S173 VanDerWaalsContact C-N 3.3Å
174V84.6Confident90.1Very high16 Ų1650.6 Ų50.610%0.09727%0.274CS..  trans-100.2137169.4-173.30000108.3Y167 L168 E178 I179 F182Y167-V174 HydrophobicContact CE1-CG1 4.5Å; Y167-V174 HydrophobicContact CE1-CG2 4.01Å; L168-V174 HydrophobicContact CD2-CG2 3.44Å; L168-V174 VanDerWaalsContact CD2-CG2 3.44Å; V174-E178 HydrophobicContact CG1-CB 3.92Å; V174-E178 HydrophobicContact CG1-CG 3.76Å; V174-E178 VanDerWaalsContact CG1-OE2 3.32Å; V174-E178 WeakPolarHBondContact CG1-OE2 3.3Å; V174-I179 HydrophobicContact CB-CD1 4.25Å; V174-I179 HydrophobicContact CB-CG1 3.91Å; V174-I179 HydrophobicContact CG1-CD1 4.39Å; V174-I179 HydrophobicContact CG1-CG1 3.53Å; V174-F182 HydrophobicContact CG1-CE2 4.4Å
175D88.3Confident90.3Very high85 Ų8550.5 Ų50.546%0.45527%0.274SS..  trans-75.9149.9178.673.669.1000111.9Q177 E178 I179D175-Q177 PolarHBondContact O-N 3.22Å; D175-Q177 WeakPolarHBondContact OD1-CA 3.39Å; D175-Q177 WeakPolarHBondContact OD1-CB 3.29Å; D175-Q177 PolarHBondContact OD1-N 3.37Å; D175-E178 WeakPolarHBondContact O-CB 3.34Å; D175-E178 PolarHBondContact O-N 3.5Å; D175-E178 VanDerWaalsContact O-N 3.08Å; D175-E178 WeakPolarHBondContact OD1-CB 3.35Å; D175-E178 PolarHBondContact OD1-N 3.01Å; D175-I179 WeakPolarHBondContact O-CG1 3.31Å; D175-I179 PolarHBondContact O-N 2.86Å
176D90.5Very high90.5Very high74 Ų7449.2 Ų49.240%0.39627%0.265SS..Hα-helixtrans-60.1-24-175.5-53-25.2000113.7R180 P297D176-R180 VanDerWaalsContact CB-NH1 3.26Å; D176-R180 VanDerWaalsContact O-CG 3.29Å; D176-R180 WeakPolarHBondContact O-CG 3.32Å; D176-R180 PolarHBondContact O-N 3.31Å; D176-R180 PolarHBondContact O-NH1 3.47Å; D176-P297 HydrophobicContact CB-CG 4.31Å; D176-P297 VanDerWaalsContact CG-CG 3.49Å; D176-P297 VanDerWaalsContact OD2-CG 3.26Å; D176-P297 WeakPolarHBondContact OD2-CG 3.39Å
177Q89.5Confident90.8Very high122 Ų12245.5 Ų45.557%0.5725%0.246SC*.Hα-helixtrans-79.5-38179.4-177.9175.3-1600110.7D175 R180 T181 Y330D175-Q177 PolarHBondContact O-N 3.22Å; D175-Q177 WeakPolarHBondContact OD1-CA 3.39Å; D175-Q177 WeakPolarHBondContact OD1-CB 3.29Å; D175-Q177 PolarHBondContact OD1-N 3.37Å; Q177-R180 PolarHBondContact O-N 2.97Å; Q177-T181 WeakPolarHBondContact O-CB 3.47Å; Q177-T181 PolarHBondContact O-N 3.48Å; Q177-T181 PolarHBondContact O-OG1 3.2Å; Q177-Y330 HydrophobicContact CG-CE1 4.42Å
178E90.3Very high91.1Very high43 Ų4346.5 Ų46.520%0.20125%0.251CS..Hα-helixtrans-64.9-45.8171.8-176.5166-111.600110.6Y167 V174 D175 R180 T181 F182Y167-E178 PolarHBondContact OH-OE1 3.06Å; Y167-E178 PolarHBondContact OH-OE2 2.97Å; V174-E178 HydrophobicContact CG1-CB 3.92Å; V174-E178 HydrophobicContact CG1-CG 3.76Å; V174-E178 VanDerWaalsContact CG1-OE2 3.32Å; V174-E178 WeakPolarHBondContact CG1-OE2 3.3Å; D175-E178 WeakPolarHBondContact O-CB 3.34Å; D175-E178 PolarHBondContact O-N 3.5Å; D175-E178 VanDerWaalsContact O-N 3.08Å; D175-E178 WeakPolarHBondContact OD1-CB 3.35Å; D175-E178 PolarHBondContact OD1-N 3.01Å; E178-R180 VanDerWaalsContact C-N 3.35Å; E178-R180 PolarHBondContact O-N 2.78Å; E178-T181 CarbonylContact O-C 3.53Å; E178-T181 WeakPolarHBondContact O-CA 3.26Å; E178-T181 WeakPolarHBondContact O-CB 3.5Å; E178-T181 PolarHBondContact O-N 3Å; E178-F182 HydrophobicContact CG-CD1 4.35Å; E178-F182 HydrophobicContact CG-CD2 4.3Å; E178-F182 HydrophobicContact CG-CE1 3.78Å; E178-F182 HydrophobicContact CG-CE2 3.72Å; E178-F182 HydrophobicContact CG-CZ 3.42Å; E178-F182 VanDerWaalsContact CG-CZ 3.42Å; E178-F182 WeakPolarHBondContact O-CG 3.43Å; E178-F182 PolarHBondContact O-N 3.1Å
179I93.4Very high91.5Very high2 Ų245.6 Ų45.61%0.0125%0.246CC..Hα-helixtrans-55.4-48.6173.5-65174.3000111V174 D175 T181 F182 L183 L264 M267 L300V174-I179 HydrophobicContact CB-CD1 4.25Å; V174-I179 HydrophobicContact CB-CG1 3.91Å; V174-I179 HydrophobicContact CG1-CD1 4.39Å; V174-I179 HydrophobicContact CG1-CG1 3.53Å; D175-I179 WeakPolarHBondContact O-CG1 3.31Å; D175-I179 PolarHBondContact O-N 2.86Å; I179-T181 VanDerWaalsContact C-N 3.26Å; I179-T181 PolarHBondContact O-N 3.27Å; I179-F182 PolarHBondContact O-N 3.33Å; I179-L183 WeakPolarHBondContact O-CB 3.48Å; I179-L183 PolarHBondContact O-N 3.48Å; I179-L264 HydrophobicContact CG2-CD1 3.47Å; I179-L264 VanDerWaalsContact CG2-CD1 3.47Å; I179-M267 WeakPolarHBondContact CD1-O 3.35Å; I179-M267 HydrophobicContact CG1-CB 4.34Å; I179-M267 HydrophobicContact CG2-CB 4.35Å; I179-M267 HydrophobicContact CG2-CE 4.42Å; I179-L300 HydrophobicContact CG2-CD1 4.28Å
180R94.7Very high91.9Very high21 Ų2139.7 Ų39.78%0.07922%0.215CC..Hα-helixtrans-59.7-39.4176.5-75.6-179.9-169.791.1-2.8111.6D176 Q177 E178 L183 I184 D299 L300 L327D176-R180 VanDerWaalsContact CB-NH1 3.26Å; D176-R180 VanDerWaalsContact O-CG 3.29Å; D176-R180 WeakPolarHBondContact O-CG 3.32Å; D176-R180 PolarHBondContact O-N 3.31Å; D176-R180 PolarHBondContact O-NH1 3.47Å; Q177-R180 PolarHBondContact O-N 2.97Å; E178-R180 VanDerWaalsContact C-N 3.35Å; E178-R180 PolarHBondContact O-N 2.78Å; R180-L183 PolarHBondContact O-N 3.36Å; R180-I184 VanDerWaalsContact O-CD1 3.26Å; R180-I184 WeakPolarHBondContact O-CD1 3.45Å; R180-I184 WeakPolarHBondContact O-CG1 3.24Å; R180-I184 PolarHBondContact O-N 3.03Å; R180-D299 IonicContact CZ-OD2 2.65Å; R180-D299 IonicContact NE-OD2 3.52Å; R180-D299 IonicContact NH2-OD1 3.29Å; R180-D299 PolarHBondContact NH2-OD1 3.04Å; R180-D299 IonicContact NH2-OD2 3.11Å; R180-D299 PolarHBondContact NH2-OD2 3.04Å; R180-L300 HydrophobicContact CG-CD2 4.03Å; R180-L327 HydrophobicContact CB-CD2 4.22Å; R180-L327 HydrophobicContact CG-CD2 4.04Å
181T93.8Very high92.4Very high28 Ų2837.9 Ų37.917%0.17220%0.199CC..Hα-helixtrans-65.8-46.4179.6-60.60000111.6Q177 E178 I179 L183 I184 D185 R334Q177-T181 WeakPolarHBondContact O-CB 3.47Å; Q177-T181 PolarHBondContact O-N 3.48Å; Q177-T181 PolarHBondContact O-OG1 3.2Å; E178-T181 CarbonylContact O-C 3.53Å; E178-T181 WeakPolarHBondContact O-CA 3.26Å; E178-T181 WeakPolarHBondContact O-CB 3.5Å; E178-T181 PolarHBondContact O-N 3Å; I179-T181 VanDerWaalsContact C-N 3.26Å; I179-T181 PolarHBondContact O-N 3.27Å; T181-L183 VanDerWaalsContact C-N 3.35Å; T181-I184 PolarHBondContact O-N 3.13Å; T181-D185 PolarHBondContact O-N 3.34Å; T181-D185 VanDerWaalsContact O-N 3.16Å; T181-R334 HydrophobicContact CG2-CG 4.41Å
182F96.4Very high93.3Very high8 Ų833.3 Ų33.34%0.03518%0.182CC..Hα-helixtrans-62.6-43175.9-67.4-7000111.6L164 Y167 V174 E178 I179 I184 D185 L186 L210 V216 M267L164-F182 HydrophobicContact CD1-CD2 4.06Å; L164-F182 HydrophobicContact CD1-CE2 4.16Å; Y167-F182 AromaticContact CD1-CE2 3.96Å; Y167-F182 HydrophobicContact CD1-CE2 3.96Å; Y167-F182 HydrophobicContact CD1-CZ 4.45Å; Y167-F182 AromaticContact CE1-CE2 3.59Å; Y167-F182 HydrophobicContact CE1-CE2 3.59Å; Y167-F182 AromaticContact CE1-CZ 3.9Å; Y167-F182 HydrophobicContact CE1-CZ 3.9Å; V174-F182 HydrophobicContact CG1-CE2 4.4Å; E178-F182 HydrophobicContact CG-CD1 4.35Å; E178-F182 HydrophobicContact CG-CD2 4.3Å; E178-F182 HydrophobicContact CG-CE1 3.78Å; E178-F182 HydrophobicContact CG-CE2 3.72Å; E178-F182 HydrophobicContact CG-CZ 3.42Å; E178-F182 VanDerWaalsContact CG-CZ 3.42Å; E178-F182 WeakPolarHBondContact O-CG 3.43Å; E178-F182 PolarHBondContact O-N 3.1Å; I179-F182 PolarHBondContact O-N 3.33Å; F182-I184 PolarHBondContact O-N 2.84Å; F182-D185 PolarHBondContact O-N 2.97Å; F182-L186 WeakPolarHBondContact O-CB 3.45Å; F182-L186 PolarHBondContact O-N 2.92Å; F182-L210 HydrophobicContact CD1-CD2 4.08Å; F182-L210 HydrophobicContact CE1-CD2 3.59Å; F182-L210 HydrophobicContact CE2-CD1 4.42Å; F182-L210 HydrophobicContact CE2-CD2 4.31Å; F182-L210 HydrophobicContact CZ-CD1 4.19Å; F182-L210 HydrophobicContact CZ-CD2 3.72Å; F182-V216 HydrophobicContact CB-CG2 3.84Å; F182-V216 HydrophobicContact CD1-CG2 3.55Å; F182-V216 HydrophobicContact CE1-CG2 4.26Å; F182-V216 HydrophobicContact CG-CG2 3.75Å; F182-M267 HydrophobicContact CB-SD 4.09Å; F182-M267 HydrophobicContact CD2-SD 4.09Å
183L97.8Very high94.4Very high1 Ų128.1 Ų28.11%0.00515%0.146CC..Hα-helixtrans-60.7-43.7176.4179.861000112I179 R180 T181 L186 L187 V260 L264 L303 L327I179-L183 WeakPolarHBondContact O-CB 3.48Å; I179-L183 PolarHBondContact O-N 3.48Å; R180-L183 PolarHBondContact O-N 3.36Å; T181-L183 VanDerWaalsContact C-N 3.35Å; L183-L186 PolarHBondContact O-N 3.35Å; L183-L187 HydrophobicContact CD1-CD1 4.09Å; L183-L187 HydrophobicContact CD1-CG 4.04Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 HydrophobicContact CG-CG 4.33Å; L183-L187 WeakPolarHBondContact O-CB 3.25Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 3.18Å; L183-V260 HydrophobicContact CD1-CG1 3.72Å; L183-L264 HydrophobicContact CD1-CD2 4.48Å; L183-L264 HydrophobicContact CD2-CD1 4.04Å; L183-L264 HydrophobicContact CD2-CD2 3.76Å; L183-L303 HydrophobicContact CD2-CD1 4.22Å; L183-L327 HydrophobicContact CD2-CD1 3.76Å; L183-L327 HydrophobicContact CD2-CD2 4.07Å; L183-L327 HydrophobicContact CD2-CG 4.5Å; L183-L327 HydrophobicContact CG-CD1 4.11Å
184I97.9Very high95.3Very high0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-61.1-48.4178.8-74.5158000111.5R180 T181 F182 L187 H188 L322 L327 Y330 A331 R334R180-I184 VanDerWaalsContact O-CD1 3.26Å; R180-I184 WeakPolarHBondContact O-CD1 3.45Å; R180-I184 WeakPolarHBondContact O-CG1 3.24Å; R180-I184 PolarHBondContact O-N 3.03Å; T181-I184 PolarHBondContact O-N 3.13Å; F182-I184 PolarHBondContact O-N 2.84Å; I184-L187 PolarHBondContact O-N 3.1Å; I184-H188 PolarHBondContact O-CD2 3.12Å; I184-H188 VanDerWaalsContact O-CD2 3.28Å; I184-H188 PolarHBondContact O-N 2.83Å; I184-L322 HydrophobicContact CG2-CD2 4.38Å; I184-L327 HydrophobicContact CD1-CD2 4.48Å; I184-L327 HydrophobicContact CG1-CB 4.42Å; I184-L327 HydrophobicContact CG1-CD2 4.3Å; I184-Y330 VanDerWaalsContact CD1-CB 3.49Å; I184-A331 HydrophobicContact CD1-CB 4.22Å; I184-A331 HydrophobicContact CG1-CB 4.22Å; I184-A331 HydrophobicContact CG2-CB 4.24Å; I184-R334 HydrophobicContact CB-CG 4.41Å; I184-R334 HydrophobicContact CG2-CB 3.9Å; I184-R334 HydrophobicContact CG2-CG 3.76Å
185D98Very high95.9Very high1 Ų128.6 Ų28.61%0.00514%0.142CC..Hα-helixtrans-61.4-44.7178.5-82.37.6000111.4N139 T181 F182 H188 A189 V216 R334N139-D185 VanDerWaalsContact CB-O 3.27Å; N139-D185 WeakPolarHBondContact CB-O 3.35Å; N139-D185 VanDerWaalsContact ND2-CB 3.26Å; N139-D185 WeakPolarHBondContact ND2-CB 3.45Å; N139-D185 PolarHBondContact ND2-OD2 3.33Å; T181-D185 PolarHBondContact O-N 3.34Å; T181-D185 VanDerWaalsContact O-N 3.16Å; F182-D185 PolarHBondContact O-N 2.97Å; D185-H188 PolarHBondContact O-N 3.5Å; D185-A189 PolarHBondContact O-N 3.28Å; D185-V216 HydrophobicContact CB-CB 3.59Å; D185-V216 HydrophobicContact CB-CG1 4.15Å; D185-V216 PolarHBondContact OD2-N 3.49Å; D185-R334 WeakPolarHBondContact OD1-CG 3.44Å; D185-R334 IonicContact OD1-CZ 3.01Å; D185-R334 IonicContact OD1-NE 3.58Å; D185-R334 PolarHBondContact OD1-NE 2.85Å; D185-R334 IonicContact OD1-NH2 3.93Å; D185-R334 IonicContact OD2-CZ 3.68Å; D185-R334 IonicContact OD2-NE 2.82Å; D185-R334 PolarHBondContact OD2-NE 3.4Å; D185-R334 IonicContact OD2-NH2 2.85Å; D185-R334 PolarHBondContact OD2-NH2 2.55Å
186L98.6Very high96.2Very high3 Ų329.5 Ų29.52%0.01614%0.139CC..Hα-helixtrans-60.8-46.1175.7-179.759.8000111.2F182 L183 H188 A189 V190 I203 I208 V216 L218 V260F182-L186 WeakPolarHBondContact O-CB 3.45Å; F182-L186 PolarHBondContact O-N 2.92Å; L183-L186 PolarHBondContact O-N 3.35Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 3.09Å; L186-A189 WeakPolarHBondContact O-CA 3.41Å; L186-A189 VanDerWaalsContact O-CB 3.3Å; L186-A189 WeakPolarHBondContact O-CB 3.25Å; L186-A189 PolarHBondContact O-N 3.24Å; L186-A189 VanDerWaalsContact O-N 3.09Å; L186-V190 HydrophobicContact CD1-CG2 4.22Å; L186-V190 HydrophobicContact CG-CG2 4.41Å; L186-V190 VanDerWaalsContact O-CG2 3.31Å; L186-V190 WeakPolarHBondContact O-CG2 3.37Å; L186-V190 PolarHBondContact O-N 2.94Å; L186-I203 HydrophobicContact CD1-CG2 4.38Å; L186-I203 HydrophobicContact CD2-CG2 4.46Å; L186-I208 HydrophobicContact CD1-CD1 4.09Å; L186-I208 HydrophobicContact CD1-CG1 4.1Å; L186-I208 HydrophobicContact CD2-CD1 3.82Å; L186-V216 HydrophobicContact CB-CG1 4.31Å; L186-L218 HydrophobicContact CD1-CD1 4.27Å; L186-V260 HydrophobicContact CD2-CG1 4.18Å; L186-V260 HydrophobicContact CD2-CG2 4.1Å; L186-V260 HydrophobicContact CG-CG2 4.31Å
187L98.6Very high96.4Very high1 Ų126.6 Ų26.61%0.00513%0.127CC..Hα-helixtrans-62.2-35.9177.3-72.3172.8000112.3L183 I184 K191 V260 V318 L321 L322 L327L183-L187 HydrophobicContact CD1-CD1 4.09Å; L183-L187 HydrophobicContact CD1-CG 4.04Å; L183-L187 HydrophobicContact CG-CD1 3.95Å; L183-L187 HydrophobicContact CG-CG 4.33Å; L183-L187 WeakPolarHBondContact O-CB 3.25Å; L183-L187 WeakPolarHBondContact O-CG 3.36Å; L183-L187 PolarHBondContact O-N 3.18Å; I184-L187 PolarHBondContact O-N 3.1Å; L187-K191 WeakPolarHBondContact O-CB 3.45Å; L187-K191 PolarHBondContact O-N 3.31Å; L187-V260 HydrophobicContact CD2-CG1 4.22Å; L187-V318 HydrophobicContact CD2-CB 4.2Å; L187-V318 HydrophobicContact CD2-CG1 3.97Å; L187-L321 HydrophobicContact CD1-CB 3.88Å; L187-L321 HydrophobicContact CD2-CB 4.15Å; L187-L321 HydrophobicContact CD2-CD1 3.79Å; L187-L322 HydrophobicContact CB-CD1 4.33Å; L187-L322 HydrophobicContact CB-CD2 3.78Å; L187-L322 HydrophobicContact CB-CG 3.89Å; L187-L322 HydrophobicContact CD1-CD2 4.16Å; L187-L322 HydrophobicContact CD1-CG 4.24Å; L187-L327 HydrophobicContact CD1-CD1 3.61Å
188H98.2Very high96.7Very high43 Ų4322.3 Ų22.320%0.19911%0.105CC..Hα-helixtrans-65.5-40.3172.3-83.2-60.8000112.3I184 D185 L186 H192 T335I184-H188 PolarHBondContact O-CD2 3.12Å; I184-H188 VanDerWaalsContact O-CD2 3.28Å; I184-H188 PolarHBondContact O-N 2.83Å; D185-H188 PolarHBondContact O-N 3.5Å; L186-H188 VanDerWaalsContact C-N 3.29Å; L186-H188 PolarHBondContact O-N 3.09Å; H188-H192 PolarHBondContact O-N 3.44Å; H188-T335 PolarHBondContact NE2-OG1 3.26Å
189A98.4Very high97Very high0 Ų020.2 Ų20.20%010%0.096CC..Hα-helixtrans-60.9-49.9173.600000111.8N139 I140 D185 L186 K191 H192 L193 L218N139-A189 HydrophobicContact CB-CB 3.81Å; N139-A189 WeakPolarHBondContact O-CB 3.45Å; I140-A189 HydrophobicContact CD1-CB 3.91Å; D185-A189 PolarHBondContact O-N 3.28Å; L186-A189 WeakPolarHBondContact O-CA 3.41Å; L186-A189 VanDerWaalsContact O-CB 3.3Å; L186-A189 WeakPolarHBondContact O-CB 3.25Å; L186-A189 PolarHBondContact O-N 3.24Å; L186-A189 VanDerWaalsContact O-N 3.09Å; A189-K191 PolarHBondContact O-N 2.84Å; A189-H192 VanDerWaalsContact O-CB 3.3Å; A189-H192 WeakPolarHBondContact O-CB 3.45Å; A189-H192 PolarHBondContact O-N 2.9Å; A189-H192 VanDerWaalsContact O-N 3.16Å; A189-L193 PolarHBondContact O-N 2.95Å; A189-L218 HydrophobicContact CB-CB 3.75Å; A189-L218 HydrophobicContact CB-CD2 4.26Å
190V98.7Very high97.1Very high0 Ų020.1 Ų20.10%010%0.095CC..Hα-helixtrans-64.9-42.2-179.5-179.80000110.7L186 H192 L193 H194 I203 L218 D256 V260 V318L186-V190 HydrophobicContact CD1-CG2 4.22Å; L186-V190 HydrophobicContact CG-CG2 4.41Å; L186-V190 VanDerWaalsContact O-CG2 3.31Å; L186-V190 WeakPolarHBondContact O-CG2 3.37Å; L186-V190 PolarHBondContact O-N 2.94Å; V190-H192 VanDerWaalsContact C-N 3.26Å; V190-H192 PolarHBondContact O-N 2.85Å; V190-L193 WeakPolarHBondContact O-CB 3.34Å; V190-L193 PolarHBondContact O-N 3.15Å; V190-L193 VanDerWaalsContact O-N 3.12Å; V190-H194 WeakPolarHBondContact CG1-CE1 3.49Å; V190-H194 VanDerWaalsContact CG1-NE2 3.34Å; V190-H194 WeakPolarHBondContact CG1-NE2 3.38Å; V190-H194 PolarHBondContact O-CD2 2.93Å; V190-H194 PolarHBondContact O-N 2.86Å; V190-I203 HydrophobicContact CG1-CD1 4.48Å; V190-I203 HydrophobicContact CG2-CD1 3.69Å; V190-L218 HydrophobicContact CG2-CD2 4.26Å; V190-D256 HydrophobicContact CG1-CB 4.08Å; V190-V260 HydrophobicContact CG2-CG2 4.08Å; V190-V318 HydrophobicContact CB-CG1 4.18Å; V190-V318 HydrophobicContact CG1-CG1 3.69Å
191K98.4Very high97.1Very high53 Ų5319.6 Ų19.623%0.239%0.094CC..Hα-helixtrans-56.5-41.4173.4178.4169.8173.254.90112.1L187 A189 L193 H194 D195 V318 S319 L322L187-K191 WeakPolarHBondContact O-CB 3.45Å; L187-K191 PolarHBondContact O-N 3.31Å; A189-K191 PolarHBondContact O-N 2.84Å; K191-L193 VanDerWaalsContact C-N 3.26Å; K191-L193 PolarHBondContact O-N 2.85Å; K191-H194 PolarHBondContact O-N 3.14Å; K191-D195 VanDerWaalsContact CE-OD2 3.23Å; K191-D195 WeakPolarHBondContact CE-OD2 3.5Å; K191-D195 WeakPolarHBondContact CG-OD2 3.3Å; K191-D195 IonicContact NZ-OD1 3.66Å; K191-D195 PolarHBondContact NZ-OD1 3.27Å; K191-D195 IonicContact NZ-OD2 2.67Å; K191-D195 PolarHBondContact NZ-OD2 2.88Å; K191-D195 WeakPolarHBondContact O-CB 3.26Å; K191-D195 PolarHBondContact O-N 3.45Å; K191-V318 HydrophobicContact CB-CG2 3.74Å; K191-V318 HydrophobicContact CG-CG2 4.28Å; K191-S319 PolarHBondContact NZ-OG 3.44Å; K191-L322 HydrophobicContact CD-CD1 4.06Å
192H98.1Very high97.1Very high13 Ų1318.6 Ų18.66%0.069%0.087CC..Hα-helixtrans-57.9-39.7178.4-179.685.6000112.4P135 H137 H188 A189 V190 R196P135-H192 PolarHBondContact O-CE1 3.01Å; P135-H192 VanDerWaalsContact O-CE1 3.26Å; P135-H192 PolarHBondContact O-NE2 3.46Å; P135-H192 VanDerWaalsContact O-NE2 3.15Å; H137-H192 AromaticContact CD2-CG 3.95Å; H137-H192 AromaticContact CD2-ND1 3.55Å; H137-H192 AromaticContact CG-CG 3.88Å; H137-H192 AromaticContact CG-ND1 3.76Å; H188-H192 PolarHBondContact O-N 3.44Å; A189-H192 VanDerWaalsContact O-CB 3.3Å; A189-H192 WeakPolarHBondContact O-CB 3.45Å; A189-H192 PolarHBondContact O-N 2.9Å; A189-H192 VanDerWaalsContact O-N 3.16Å; V190-H192 VanDerWaalsContact C-N 3.26Å; V190-H192 PolarHBondContact O-N 2.85Å; H192-R196 VanDerWaalsContact CE1-CZ 3.41Å; H192-R196 PolarHBondContact ND1-NH1 3.37Å; H192-R196 WeakPolarHBondContact O-CD 3.34Å; H192-R196 PolarHBondContact O-NH1 3.46Å
193L98Very high97.2Very high0 Ų018.2 Ų18.20%09%0.086CC..Hα-helixtrans-71.5-50.4175.3-55.8-179000111.6L134 I140 A189 V190 K191 D195 R196 G197 Y198 H200 L218 F221 M224L134-L193 HydrophobicContact CD1-CD2 3.53Å; L134-L193 HydrophobicContact CD2-CD2 3.92Å; L134-L193 HydrophobicContact CG-CD2 4.4Å; I140-L193 HydrophobicContact CD1-CD2 4.32Å; A189-L193 PolarHBondContact O-N 2.95Å; V190-L193 WeakPolarHBondContact O-CB 3.34Å; V190-L193 PolarHBondContact O-N 3.15Å; V190-L193 VanDerWaalsContact O-N 3.12Å; K191-L193 VanDerWaalsContact C-N 3.26Å; K191-L193 PolarHBondContact O-N 2.85Å; L193-D195 VanDerWaalsContact C-N 3.35Å; L193-D195 PolarHBondContact O-N 2.89Å; L193-R196 CarbonylContact O-C 3.6Å; L193-R196 WeakPolarHBondContact O-CA 3.27Å; L193-R196 PolarHBondContact O-N 2.59Å; L193-G197 PolarHBondContact O-N 3.22Å; L193-Y198 CarbonylContact C-O 3.6Å; L193-Y198 VanDerWaalsContact C-O 3.31Å; L193-Y198 PolarHBondContact O-N 3.18Å; L193-H200 HydrophobicContact CD1-CB 3.95Å; L193-L218 HydrophobicContact CD1-CD2 4.09Å; L193-F221 HydrophobicContact CD1-CE1 4.1Å; L193-F221 HydrophobicContact CD2-CE1 4.03Å; L193-M224 HydrophobicContact CD2-SD 3.92Å
194H98.1Very high97.1Very high6 Ų619.5 Ų19.53%0.0289%0.091CC..Hα-helixtrans-60-43.2-175.9-75.1-170000112.1V190 K191 R196 G197 Y198 Q253 D256 V318V190-H194 WeakPolarHBondContact CG1-CE1 3.49Å; V190-H194 VanDerWaalsContact CG1-NE2 3.34Å; V190-H194 WeakPolarHBondContact CG1-NE2 3.38Å; V190-H194 PolarHBondContact O-CD2 2.93Å; V190-H194 PolarHBondContact O-N 2.86Å; K191-H194 PolarHBondContact O-N 3.14Å; H194-R196 PolarHBondContact O-N 3.01Å; H194-G197 PolarHBondContact O-N 3.08Å; H194-Y198 PolarHBondContact CD2-O 3.41Å; H194-Y198 VanDerWaalsContact CD2-O 3.31Å; H194-Y198 PolarHBondContact N-O 2.81Å; H194-Q253 HydrophobicContact CB-CG 4.1Å; H194-Q253 PolarHBondContact CE1-O 3.23Å; H194-Q253 PolarHBondContact O-NE2 3Å; H194-D256 IonicContact CD2-OD2 3.88Å; H194-D256 IonicContact CE1-OD2 2.8Å; H194-D256 IonicContact NE2-OD2 2.79Å; H194-D256 PolarHBondContact NE2-OD2 2.97Å; H194-V318 HydrophobicContact CB-CG2 4.49Å
195D97.4Very high96.9Very high97 Ų9719.7 Ų19.752%0.5199%0.092SC..THydrogen-bonded Turntrans-60.9-15.9177.2-72.2-9.5000112.7K191 L193K191-D195 VanDerWaalsContact CE-OD2 3.23Å; K191-D195 WeakPolarHBondContact CE-OD2 3.5Å; K191-D195 WeakPolarHBondContact CG-OD2 3.3Å; K191-D195 IonicContact NZ-OD1 3.66Å; K191-D195 PolarHBondContact NZ-OD1 3.27Å; K191-D195 IonicContact NZ-OD2 2.67Å; K191-D195 PolarHBondContact NZ-OD2 2.88Å; K191-D195 WeakPolarHBondContact O-CB 3.26Å; K191-D195 PolarHBondContact O-N 3.45Å; L193-D195 VanDerWaalsContact C-N 3.35Å; L193-D195 PolarHBondContact O-N 2.89Å
196R95.7Very high96.7Very high103 Ų10322.6 Ų22.639%0.38911%0.108SC..THydrogen-bonded Turntrans-108.37.1178.8-71.4165.5179.868.86.7113.4P135 H192 L193 H194 Y198P135-R196 VanDerWaalsContact CD-NE 3.26Å; H192-R196 VanDerWaalsContact CE1-CZ 3.41Å; H192-R196 PolarHBondContact ND1-NH1 3.37Å; H192-R196 WeakPolarHBondContact O-CD 3.34Å; H192-R196 PolarHBondContact O-NH1 3.46Å; L193-R196 CarbonylContact O-C 3.6Å; L193-R196 WeakPolarHBondContact O-CA 3.27Å; L193-R196 PolarHBondContact O-N 2.59Å; H194-R196 PolarHBondContact O-N 3.01Å; R196-Y198 VanDerWaalsContact C-N 3.31Å; R196-Y198 HydrophobicContact CB-CD2 3.8Å; R196-Y198 HydrophobicContact CB-CE2 4.21Å
197G95.1Very high96.6Very high13 Ų1323 Ų2313%0.13411%0.11CC..THydrogen-bonded Turntrans76.616.7-17900000114.1L193 H194 L227L193-G197 PolarHBondContact O-N 3.22Å; H194-G197 PolarHBondContact O-N 3.08Å; G197-L227 WeakPolarHBondContact O-CB 3.42Å; G197-L227 PolarHBondContact O-N 2.88Å
198Y96.1Very high96.6Very high32 Ų3223 Ų2313%0.12511%0.11CC..EExtended strand (participates in β ladder)trans-99.2148173.4-66.6-74.2000111.5K130 L134 L193 H194 R196 M224 F225 N226K130-Y198 HydrophobicContact CB-CE1 4.28Å; K130-Y198 HydrophobicContact CD-CE1 4.36Å; K130-Y198 HydrophobicContact CG-CE1 4.11Å; L134-Y198 HydrophobicContact CD2-CD2 3.94Å; L134-Y198 HydrophobicContact CD2-CE2 4.2Å; L193-Y198 CarbonylContact C-O 3.6Å; L193-Y198 VanDerWaalsContact C-O 3.31Å; L193-Y198 PolarHBondContact O-N 3.18Å; H194-Y198 PolarHBondContact CD2-O 3.41Å; H194-Y198 VanDerWaalsContact CD2-O 3.31Å; H194-Y198 PolarHBondContact N-O 2.81Å; R196-Y198 VanDerWaalsContact C-N 3.31Å; R196-Y198 HydrophobicContact CB-CD2 3.8Å; R196-Y198 HydrophobicContact CB-CE2 4.21Å; Y198-M224 HydrophobicContact CD1-CE 4.38Å; Y198-M224 HydrophobicContact CD1-CG 4.11Å; Y198-M224 HydrophobicContact CD1-SD 4.14Å; Y198-M224 HydrophobicContact CG-CG 4.37Å; Y198-M224 HydrophobicContact CG-SD 4.05Å; Y198-F225 WeakPolarHBondContact CA-O 3.12Å; Y198-N226 HydrophobicContact CD1-CB 3.98Å; Y198-N226 HydrophobicContact CE1-CB 3.67Å
199V95.9Very high96.6Very high0 Ų023.6 Ų23.60%011%0.112CC..EExtended strand (participates in β ladder)trans-124.5144.9166.4-67.50000109.1L201 M224 F225 L227 V251 Q253 D256V199-L201 HydrophobicContact CB-CD2 4.41Å; V199-L201 HydrophobicContact CG2-CD1 4.33Å; V199-L201 HydrophobicContact CG2-CD2 3.91Å; V199-L201 HydrophobicContact CG2-CG 3.91Å; V199-M224 CarbonylContact O-C 3.46Å; V199-M224 VanDerWaalsContact O-CA 3.29Å; V199-M224 WeakPolarHBondContact O-CA 3.44Å; V199-M224 WeakPolarHBondContact O-CG 2.87Å; V199-F225 HydrophobicContact CG2-CB 3.97Å; V199-F225 HydrophobicContact CG2-CD1 4.19Å; V199-F225 PolarHBondContact N-O 3.12Å; V199-F225 PolarHBondContact O-N 3.32Å; V199-L227 HydrophobicContact CG1-CD1 3.83Å; V199-L227 HydrophobicContact CG1-CD2 4Å; V199-L227 HydrophobicContact CG1-CG 4Å; V199-L227 HydrophobicContact CG2-CD2 3.92Å; V199-L227 HydrophobicContact CG2-CG 4.33Å; V199-V251 HydrophobicContact CG2-CG1 4.1Å; V199-Q253 HydrophobicContact CG1-CG 4.22Å; V199-D256 VanDerWaalsContact CA-OD2 3.26Å; V199-D256 WeakPolarHBondContact CA-OD2 3.31Å; V199-D256 WeakPolarHBondContact CB-OD2 3.27Å
200H96Very high96.5Very high0 Ų023.9 Ų23.90%011%0.114CC..  trans-82.2-40.5-173.8-169.4-65.1000112.8L193 D202 I203 L218 G219 D220 F221 L223 D256L193-H200 HydrophobicContact CD1-CB 3.95Å; H200-D202 PolarHBondContact CE1-O 3.11Å; H200-D202 PolarHBondContact ND1-N 2.89Å; H200-D202 PolarHBondContact O-N 2.64Å; H200-D202 VanDerWaalsContact O-N 3.09Å; H200-I203 HydrophobicContact CB-CD1 4.03Å; H200-I203 HydrophobicContact CB-CG1 3.81Å; H200-L218 VanDerWaalsContact CD2-CD2 3.46Å; H200-L218 WeakPolarHBondContact CD2-CD2 3.48Å; H200-G219 PolarHBondContact NE2-O 2.92Å; H200-D220 PolarHBondContact CE1-O 3.09Å; H200-D220 PolarHBondContact NE2-O 3.36Å; H200-F221 AromaticContact CD2-CD1 3.97Å; H200-F221 AromaticContact CD2-CE1 3.86Å; H200-L223 CarbonylContact O-C 3.45Å; H200-D256 PolarHBondContact N-OD1 2.83Å; H200-D256 PolarHBondContact N-OD2 3.21Å
201L94.1Very high96.1Very high9 Ų924.3 Ų24.35%0.04712%0.116CC..SBendtrans64.40.4-179.5-56.3179.2000116.9V199 L223 F225 G237 V251 C255 D256V199-L201 HydrophobicContact CB-CD2 4.41Å; V199-L201 HydrophobicContact CG2-CD1 4.33Å; V199-L201 HydrophobicContact CG2-CD2 3.91Å; V199-L201 HydrophobicContact CG2-CG 3.91Å; L201-L223 HydrophobicContact CB-CB 4.45Å; L201-F225 HydrophobicContact CD1-CB 3.7Å; L201-F225 HydrophobicContact CD1-CG 4.5Å; L201-G237 WeakPolarHBondContact O-CA 3.39Å; L201-V251 HydrophobicContact CD2-CG1 4.02Å; L201-C255 HydrophobicContact CD2-CB 4.48Å; L201-D256 PolarHBondContact N-OD1 2.96Å
202D94.5Very high95.6Very high7 Ų729.3 Ų29.34%0.03714%0.141CC..  trans-143.938.7-179.7-153.738.6000111.8H200 K204 N207 L223 D238H200-D202 PolarHBondContact CE1-O 3.11Å; H200-D202 PolarHBondContact ND1-N 2.89Å; H200-D202 PolarHBondContact O-N 2.64Å; H200-D202 VanDerWaalsContact O-N 3.09Å; D202-K204 PolarHBondContact O-N 3.33Å; D202-K204 IonicContact OD1-NZ 2.8Å; D202-K204 WeakPolarHBondContact OD2-CE 3.3Å; D202-K204 IonicContact OD2-NZ 3.63Å; D202-N207 PolarHBondContact O-ND2 3.4Å; D202-N207 PolarHBondContact OD2-ND2 3.41Å; D202-L223 HydrophobicContact CB-CB 4.41Å; D202-L223 HydrophobicContact CB-CD1 4.01Å; D202-L223 HydrophobicContact CB-CG 4.48Å; D202-D238 WeakPolarHBondContact OD1-CB 3.4Å; D202-D238 PolarHBondContact OD1-N 3.37Å; D202-D238 VanDerWaalsContact OD1-N 3.12Å
203I97.7Very high94.9Very high0 Ų031.6 Ų31.60%015%0.151CC..  trans-73.7115.3174.2-65.9161.1000108L186 V190 H200 I208 L218 D256 S259 V260L186-I203 HydrophobicContact CD1-CG2 4.38Å; L186-I203 HydrophobicContact CD2-CG2 4.46Å; V190-I203 HydrophobicContact CG1-CD1 4.48Å; V190-I203 HydrophobicContact CG2-CD1 3.69Å; H200-I203 HydrophobicContact CB-CD1 4.03Å; H200-I203 HydrophobicContact CB-CG1 3.81Å; I203-I208 HydrophobicContact CG2-CD1 4.29Å; I203-L218 HydrophobicContact CG1-CD1 4.16Å; I203-L218 HydrophobicContact CG1-CD2 4.26Å; I203-D256 HydrophobicContact CD1-CB 3.54Å; I203-S259 WeakPolarHBondContact O-CB 3.46Å; I203-V260 HydrophobicContact CD1-CG2 4.22Å; I203-V260 HydrophobicContact CG2-CG2 4.15Å
204K95.3Very high94.4Very high29 Ų2933 Ų3313%0.12617%0.166CC..SBendtrans-156.7162176.456176.9165.8178.40110.1D202 D206 N207 I208 D238 Y241D202-K204 PolarHBondContact O-N 3.33Å; D202-K204 IonicContact OD1-NZ 2.8Å; D202-K204 WeakPolarHBondContact OD2-CE 3.3Å; D202-K204 IonicContact OD2-NZ 3.63Å; K204-D206 HydrophobicContact CD-CB 4.36Å; K204-D206 HydrophobicContact CG-CB 4.33Å; K204-D206 PolarHBondContact O-N 3.4Å; K204-D206 VanDerWaalsContact O-N 3.1Å; K204-N207 HydrophobicContact CG-CB 4.3Å; K204-N207 PolarHBondContact O-N 3.27Å; K204-I208 WeakPolarHBondContact O-CG1 3.48Å; K204-I208 PolarHBondContact O-N 2.94Å; K204-D238 HydrophobicContact CD-CB 4.14Å; K204-D238 IonicContact NZ-OD2 2.68Å; K204-D238 PolarHBondContact NZ-OD2 2.69Å; K204-Y241 HydrophobicContact CB-CD1 4.01Å; K204-Y241 HydrophobicContact CB-CD2 3.49Å; K204-Y241 VanDerWaalsContact CB-CD2 3.49Å; K204-Y241 HydrophobicContact CB-CE1 4Å; K204-Y241 HydrophobicContact CB-CE2 3.46Å; K204-Y241 VanDerWaalsContact CB-CE2 3.46Å; K204-Y241 HydrophobicContact CB-CG 3.77Å; K204-Y241 HydrophobicContact CD-CD2 4.12Å; K204-Y241 HydrophobicContact CD-CE2 4.09Å; K204-Y241 HydrophobicContact CG-CD2 4.44Å; K204-Y241 HydrophobicContact CG-CE2 4.45Å
205P94.8Very high94.1Very high3 Ų332.7 Ų32.72%0.01916%0.164CC..G310 helixtrans-52.3-32.2-179.8-29.737.8000115.1L164 T165 N207 I208 Y241 T263 E266L164-P205 HydrophobicContact CB-CB 4.03Å; L164-P205 WeakPolarHBondContact CB-O 3.33Å; L164-P205 HydrophobicContact CD2-CB 4.15Å; L164-P205 HydrophobicContact CD2-CG 4.43Å; L164-P205 HydrophobicContact CG-CB 4.12Å; L164-P205 PolarHBondContact N-O 3.19Å; L164-P205 VanDerWaalsContact N-O 3.15Å; T165-P205 PolarHBondContact N-O 3.15Å; T165-P205 VanDerWaalsContact OG1-C 3.31Å; T165-P205 WeakPolarHBondContact OG1-CB 3.35Å; P205-N207 VanDerWaalsContact C-N 3.27Å; P205-N207 PolarHBondContact O-N 2.85Å; P205-I208 PolarHBondContact O-N 3.5Å; P205-Y241 WeakPolarHBondContact CD-OH 3.49Å; P205-T263 HydrophobicContact CG-CG2 4.03Å; P205-E266 VanDerWaalsContact CG-OE2 3.27Å; P205-E266 WeakPolarHBondContact CG-OE2 3.48Å
206D93.9Very high94.2Very high62 Ų6228.1 Ų28.133%0.33214%0.14SC..G310 helixtrans-66.3-28.6178.4-54-75000113.5N163 T165 K204N163-D206 WeakPolarHBondContact CB-O 3.15Å; T165-D206 WeakPolarHBondContact CB-OD1 3.45Å; T165-D206 PolarHBondContact OG1-N 3.21Å; T165-D206 VanDerWaalsContact OG1-N 3.15Å; T165-D206 PolarHBondContact OG1-OD1 2.93Å; K204-D206 HydrophobicContact CD-CB 4.36Å; K204-D206 HydrophobicContact CG-CB 4.33Å; K204-D206 PolarHBondContact O-N 3.4Å; K204-D206 VanDerWaalsContact O-N 3.1Å
207N96.3Very high94.3Very high12 Ų1223.8 Ų23.86%0.06412%0.124CC..G310 helixtrans-99.63.1-178.6-69.1-17.1000112.5D202 K204 P205 F209 G219 D220D202-N207 PolarHBondContact O-ND2 3.4Å; D202-N207 PolarHBondContact OD2-ND2 3.41Å; K204-N207 HydrophobicContact CG-CB 4.3Å; K204-N207 PolarHBondContact O-N 3.27Å; P205-N207 VanDerWaalsContact C-N 3.27Å; P205-N207 PolarHBondContact O-N 2.85Å; N207-F209 WeakPolarHBondContact O-CD2 3.3Å; N207-F209 WeakPolarHBondContact O-CE2 3.46Å; N207-G219 PolarHBondContact O-N 3.01Å; N207-D220 HydrophobicContact CB-CB 4.39Å
208I98.2Very high94.4Very high2 Ų223.2 Ų23.21%0.0112%0.118CC..EExtended strand (participates in β ladder)trans-105.3118.6176.5-64.2164.8000107.5N163 L164 L186 I203 K204 P205 V216 L218 T263N163-I208 CarbonylContact C-O 3.55Å; N163-I208 VanDerWaalsContact CA-O 3.25Å; N163-I208 WeakPolarHBondContact CA-O 3.45Å; L164-I208 HydrophobicContact CB-CB 3.99Å; L164-I208 HydrophobicContact CB-CG2 4.05Å; L164-I208 HydrophobicContact CD2-CB 4.29Å; L164-I208 HydrophobicContact CD2-CD1 4.11Å; L164-I208 HydrophobicContact CD2-CG2 4.09Å; L164-I208 PolarHBondContact N-O 3.33Å; L186-I208 HydrophobicContact CD1-CD1 4.09Å; L186-I208 HydrophobicContact CD1-CG1 4.1Å; L186-I208 HydrophobicContact CD2-CD1 3.82Å; I203-I208 HydrophobicContact CG2-CD1 4.29Å; K204-I208 WeakPolarHBondContact O-CG1 3.48Å; K204-I208 PolarHBondContact O-N 2.94Å; P205-I208 PolarHBondContact O-N 3.5Å; I208-V216 HydrophobicContact CG2-CG1 3.51Å; I208-V216 HydrophobicContact CG2-CG2 4.47Å; I208-L218 HydrophobicContact CG1-CD1 4.23Å; I208-T263 HydrophobicContact CD1-CG2 3.58Å
209F98Very high94.4Very high54 Ų5421.7 Ų21.724%0.23711%0.112CC..EExtended strand (participates in β ladder)trans-109.2147.3-173.3-61.8-87000112.1V141 C160 N163 N207 V216 K217V141-F209 HydrophobicContact CG2-CB 4.41Å; V141-F209 HydrophobicContact CG2-CD2 3.74Å; V141-F209 HydrophobicContact CG2-CE2 4.43Å; V141-F209 HydrophobicContact CG2-CG 4.3Å; C160-F209 HydrophobicContact CB-CB 3.6Å; C160-F209 HydrophobicContact CB-CD1 4.21Å; C160-F209 HydrophobicContact CB-CG 4.22Å; N163-F209 HydrophobicContact CB-CD1 4.06Å; N163-F209 HydrophobicContact CB-CE1 4.06Å; N207-F209 WeakPolarHBondContact O-CD2 3.3Å; N207-F209 WeakPolarHBondContact O-CE2 3.46Å; F209-V216 CarbonylContact O-C 3.58Å; F209-V216 VanDerWaalsContact O-CA 3.3Å; F209-V216 WeakPolarHBondContact O-CA 3.23Å; F209-K217 PolarHBondContact N-O 2.8Å; F209-K217 PolarHBondContact O-N 3.05Å
210L95.8Very high94.2Very high6 Ų623.8 Ų23.83%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-110.9133.1175.7-69.8165000110.1E161 R162 L164 Y167 F182 I215 V216E161-L210 WeakPolarHBondContact CB-O 3.46Å; E161-L210 PolarHBondContact N-O 2.72Å; R162-L210 PolarHBondContact O-N 3.03Å; L164-L210 HydrophobicContact CD1-CD1 4.46Å; Y167-L210 HydrophobicContact CD1-CD1 3.98Å; Y167-L210 HydrophobicContact CD2-CD1 3.44Å; Y167-L210 VanDerWaalsContact CD2-CD1 3.44Å; Y167-L210 HydrophobicContact CE2-CD1 4.16Å; Y167-L210 HydrophobicContact CG-CD1 3.35Å; F182-L210 HydrophobicContact CD1-CD2 4.08Å; F182-L210 HydrophobicContact CE1-CD2 3.59Å; F182-L210 HydrophobicContact CE2-CD1 4.42Å; F182-L210 HydrophobicContact CE2-CD2 4.31Å; F182-L210 HydrophobicContact CZ-CD1 4.19Å; F182-L210 HydrophobicContact CZ-CD2 3.72Å; L210-I215 WeakPolarHBondContact CA-O 3.49Å; L210-V216 HydrophobicContact CD2-CB 4.47Å; L210-V216 HydrophobicContact CD2-CG2 3.36Å; L210-V216 HydrophobicContact CG-CG2 4.42Å
211T91.5Very high94Very high9 Ų923.8 Ų23.86%0.05512%0.123CC..  trans-84163.1167.5800000110.9E213 G214 I215 K217T211-E213 VanDerWaalsContact CB-OE2 3.27Å; T211-E213 WeakPolarHBondContact CB-OE2 3.42Å; T211-E213 PolarHBondContact O-N 3.01Å; T211-E213 PolarHBondContact OG1-N 2.77Å; T211-E213 PolarHBondContact OG1-OE2 3.3Å; T211-G214 PolarHBondContact O-N 2.96Å; T211-I215 HydrophobicContact CG2-CB 4.28Å; T211-I215 PolarHBondContact N-O 3.15Å; T211-I215 PolarHBondContact OG1-N 2.83Å; T211-K217 HydrophobicContact CG2-CD 4.05Å; T211-K217 HydrophobicContact CG2-CG 4.25Å
212E86.8Confident93.8Very high158 Ų15823.9 Ų23.974%0.73813%0.126SC*.THydrogen-bonded Turntrans-55.8-24.1175.9-64-179.8174.700113.4E161 G214E161-E212 HydrophobicContact CB-CG 4.22Å; E161-E212 HydrophobicContact CG-CG 4.31Å; E161-E212 WeakPolarHBondContact OE2-CA 3.43Å; E212-G214 VanDerWaalsContact C-N 3.31Å
213E83.8Confident93.6Very high61 Ų6124.5 Ų24.529%0.28513%0.129SC..THydrogen-bonded Turntrans-90.38.6177.3-4889.6160.600113.4T211 Y337 R341 R345T211-E213 VanDerWaalsContact CB-OE2 3.27Å; T211-E213 WeakPolarHBondContact CB-OE2 3.42Å; T211-E213 PolarHBondContact O-N 3.01Å; T211-E213 PolarHBondContact OG1-N 2.77Å; T211-E213 PolarHBondContact OG1-OE2 3.3Å; E213-Y337 PolarHBondContact O-OH 2.95Å; E213-R341 IonicContact OE1-NE 2.77Å; E213-R341 IonicContact OE1-NH2 3.76Å; E213-R341 IonicContact OE2-CZ 3.52Å; E213-R341 IonicContact OE2-NE 2.77Å; E213-R341 IonicContact OE2-NH2 3.47Å; E213-R341 PolarHBondContact OE2-NH2 3.44Å; E213-R345 IonicContact OE1-CZ 2.72Å; E213-R345 IonicContact OE1-NE 3.51Å; E213-R345 PolarHBondContact OE1-NE 3.42Å; E213-R345 IonicContact OE1-NH2 3.33Å; E213-R345 PolarHBondContact OE1-NH2 3.16Å; E213-R345 IonicContact OE2-NH2 2.72Å
214G87.2Confident93.3Very high29 Ų2924.5 Ų24.530%0.29913%0.129SC..SBendtrans70.532.6179.200000113.6T211 E212 R334T211-G214 PolarHBondContact O-N 2.96Å; E212-G214 VanDerWaalsContact C-N 3.31Å; G214-R334 PolarHBondContact O-NH2 2.74Å
215I92.8Very high93.2Very high0 Ų023.6 Ų23.60%013%0.125CC..  trans-95131.6171-70.2170000109.9L210 T211 K217 Y337 V338 R341L210-I215 WeakPolarHBondContact CA-O 3.49Å; T211-I215 HydrophobicContact CG2-CB 4.28Å; T211-I215 PolarHBondContact N-O 3.15Å; T211-I215 PolarHBondContact OG1-N 2.83Å; I215-K217 HydrophobicContact CG2-CG 4.35Å; I215-Y337 HydrophobicContact CD1-CE1 4.33Å; I215-Y337 HydrophobicContact CG1-CE1 4.23Å; I215-V338 HydrophobicContact CD1-CG2 4.31Å; I215-V338 HydrophobicContact CG1-CG2 4.43Å; I215-R341 HydrophobicContact CD1-CG 4.49Å; I215-R341 VanDerWaalsContact CD1-NH1 3.31Å
216V97.8Very high93.1Very high1 Ų125.8 Ų25.81%0.00614%0.137CC..EExtended strand (participates in β ladder)trans-83.8133.6173.9162.70000109.9N139 F182 D185 L186 I208 F209 L210N139-V216 WeakPolarHBondContact CA-O 3.33Å; N139-V216 WeakPolarHBondContact CB-O 3.44Å; N139-V216 PolarHBondContact ND2-O 3Å; F182-V216 HydrophobicContact CB-CG2 3.84Å; F182-V216 HydrophobicContact CD1-CG2 3.55Å; F182-V216 HydrophobicContact CE1-CG2 4.26Å; F182-V216 HydrophobicContact CG-CG2 3.75Å; D185-V216 HydrophobicContact CB-CB 3.59Å; D185-V216 HydrophobicContact CB-CG1 4.15Å; D185-V216 PolarHBondContact OD2-N 3.49Å; L186-V216 HydrophobicContact CB-CG1 4.31Å; I208-V216 HydrophobicContact CG2-CG1 3.51Å; I208-V216 HydrophobicContact CG2-CG2 4.47Å; F209-V216 CarbonylContact O-C 3.58Å; F209-V216 VanDerWaalsContact O-CA 3.3Å; F209-V216 WeakPolarHBondContact O-CA 3.23Å; L210-V216 HydrophobicContact CD2-CB 4.47Å; L210-V216 HydrophobicContact CD2-CG2 3.36Å; L210-V216 HydrophobicContact CG-CG2 4.42Å
217K98.4Very high93Very high13 Ų1325.4 Ų25.46%0.05714%0.135CC..EExtended strand (participates in β ladder)trans-128.1132.6173.7-60.2-166.2172.7-155.40110.6P138 N139 V141 E158 F209 T211 I215P138-K217 WeakPolarHBondContact O-CE 2.98Å; N139-K217 CarbonylContact O-C 3.54Å; N139-K217 VanDerWaalsContact O-CA 3.29Å; N139-K217 WeakPolarHBondContact O-CA 3.4Å; V141-K217 HydrophobicContact CG2-CB 3.79Å; E158-K217 VanDerWaalsContact OE1-CD 3.32Å; E158-K217 WeakPolarHBondContact OE1-CD 3.42Å; E158-K217 IonicContact OE1-NZ 3.77Å; E158-K217 PolarHBondContact OE1-NZ 3.19Å; E158-K217 IonicContact OE2-NZ 2.62Å; E158-K217 PolarHBondContact OE2-NZ 2.91Å; F209-K217 PolarHBondContact N-O 2.8Å; F209-K217 PolarHBondContact O-N 3.05Å; T211-K217 HydrophobicContact CG2-CD 4.05Å; T211-K217 HydrophobicContact CG2-CG 4.25Å; I215-K217 HydrophobicContact CG2-CG 4.35Å
218L98.5Very high92.7Very high0 Ų031.7 Ų31.70%017%0.168CC..EExtended strand (participates in β ladder)trans-83.9133.8171.6-175.760.6000109.8N139 I140 V141 L186 A189 V190 L193 H200 I203 I208 F221N139-L218 PolarHBondContact O-N 2.81Å; I140-L218 HydrophobicContact CD1-CB 4.29Å; V141-L218 WeakPolarHBondContact CG2-O 3.44Å; V141-L218 PolarHBondContact N-O 3.29Å; L186-L218 HydrophobicContact CD1-CD1 4.27Å; A189-L218 HydrophobicContact CB-CB 3.75Å; A189-L218 HydrophobicContact CB-CD2 4.26Å; V190-L218 HydrophobicContact CG2-CD2 4.26Å; L193-L218 HydrophobicContact CD1-CD2 4.09Å; H200-L218 VanDerWaalsContact CD2-CD2 3.46Å; H200-L218 WeakPolarHBondContact CD2-CD2 3.48Å; I203-L218 HydrophobicContact CG1-CD1 4.16Å; I203-L218 HydrophobicContact CG1-CD2 4.26Å; I208-L218 HydrophobicContact CG1-CD1 4.23Å; L218-F221 WeakPolarHBondContact O-CZ 3.34Å
219G95.7Very high92.1Very high1 Ų132.8 Ų32.81%0.0118%0.18CC..  trans-136.8-175.9178.700000112.8H200 N207H200-G219 PolarHBondContact NE2-O 2.92Å; N207-G219 PolarHBondContact O-N 3.01Å
220D92Very high91.3Very high43 Ų4334 Ų3423%0.2319%0.193CC..  trans5880.5-173-152.2-24.4000114.9K109 H200 N207 G222K109-D220 IonicContact NZ-OD1 2.64Å; K109-D220 PolarHBondContact NZ-OD1 3.27Å; K109-D220 IonicContact NZ-OD2 2.72Å; K109-D220 PolarHBondContact NZ-OD2 2.99Å; H200-D220 PolarHBondContact CE1-O 3.09Å; H200-D220 PolarHBondContact NE2-O 3.36Å; N207-D220 HydrophobicContact CB-CB 4.39Å; D220-G222 VanDerWaalsContact C-N 3.3Å; D220-G222 PolarHBondContact O-N 3.26Å; D220-G222 PolarHBondContact OD1-N 2.88Å
221F91.8Very high90.5Very high1 Ų139.3 Ų39.30%0.00422%0.222CC..  trans-90.517.3-177.2-60.8-84000113.8Y131 L134 I140 L193 H200 L218 L223 M224Y131-F221 HydrophobicContact CD1-CB 4.33Å; Y131-F221 AromaticContact CD1-CD2 3.83Å; Y131-F221 HydrophobicContact CD1-CD2 3.83Å; Y131-F221 HydrophobicContact CD1-CG 4.43Å; Y131-F221 AromaticContact CD2-CD2 3.74Å; Y131-F221 HydrophobicContact CD2-CD2 3.74Å; Y131-F221 HydrophobicContact CD2-CE2 4.1Å; Y131-F221 HydrophobicContact CD2-CG 4.26Å; Y131-F221 AromaticContact CE1-CD2 3.5Å; Y131-F221 HydrophobicContact CE1-CD2 3.5Å; Y131-F221 HydrophobicContact CE1-CE2 4.09Å; Y131-F221 HydrophobicContact CE1-CG 4.5Å; Y131-F221 AromaticContact CE2-CD2 3.41Å; Y131-F221 HydrophobicContact CE2-CD2 3.41Å; Y131-F221 VanDerWaalsContact CE2-CD2 3.41Å; Y131-F221 AromaticContact CE2-CE2 3.39Å; Y131-F221 HydrophobicContact CE2-CE2 3.39Å; Y131-F221 HydrophobicContact CE2-CG 4.33Å; Y131-F221 HydrophobicContact CE2-CZ 4.31Å; Y131-F221 HydrophobicContact CG-CB 4.34Å; Y131-F221 AromaticContact CG-CD2 3.95Å; Y131-F221 HydrophobicContact CG-CD2 3.95Å; Y131-F221 HydrophobicContact CG-CG 4.32Å; Y131-F221 AromaticContact CZ-CD2 3.28Å; Y131-F221 AromaticContact CZ-CE2 3.39Å; Y131-F221 WeakPolarHBondContact OH-CE2 3.34Å; L134-F221 HydrophobicContact CD1-CD1 4.43Å; L134-F221 HydrophobicContact CD1-CE1 4.36Å; I140-F221 HydrophobicContact CD1-CE1 4.22Å; I140-F221 HydrophobicContact CD1-CZ 3.89Å; I140-F221 HydrophobicContact CG2-CE2 4.06Å; I140-F221 HydrophobicContact CG2-CZ 3.69Å; L193-F221 HydrophobicContact CD1-CE1 4.1Å; L193-F221 HydrophobicContact CD2-CE1 4.03Å; H200-F221 AromaticContact CD2-CD1 3.97Å; H200-F221 AromaticContact CD2-CE1 3.86Å; L218-F221 WeakPolarHBondContact O-CZ 3.34Å; F221-L223 VanDerWaalsContact C-N 3.26Å; F221-L223 PolarHBondContact O-N 2.96Å; F221-M224 HydrophobicContact CB-CB 4.13Å; F221-M224 HydrophobicContact CB-CE 4.19Å; F221-M224 HydrophobicContact CD1-CB 4.39Å; F221-M224 HydrophobicContact CD1-CE 4.32Å; F221-M224 HydrophobicContact CD1-SD 3.74Å; F221-M224 VanDerWaalsContact O-CB 3.3Å; F221-M224 WeakPolarHBondContact O-CB 3.32Å; F221-M224 PolarHBondContact O-N 3.28Å; F221-M224 VanDerWaalsContact O-N 3.11Å
222G88.7Confident89.5Confident10 Ų1047.8 Ų47.810%0.10326%0.261CS..THydrogen-bonded Turntrans-55.7-37.8-177.900000114.1E127 D220E127-G222 VanDerWaalsContact CD-CA 3.44Å; D220-G222 VanDerWaalsContact C-N 3.3Å; D220-G222 PolarHBondContact O-N 3.26Å; D220-G222 PolarHBondContact OD1-N 2.88Å
223L89.9Confident88.8Confident20 Ų2042.4 Ų42.411%0.10524%0.237CC..THydrogen-bonded Turntrans-98.40.7-179-55-170.8000113.8H200 L201 D202 F221 F225 T235 G237H200-L223 CarbonylContact O-C 3.45Å; L201-L223 HydrophobicContact CB-CB 4.45Å; D202-L223 HydrophobicContact CB-CB 4.41Å; D202-L223 HydrophobicContact CB-CD1 4.01Å; D202-L223 HydrophobicContact CB-CG 4.48Å; F221-L223 VanDerWaalsContact C-N 3.26Å; F221-L223 PolarHBondContact O-N 2.96Å; L223-F225 PolarHBondContact O-N 2.95Å; L223-T235 HydrophobicContact CD2-CG2 3.74Å; L223-G237 VanDerWaalsContact CD1-CA 3.43Å
224M92.7Very high88.5Confident0 Ų043 Ų430%024%0.236CC..  trans-58.3127.8-177.1-177.5179.158.200110.6K130 L134 L193 Y198 V199 F221K130-M224 HydrophobicContact CB-CE 3.39Å; K130-M224 WeakPolarHBondContact CE-O 3.46Å; K130-M224 PolarHBondContact NZ-O 3.31Å; L134-M224 HydrophobicContact CD1-CE 4.06Å; L134-M224 HydrophobicContact CD1-SD 3.93Å; L193-M224 HydrophobicContact CD2-SD 3.92Å; Y198-M224 HydrophobicContact CD1-CE 4.38Å; Y198-M224 HydrophobicContact CD1-CG 4.11Å; Y198-M224 HydrophobicContact CD1-SD 4.14Å; Y198-M224 HydrophobicContact CG-CG 4.37Å; Y198-M224 HydrophobicContact CG-SD 4.05Å; V199-M224 CarbonylContact O-C 3.46Å; V199-M224 VanDerWaalsContact O-CA 3.29Å; V199-M224 WeakPolarHBondContact O-CA 3.44Å; V199-M224 WeakPolarHBondContact O-CG 2.87Å; F221-M224 HydrophobicContact CB-CB 4.13Å; F221-M224 HydrophobicContact CB-CE 4.19Å; F221-M224 HydrophobicContact CD1-CB 4.39Å; F221-M224 HydrophobicContact CD1-CE 4.32Å; F221-M224 HydrophobicContact CD1-SD 3.74Å; F221-M224 VanDerWaalsContact O-CB 3.3Å; F221-M224 WeakPolarHBondContact O-CB 3.32Å; F221-M224 PolarHBondContact O-N 3.28Å; F221-M224 VanDerWaalsContact O-N 3.11Å
225F92.1Very high88.2Confident10 Ų1044.4 Ų44.44%0.04424%0.239CC..EExtended strand (participates in β ladder)trans-118137.8-173.1179-104.7000111.4Y198 V199 L201 L223 L227 P230 D233 R234 V251Y198-F225 WeakPolarHBondContact CA-O 3.12Å; V199-F225 HydrophobicContact CG2-CB 3.97Å; V199-F225 HydrophobicContact CG2-CD1 4.19Å; V199-F225 PolarHBondContact N-O 3.12Å; V199-F225 PolarHBondContact O-N 3.32Å; L201-F225 HydrophobicContact CD1-CB 3.7Å; L201-F225 HydrophobicContact CD1-CG 4.5Å; L223-F225 PolarHBondContact O-N 2.95Å; F225-L227 HydrophobicContact CD1-CD2 4.2Å; F225-L227 HydrophobicContact CE1-CD2 4.36Å; F225-P230 WeakPolarHBondContact CE2-O 3.26Å; F225-D233 HydrophobicContact CE2-CB 4.31Å; F225-R234 HydrophobicContact CD2-CB 4.38Å; F225-R234 HydrophobicContact CE2-CB 4.28Å; F225-V251 HydrophobicContact CD1-CG1 4.29Å
226N92.9Very high87.6Confident50 Ų5049.6 Ų49.627%0.26726%0.264SS..EExtended strand (participates in β ladder)trans-86.3115.9172.2-174.9-18.9000108.5Y198 N228 G229Y198-N226 HydrophobicContact CD1-CB 3.98Å; Y198-N226 HydrophobicContact CE1-CB 3.67Å; N226-N228 PolarHBondContact O-N 3.11Å; N226-N228 VanDerWaalsContact O-N 3.14Å; N226-N228 WeakPolarHBondContact OD1-CB 3.43Å; N226-N228 PolarHBondContact OD1-N 2.68Å; N226-G229 WeakPolarHBondContact O-CA 3.14Å; N226-G229 PolarHBondContact O-N 3.4Å
227L92.1Very high86.7Confident54 Ų5450.2 Ų50.228%0.28327%0.27SS..THydrogen-bonded Turntrans-62.1-20.9-179.9-67.2175.3000113.6G197 V199 F225 V251 Q253G197-L227 WeakPolarHBondContact O-CB 3.42Å; G197-L227 PolarHBondContact O-N 2.88Å; V199-L227 HydrophobicContact CG1-CD1 3.83Å; V199-L227 HydrophobicContact CG1-CD2 4Å; V199-L227 HydrophobicContact CG1-CG 4Å; V199-L227 HydrophobicContact CG2-CD2 3.92Å; V199-L227 HydrophobicContact CG2-CG 4.33Å; F225-L227 HydrophobicContact CD1-CD2 4.2Å; F225-L227 HydrophobicContact CE1-CD2 4.36Å; L227-V251 HydrophobicContact CD2-CG1 4.07Å; L227-Q253 HydrophobicContact CD1-CG 3.9Å
228N90.6Very high86Confident144 Ų14452 Ų5277%0.7728%0.28SS*.THydrogen-bonded Turntrans-94.81.8174.5-57.2-46.8000112.8N226N226-N228 PolarHBondContact O-N 3.11Å; N226-N228 VanDerWaalsContact O-N 3.14Å; N226-N228 WeakPolarHBondContact OD1-CB 3.43Å; N226-N228 PolarHBondContact OD1-N 2.68Å
229G85.3Confident85.3Confident24 Ų2455.3 Ų55.325%0.24730%0.303CS..SBendtrans-88.8175.2179.400000113.5N226N226-G229 WeakPolarHBondContact O-CA 3.14Å; N226-G229 PolarHBondContact O-N 3.4Å
230P81.7Confident84.8Confident79 Ų7956.2 Ų56.251%0.51331%0.307SS..  trans-70.1136.4177.928.6-32.6000111.7F225 E232 D233F225-P230 WeakPolarHBondContact CE2-O 3.26Å; P230-E232 PolarHBondContact O-N 3.26Å; P230-D233 WeakPolarHBondContact O-CB 3.49Å; P230-D233 PolarHBondContact O-N 3Å
231N77.6Confident84.8Confident119 Ų11954.7 Ų54.764%0.63630%0.298SS*.G310 helixtrans-62.3-22.7-179-79.7-15.7000114.4D233 R234N231-D233 PolarHBondContact O-N 3.39Å; N231-R234 WeakPolarHBondContact O-CB 3.46Å; N231-R234 PolarHBondContact O-N 3.48Å; N231-R234 VanDerWaalsContact O-N 3.15Å
232E71.5Confident84.7Confident187 Ų18755 Ų5587%0.87430%0.3SS*.G310 helixtrans-63.5-18.5178.3-64.4177.6-172.300113.1P230 R234P230-E232 PolarHBondContact O-N 3.26Å; E232-R234 PolarHBondContact O-N 2.86Å
233D71.4Confident84.8Confident45 Ų4554.6 Ų54.624%0.24130%0.295CS..G310 helixtrans-83.6-4.6179.9-66.1-1.5000112.7R126 F225 P230 N231R126-D233 IonicContact CZ-OD1 3.99Å; R126-D233 IonicContact CZ-OD2 3.98Å; R126-D233 IonicContact NH1-OD1 3.73Å; R126-D233 PolarHBondContact NH1-OD1 3.38Å; R126-D233 IonicContact NH1-OD2 3.44Å; R126-D233 PolarHBondContact NH1-OD2 3.16Å; F225-D233 HydrophobicContact CE2-CB 4.31Å; P230-D233 WeakPolarHBondContact O-CB 3.49Å; P230-D233 PolarHBondContact O-N 3Å; N231-D233 PolarHBondContact O-N 3.39Å
234R77.6Confident84.8Confident73 Ų7356.2 Ų56.228%0.27530%0.304SS..  trans-75.5130.4-176.8-173.7-175.873.6-161.812110.9F225 N231 E232 G249F225-R234 HydrophobicContact CD2-CB 4.38Å; F225-R234 HydrophobicContact CE2-CB 4.28Å; N231-R234 WeakPolarHBondContact O-CB 3.46Å; N231-R234 PolarHBondContact O-N 3.48Å; N231-R234 VanDerWaalsContact O-N 3.15Å; E232-R234 PolarHBondContact O-N 2.86Å; R234-G249 PolarHBondContact NH1-O 3.17Å
235T80.2Confident84.8Confident58 Ų5856.5 Ų56.536%0.35631%0.306SS..  trans-121.1146167.9-57.50000108.7L223L223-T235 HydrophobicContact CD2-CG2 3.74Å
236E80.4Confident84.7Confident110 Ų11056.1 Ų56.151%0.51430%0.304SS..  trans-79.2136.4178.5-65.5178.2-174.700110.3L242E236-L242 HydrophobicContact CB-CD2 4.26Å
237G79.7Confident84.4Confident14 Ų1457.8 Ų57.814%0.14431%0.313CS..  trans-84.4-165.6175.400000113.5L201 L223 S239L201-G237 WeakPolarHBondContact O-CA 3.39Å; L223-G237 VanDerWaalsContact CD1-CA 3.43Å; G237-S239 PolarHBondContact O-N 3.11Å
238D83Confident84.3Confident50 Ų5064 Ų6427%0.26733%0.332SS..  trans-59.9121.2-178.5-163.7-50.6000112.7D202 K204 K240 Y241 L242D202-D238 WeakPolarHBondContact OD1-CB 3.4Å; D202-D238 PolarHBondContact OD1-N 3.37Å; D202-D238 VanDerWaalsContact OD1-N 3.12Å; K204-D238 HydrophobicContact CD-CB 4.14Å; K204-D238 IonicContact NZ-OD2 2.68Å; K204-D238 PolarHBondContact NZ-OD2 2.69Å; D238-K240 PolarHBondContact O-N 2.91Å; D238-K240 WeakPolarHBondContact OD1-CB 3.3Å; D238-K240 PolarHBondContact OD1-N 3.31Å; D238-Y241 HydrophobicContact CB-CD2 4.06Å; D238-Y241 CarbonylContact O-C 3.54Å; D238-Y241 PolarHBondContact O-N 3.33Å; D238-L242 VanDerWaalsContact O-CB 3.28Å; D238-L242 WeakPolarHBondContact O-CB 3.44Å; D238-L242 PolarHBondContact O-N 3.03Å
239S83.4Confident84.1Confident69 Ų6958.7 Ų58.748%0.48331%0.311SS..THydrogen-bonded Turntrans-53.5-29.5-17767.10000114.4G237 R284G237-S239 PolarHBondContact O-N 3.11Å; S239-R284 PolarHBondContact O-NH2 3.24Å
240K86.2Confident84.4Confident20 Ų2062 Ų629%0.08732%0.321CS..THydrogen-bonded Turntrans-73.7-26.2178.9179.2178.9163.4-175.40112.9D238 E266 D272 V273 A275 W280D238-K240 PolarHBondContact O-N 2.91Å; D238-K240 WeakPolarHBondContact OD1-CB 3.3Å; D238-K240 PolarHBondContact OD1-N 3.31Å; K240-E266 WeakPolarHBondContact CE-OE1 3.45Å; K240-E266 IonicContact NZ-OE1 3.63Å; K240-E266 PolarHBondContact NZ-OE1 3.02Å; K240-D272 IonicContact NZ-OD1 2.81Å; K240-D272 PolarHBondContact NZ-OD1 2.93Å; K240-V273 WeakPolarHBondContact CD-O 3.28Å; K240-V273 WeakPolarHBondContact CE-O 3.4Å; K240-V273 PolarHBondContact NZ-O 3.15Å; K240-A275 HydrophobicContact CB-CB 4.12Å; K240-A275 HydrophobicContact CG-CB 4.5Å; K240-W280 WeakPolarHBondContact O-CH2 3.41Å; K240-W280 WeakPolarHBondContact O-CZ2 3.36Å; K240-W280 WeakPolarHBondContact O-CZ3 3.48Å
241Y91.4Very high84.8Confident11 Ų1159.9 Ų59.94%0.04331%0.306CS..THydrogen-bonded Turntrans-111.2-5.3179.8-56.7-89.3000112K204 P205 D238 F258 S259 V262 E266K204-Y241 HydrophobicContact CB-CD1 4.01Å; K204-Y241 HydrophobicContact CB-CD2 3.49Å; K204-Y241 VanDerWaalsContact CB-CD2 3.49Å; K204-Y241 HydrophobicContact CB-CE1 4Å; K204-Y241 HydrophobicContact CB-CE2 3.46Å; K204-Y241 VanDerWaalsContact CB-CE2 3.46Å; K204-Y241 HydrophobicContact CB-CG 3.77Å; K204-Y241 HydrophobicContact CD-CD2 4.12Å; K204-Y241 HydrophobicContact CD-CE2 4.09Å; K204-Y241 HydrophobicContact CG-CD2 4.44Å; K204-Y241 HydrophobicContact CG-CE2 4.45Å; P205-Y241 WeakPolarHBondContact CD-OH 3.49Å; D238-Y241 HydrophobicContact CB-CD2 4.06Å; D238-Y241 CarbonylContact O-C 3.54Å; D238-Y241 PolarHBondContact O-N 3.33Å; Y241-F258 WeakPolarHBondContact O-CD1 3.39Å; Y241-S259 PolarHBondContact O-OG 2.94Å; Y241-V262 HydrophobicContact CD1-CB 3.97Å; Y241-V262 HydrophobicContact CD1-CG1 3.65Å; Y241-V262 HydrophobicContact CE1-CB 4.41Å; Y241-V262 HydrophobicContact CE1-CG1 3.73Å; Y241-E266 WeakPolarHBondContact CE1-OE2 3.43Å; Y241-E266 VanDerWaalsContact OH-CD 3.31Å; Y241-E266 PolarHBondContact OH-OE1 2.96Å; Y241-E266 PolarHBondContact OH-OE2 3.38Å
242L90.3Very high85.7Confident8 Ų854.5 Ų54.54%0.04228%0.279CS..  trans-75.4124.2-178.4-165.366.1000112E236 D238 V246 L247 R284E236-L242 HydrophobicContact CB-CD2 4.26Å; D238-L242 VanDerWaalsContact O-CB 3.28Å; D238-L242 WeakPolarHBondContact O-CB 3.44Å; D238-L242 PolarHBondContact O-N 3.03Å; L242-V246 HydrophobicContact CD1-CB 3.95Å; L242-V246 HydrophobicContact CD1-CG1 3.69Å; L242-V246 HydrophobicContact CD1-CG2 4.22Å; L242-V246 HydrophobicContact CG-CB 4.2Å; L242-V246 HydrophobicContact CG-CG1 4.29Å; L242-L247 HydrophobicContact CD2-CD2 3.73Å; L242-L247 HydrophobicContact CD2-CG 4.34Å; L242-R284 PolarHBondContact O-NH2 3.15Å
243A90.7Very high86.9Confident1 Ų149.1 Ų49.11%0.00825%0.253CS..  trans-69.8146.1177.500000112E245 V246 C255 F258A243-E245 VanDerWaalsContact C-N 3.28Å; A243-E245 VanDerWaalsContact CB-CD 3.46Å; A243-E245 WeakPolarHBondContact CB-OE1 3.28Å; A243-E245 WeakPolarHBondContact CB-OE2 3.33Å; A243-E245 PolarHBondContact O-N 3.12Å; A243-V246 HydrophobicContact CB-CG2 4.23Å; A243-V246 WeakPolarHBondContact O-CB 3.23Å; A243-V246 PolarHBondContact O-N 3.33Å; A243-V246 VanDerWaalsContact O-N 3.12Å; A243-C255 HydrophobicContact CB-CB 4.46Å; A243-F258 HydrophobicContact CB-CB 3.85Å; A243-F258 HydrophobicContact CB-CD1 3.71Å; A243-F258 HydrophobicContact CB-CD2 4.46Å; A243-F258 HydrophobicContact CB-CE1 4.4Å; A243-F258 HydrophobicContact CB-CG 3.75Å
244N89.9Confident88.1Confident55 Ų5549.6 Ų49.629%0.29425%0.254SS..THydrogen-bonded Turntrans-65-30.7-172.8-16633.9000113.3V246 L247N244-V246 VanDerWaalsContact C-N 3.28Å; N244-V246 PolarHBondContact O-N 2.91Å; N244-L247 WeakPolarHBondContact O-CB 3.48Å; N244-L247 PolarHBondContact O-N 3.32Å
245E92Very high89Confident6 Ų646.2 Ų46.23%0.02824%0.242CC..THydrogen-bonded Turntrans-68.9-26.1177.572.5-80.3179.900113A243 L247 R248 G249 E250 C255 Y312 R315A243-E245 VanDerWaalsContact C-N 3.28Å; A243-E245 VanDerWaalsContact CB-CD 3.46Å; A243-E245 WeakPolarHBondContact CB-OE1 3.28Å; A243-E245 WeakPolarHBondContact CB-OE2 3.33Å; A243-E245 PolarHBondContact O-N 3.12Å; E245-L247 VanDerWaalsContact C-N 3.27Å; E245-L247 PolarHBondContact O-N 3.37Å; E245-R248 CarbonylContact O-C 3.59Å; E245-R248 WeakPolarHBondContact O-CA 3.26Å; E245-R248 WeakPolarHBondContact O-CB 3.4Å; E245-R248 PolarHBondContact O-N 2.96Å; E245-G249 PolarHBondContact O-N 2.79Å; E245-E250 CarbonylContact C-O 3.54Å; E245-E250 HydrophobicContact CB-CB 3.92Å; E245-E250 HydrophobicContact CG-CB 4.16Å; E245-E250 WeakPolarHBondContact O-CB 3.48Å; E245-E250 PolarHBondContact O-N 2.8Å; E245-C255 PolarHBondContact OE1-SG 2.93Å; E245-Y312 HydrophobicContact CB-CD1 3.7Å; E245-Y312 HydrophobicContact CB-CE1 4.08Å; E245-Y312 HydrophobicContact CB-CG 4.17Å; E245-Y312 HydrophobicContact CG-CD1 3.83Å; E245-Y312 HydrophobicContact CG-CD2 4.3Å; E245-Y312 HydrophobicContact CG-CE1 4.44Å; E245-Y312 HydrophobicContact CG-CG 3.74Å; E245-R315 IonicContact OE1-CZ 2.63Å; E245-R315 IonicContact OE1-NH1 3.52Å; E245-R315 PolarHBondContact OE1-NH1 2.92Å; E245-R315 IonicContact OE1-NH2 3.55Å; E245-R315 IonicContact OE2-CZ 3.28Å; E245-R315 IonicContact OE2-NH1 3.66Å; E245-R315 IonicContact OE2-NH2 2.9Å; E245-R315 PolarHBondContact OE2-NH2 2.77Å
246V90.4Very high89.8Confident2 Ų243.5 Ų43.51%0.01223%0.225CC..G310 helixtrans-62.6-38.2175.7179.20000110.9L242 A243 N244 R248 G249 E250 V251 C255L242-V246 HydrophobicContact CD1-CB 3.95Å; L242-V246 HydrophobicContact CD1-CG1 3.69Å; L242-V246 HydrophobicContact CD1-CG2 4.22Å; L242-V246 HydrophobicContact CG-CB 4.2Å; L242-V246 HydrophobicContact CG-CG1 4.29Å; A243-V246 HydrophobicContact CB-CG2 4.23Å; A243-V246 WeakPolarHBondContact O-CB 3.23Å; A243-V246 PolarHBondContact O-N 3.33Å; A243-V246 VanDerWaalsContact O-N 3.12Å; N244-V246 VanDerWaalsContact C-N 3.28Å; N244-V246 PolarHBondContact O-N 2.91Å; V246-R248 PolarHBondContact O-N 2.88Å; V246-G249 WeakPolarHBondContact O-CA 3.4Å; V246-G249 PolarHBondContact O-N 2.87Å; V246-E250 PolarHBondContact N-O 2.91Å; V246-V251 HydrophobicContact CG1-CG2 4.07Å; V246-C255 HydrophobicContact CG2-CB 3.71Å; V246-C255 WeakPolarHBondContact CG2-SG 3.1Å
247L87.4Confident90.7Very high85 Ų8538.3 Ų38.345%0.44520%0.201SC..G310 helixtrans-64.5-22.8174.6-60.5175000112.7L242 N244 E245 G249L242-L247 HydrophobicContact CD2-CD2 3.73Å; L242-L247 HydrophobicContact CD2-CG 4.34Å; N244-L247 WeakPolarHBondContact O-CB 3.48Å; N244-L247 PolarHBondContact O-N 3.32Å; E245-L247 VanDerWaalsContact C-N 3.27Å; E245-L247 PolarHBondContact O-N 3.37Å; L247-G249 VanDerWaalsContact C-N 3.28Å
248R88.7Confident91.5Very high183 Ų18337.9 Ų37.969%0.69120%0.195SC*.G310 helixtrans-89.11.8174-58.3175.6-178.5163.5-1.9112.4E245 V246E245-R248 CarbonylContact O-C 3.59Å; E245-R248 WeakPolarHBondContact O-CA 3.26Å; E245-R248 WeakPolarHBondContact O-CB 3.4Å; E245-R248 PolarHBondContact O-N 2.96Å; V246-R248 PolarHBondContact O-N 2.88Å
249G87.1Confident92.2Very high33 Ų3335.7 Ų35.734%0.3418%0.184SC..THydrogen-bonded Turntrans85.62-177.400000114.9R234 E245 V246 L247 V251R234-G249 PolarHBondContact NH1-O 3.17Å; E245-G249 PolarHBondContact O-N 2.79Å; V246-G249 WeakPolarHBondContact O-CA 3.4Å; V246-G249 PolarHBondContact O-N 2.87Å; L247-G249 VanDerWaalsContact C-N 3.28Å; G249-V251 PolarHBondContact O-N 3.38Å
250E91.2Very high92.9Very high95 Ų9532.4 Ų32.444%0.44416%0.161SC..  trans-84.699.5178.1-64.2-74.1145.600109.3E245 V246 Y312E245-E250 CarbonylContact C-O 3.54Å; E245-E250 HydrophobicContact CB-CB 3.92Å; E245-E250 HydrophobicContact CG-CB 4.16Å; E245-E250 WeakPolarHBondContact O-CB 3.48Å; E245-E250 PolarHBondContact O-N 2.8Å; V246-E250 PolarHBondContact N-O 2.91Å; E250-Y312 PolarHBondContact OE2-OH 2.72Å
251V91.8Very high93.4Very high34 Ų3431.5 Ų31.521%0.20616%0.157CC..  trans-111.8131.5179.3-179.50000110V199 L201 F225 L227 V246 G249V199-V251 HydrophobicContact CG2-CG1 4.1Å; L201-V251 HydrophobicContact CD2-CG1 4.02Å; F225-V251 HydrophobicContact CD1-CG1 4.29Å; L227-V251 HydrophobicContact CD2-CG1 4.07Å; V246-V251 HydrophobicContact CG1-CG2 4.07Å; G249-V251 PolarHBondContact O-N 3.38Å
252G94.6Very high93.5Very high6 Ų631 Ų316%0.06216%0.155CC..SBendtrans-166.8-176.5173.400000111.3H254 C255G252-H254 VanDerWaalsContact CA-CE1 3.47Å; G252-H254 WeakPolarHBondContact CA-CE1 3.42Å; G252-H254 PolarHBondContact O-N 3.03Å; G252-H254 VanDerWaalsContact O-N 3.14Å; G252-C255 PolarHBondContact N-SG 2.98Å; G252-C255 VanDerWaalsContact N-SG 3.41Å; G252-C255 VanDerWaalsContact O-CB 3.31Å; G252-C255 WeakPolarHBondContact O-CB 3.42Å; G252-C255 PolarHBondContact O-N 3.34Å; G252-C255 PolarHBondContact O-SG 2.72Å
253Q97.5Very high93.7Very high73 Ų7330.6 Ų30.634%0.34115%0.153SC..Hα-helixtrans-56.5-31.7-178.2-68.2178.2-15.200113.1H194 V199 L227 C255 D256 V257H194-Q253 HydrophobicContact CB-CG 4.1Å; H194-Q253 PolarHBondContact CE1-O 3.23Å; H194-Q253 PolarHBondContact O-NE2 3Å; V199-Q253 HydrophobicContact CG1-CG 4.22Å; L227-Q253 HydrophobicContact CD1-CG 3.9Å; Q253-C255 PolarHBondContact O-N 2.96Å; Q253-D256 PolarHBondContact O-N 3.18Å; Q253-V257 PolarHBondContact O-N 3.04Å
254H97.4Very high93.9Very high56 Ų5630.6 Ų30.626%0.25915%0.153SC..Hα-helixtrans-62.7-18.4177.12470000114.2G252 V257 F258 Y312 R315G252-H254 VanDerWaalsContact CA-CE1 3.47Å; G252-H254 WeakPolarHBondContact CA-CE1 3.42Å; G252-H254 PolarHBondContact O-N 3.03Å; G252-H254 VanDerWaalsContact O-N 3.14Å; H254-V257 PolarHBondContact O-N 3.28Å; H254-F258 PolarHBondContact O-N 3.36Å; H254-Y312 WeakPolarHBondContact CB-O 3.29Å; H254-Y312 AromaticContact CE1-CD2 3.64Å; H254-Y312 AromaticContact CE1-CE2 3.93Å; H254-Y312 AromaticContact CG-CD2 3.97Å; H254-Y312 AromaticContact ND1-CD2 3.6Å; H254-R315 HydrophobicContact CB-CB 4.46Å; H254-R315 PolarHBondContact O-NH1 3.02Å
255C95.9Very high94Very high2 Ų228 Ų281%0.01414%0.139CC..Hα-helixtrans-71.1-44.9176.3-53.60000110.6L201 A243 E245 V246 G252 Q253 V257 F258 S259L201-C255 HydrophobicContact CD2-CB 4.48Å; A243-C255 HydrophobicContact CB-CB 4.46Å; E245-C255 PolarHBondContact OE1-SG 2.93Å; V246-C255 HydrophobicContact CG2-CB 3.71Å; V246-C255 WeakPolarHBondContact CG2-SG 3.1Å; G252-C255 PolarHBondContact N-SG 2.98Å; G252-C255 VanDerWaalsContact N-SG 3.41Å; G252-C255 VanDerWaalsContact O-CB 3.31Å; G252-C255 WeakPolarHBondContact O-CB 3.42Å; G252-C255 PolarHBondContact O-N 3.34Å; G252-C255 PolarHBondContact O-SG 2.72Å; Q253-C255 PolarHBondContact O-N 2.96Å; C255-V257 VanDerWaalsContact C-N 3.27Å; C255-V257 PolarHBondContact O-N 3.27Å; C255-F258 WeakPolarHBondContact O-CB 3.22Å; C255-F258 PolarHBondContact O-N 3.37Å; C255-S259 PolarHBondContact O-N 3.04Å; C255-S259 PolarHBondContact O-OG 3.39Å
256D97.9Very high93.9Very high0 Ų028.4 Ų28.40%014%0.141CC..Hα-helixtrans-63-35.9173.6-73.6-18.1000111.4V190 H194 V199 H200 L201 I203 Q253 F258 S259 V260V190-D256 HydrophobicContact CG1-CB 4.08Å; H194-D256 IonicContact CD2-OD2 3.88Å; H194-D256 IonicContact CE1-OD2 2.8Å; H194-D256 IonicContact NE2-OD2 2.79Å; H194-D256 PolarHBondContact NE2-OD2 2.97Å; V199-D256 VanDerWaalsContact CA-OD2 3.26Å; V199-D256 WeakPolarHBondContact CA-OD2 3.31Å; V199-D256 WeakPolarHBondContact CB-OD2 3.27Å; H200-D256 PolarHBondContact N-OD1 2.83Å; H200-D256 PolarHBondContact N-OD2 3.21Å; L201-D256 PolarHBondContact N-OD1 2.96Å; I203-D256 HydrophobicContact CD1-CB 3.54Å; Q253-D256 PolarHBondContact O-N 3.18Å; D256-F258 VanDerWaalsContact C-N 3.29Å; D256-F258 PolarHBondContact O-N 2.83Å; D256-S259 PolarHBondContact O-N 2.84Å; D256-V260 VanDerWaalsContact O-CG2 3.31Å; D256-V260 WeakPolarHBondContact O-CG2 3.26Å; D256-V260 PolarHBondContact O-N 2.74Å
257V98.4Very high93.9Very high2 Ų228.7 Ų28.71%0.01214%0.142CC..Hα-helixtrans-60.8-39.1176.31770000111.4Q253 H254 C255 V260 G261 M307 R315 V318 L321Q253-V257 PolarHBondContact O-N 3.04Å; H254-V257 PolarHBondContact O-N 3.28Å; C255-V257 VanDerWaalsContact C-N 3.27Å; C255-V257 PolarHBondContact O-N 3.27Å; V257-V260 PolarHBondContact O-N 3.03Å; V257-G261 PolarHBondContact O-N 2.81Å; V257-M307 HydrophobicContact CG1-CB 4.05Å; V257-M307 HydrophobicContact CG1-CG 3.75Å; V257-R315 HydrophobicContact CG1-CB 4.19Å; V257-V318 HydrophobicContact CG2-CG1 4.05Å; V257-L321 HydrophobicContact CG1-CD1 4.08Å
258F96.8Very high94.1Very high4 Ų425.8 Ų25.82%0.01813%0.129CC..Hα-helixtrans-63.7-46.5173.9175.6-88.9000111.6Y241 A243 H254 C255 D256 V260 G261 V262 W280 R284 L308Y241-F258 WeakPolarHBondContact O-CD1 3.39Å; A243-F258 HydrophobicContact CB-CB 3.85Å; A243-F258 HydrophobicContact CB-CD1 3.71Å; A243-F258 HydrophobicContact CB-CD2 4.46Å; A243-F258 HydrophobicContact CB-CE1 4.4Å; A243-F258 HydrophobicContact CB-CG 3.75Å; H254-F258 PolarHBondContact O-N 3.36Å; C255-F258 WeakPolarHBondContact O-CB 3.22Å; C255-F258 PolarHBondContact O-N 3.37Å; D256-F258 VanDerWaalsContact C-N 3.29Å; D256-F258 PolarHBondContact O-N 2.83Å; F258-V260 VanDerWaalsContact C-N 3.3Å; F258-V260 PolarHBondContact O-N 2.88Å; F258-G261 WeakPolarHBondContact O-CA 3.38Å; F258-G261 PolarHBondContact O-N 2.85Å; F258-V262 HydrophobicContact CD1-CG2 4.16Å; F258-V262 HydrophobicContact CE1-CG2 3.69Å; F258-V262 HydrophobicContact CZ-CG2 3.92Å; F258-V262 PolarHBondContact O-N 3.37Å; F258-W280 HydrophobicContact CE1-CH2 4.09Å; F258-W280 AromaticContact CZ-CH2 3.98Å; F258-W280 HydrophobicContact CZ-CH2 3.98Å; F258-R284 HydrophobicContact CZ-CG 4.06Å; F258-L308 HydrophobicContact CD2-CD2 3.58Å; F258-L308 HydrophobicContact CE2-CD2 3.58Å; F258-L308 HydrophobicContact CG-CD2 4.2Å; F258-L308 HydrophobicContact CZ-CD2 4.19Å
259S97.1Very high93.7Very high4 Ų418 Ų183%0.02810%0.102CC..Hα-helixtrans-61.5-37.7178.1-510000112.5I203 Y241 C255 D256 G261 V262 T263I203-S259 WeakPolarHBondContact O-CB 3.46Å; Y241-S259 PolarHBondContact O-OG 2.94Å; C255-S259 PolarHBondContact O-N 3.04Å; C255-S259 PolarHBondContact O-OG 3.39Å; D256-S259 PolarHBondContact O-N 2.84Å; S259-G261 VanDerWaalsContact C-N 3.35Å; S259-V262 PolarHBondContact O-N 2.99Å; S259-T263 WeakPolarHBondContact O-CB 3.34Å; S259-T263 PolarHBondContact O-N 2.86Å; S259-T263 PolarHBondContact O-OG1 2.82Å
260V98.1Very high93Very high1 Ų121 Ų211%0.00611%0.11CC..Hα-helixtrans-62.7-40.9170.1173.70000111.1L183 L186 L187 V190 I203 D256 V257 F258 T263 L264 M307L183-V260 HydrophobicContact CD1-CG1 3.72Å; L186-V260 HydrophobicContact CD2-CG1 4.18Å; L186-V260 HydrophobicContact CD2-CG2 4.1Å; L186-V260 HydrophobicContact CG-CG2 4.31Å; L187-V260 HydrophobicContact CD2-CG1 4.22Å; V190-V260 HydrophobicContact CG2-CG2 4.08Å; I203-V260 HydrophobicContact CD1-CG2 4.22Å; I203-V260 HydrophobicContact CG2-CG2 4.15Å; D256-V260 VanDerWaalsContact O-CG2 3.31Å; D256-V260 WeakPolarHBondContact O-CG2 3.26Å; D256-V260 PolarHBondContact O-N 2.74Å; V257-V260 PolarHBondContact O-N 3.03Å; F258-V260 VanDerWaalsContact C-N 3.3Å; F258-V260 PolarHBondContact O-N 2.88Å; V260-T263 PolarHBondContact O-N 3.49Å; V260-L264 WeakPolarHBondContact O-CB 3.33Å; V260-L264 PolarHBondContact O-N 2.79Å; V260-M307 HydrophobicContact CB-SD 4.33Å; V260-M307 HydrophobicContact CG1-SD 3.81Å
261G96Very high92Very high0 Ų021.1 Ų21.10%011%0.113CC..Hα-helixtrans-61.6-43.7176.400000113.5V257 F258 S259 L264 L265V257-G261 PolarHBondContact O-N 2.81Å; F258-G261 WeakPolarHBondContact O-CA 3.38Å; F258-G261 PolarHBondContact O-N 2.85Å; S259-G261 VanDerWaalsContact C-N 3.35Å; G261-L264 PolarHBondContact O-N 2.87Å; G261-L265 WeakPolarHBondContact O-CB 3.47Å; G261-L265 PolarHBondContact O-N 2.67Å
262V93.6Very high90.8Very high1 Ų125.9 Ų25.91%0.00614%0.138CC..Hα-helixtrans-64.3-44.7174.7179.70000110.3Y241 F258 S259 L264 L265 E266 V273 W280 L308Y241-V262 HydrophobicContact CD1-CB 3.97Å; Y241-V262 HydrophobicContact CD1-CG1 3.65Å; Y241-V262 HydrophobicContact CE1-CB 4.41Å; Y241-V262 HydrophobicContact CE1-CG1 3.73Å; F258-V262 HydrophobicContact CD1-CG2 4.16Å; F258-V262 HydrophobicContact CE1-CG2 3.69Å; F258-V262 HydrophobicContact CZ-CG2 3.92Å; F258-V262 PolarHBondContact O-N 3.37Å; S259-V262 PolarHBondContact O-N 2.99Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 2.94Å; V262-L265 WeakPolarHBondContact O-CB 3.44Å; V262-L265 PolarHBondContact O-N 3.46Å; V262-E266 WeakPolarHBondContact O-CG 3.37Å; V262-E266 PolarHBondContact O-N 2.94Å; V262-V273 HydrophobicContact CG1-CG1 4.41Å; V262-V273 HydrophobicContact CG1-CG2 4.46Å; V262-W280 HydrophobicContact CG2-CH2 4.26Å; V262-W280 HydrophobicContact CG2-CZ3 4.38Å; V262-L308 HydrophobicContact CG2-CD2 3.75Å
263T94.9Very high89.6Confident0 Ų026 Ų260%014%0.137CC..Hα-helixtrans-61.9-40.8177.3-55.80000111.9L164 P205 I208 S259 V260 L265 E266 M267L164-T263 HydrophobicContact CD2-CG2 3.97Å; P205-T263 HydrophobicContact CG-CG2 4.03Å; I208-T263 HydrophobicContact CD1-CG2 3.58Å; S259-T263 WeakPolarHBondContact O-CB 3.34Å; S259-T263 PolarHBondContact O-N 2.86Å; S259-T263 PolarHBondContact O-OG1 2.82Å; V260-T263 PolarHBondContact O-N 3.49Å; T263-L265 VanDerWaalsContact C-N 3.33Å; T263-L265 PolarHBondContact O-N 3.38Å; T263-E266 PolarHBondContact O-N 3.13Å; T263-M267 HydrophobicContact CG2-CE 4.46Å; T263-M267 WeakPolarHBondContact O-CG 3.41Å; T263-M267 PolarHBondContact O-N 3.26Å
264L95.3Very high88.4Confident0 Ų024.9 Ų24.90%014%0.137CC..Hα-helixtrans-63.9-40.1175.9179.660.5000111.9I179 L183 V260 G261 V262 E266 M267 C268 L303 I304 M307I179-L264 HydrophobicContact CG2-CD1 3.47Å; I179-L264 VanDerWaalsContact CG2-CD1 3.47Å; L183-L264 HydrophobicContact CD1-CD2 4.48Å; L183-L264 HydrophobicContact CD2-CD1 4.04Å; L183-L264 HydrophobicContact CD2-CD2 3.76Å; V260-L264 WeakPolarHBondContact O-CB 3.33Å; V260-L264 PolarHBondContact O-N 2.79Å; G261-L264 PolarHBondContact O-N 2.87Å; V262-L264 VanDerWaalsContact C-N 3.34Å; V262-L264 PolarHBondContact O-N 2.94Å; L264-E266 VanDerWaalsContact C-N 3.34Å; L264-M267 HydrophobicContact CB-CE 4.39Å; L264-M267 HydrophobicContact CD1-CE 3.86Å; L264-M267 PolarHBondContact O-N 3.41Å; L264-C268 PolarHBondContact O-N 3.22Å; L264-C268 VanDerWaalsContact O-N 3.08Å; L264-C268 PolarHBondContact O-SG 3.32Å; L264-L303 HydrophobicContact CD2-CB 4.41Å; L264-I304 HydrophobicContact CB-CG1 4.33Å; L264-I304 HydrophobicContact CD2-CD1 4.37Å; L264-I304 HydrophobicContact CD2-CG1 3.63Å; L264-I304 HydrophobicContact CG-CD1 4.16Å; L264-I304 HydrophobicContact CG-CG1 3.82Å; L264-M307 HydrophobicContact CB-CE 4.22Å; L264-M307 HydrophobicContact CD2-CE 3.36Å; L264-M307 HydrophobicContact CG-CE 4.41Å
265L91.7Very high87.1Confident1 Ų124.5 Ų24.51%0.00514%0.143CC..Hα-helixtrans-61.2-43.4176.2-17963.4000111.5G261 V262 T263 C268 C269 V273 L283 L292 I296 I304 L308G261-L265 WeakPolarHBondContact O-CB 3.47Å; G261-L265 PolarHBondContact O-N 2.67Å; V262-L265 WeakPolarHBondContact O-CB 3.44Å; V262-L265 PolarHBondContact O-N 3.46Å; T263-L265 VanDerWaalsContact C-N 3.33Å; T263-L265 PolarHBondContact O-N 3.38Å; L265-C268 PolarHBondContact O-N 2.82Å; L265-C269 WeakPolarHBondContact O-CB 3.41Å; L265-C269 PolarHBondContact O-N 2.86Å; L265-C269 PolarHBondContact O-SG 2.77Å; L265-V273 HydrophobicContact CD2-CG2 4.26Å; L265-L283 HydrophobicContact CD2-CD1 4.08Å; L265-L283 HydrophobicContact CD2-CD2 3.87Å; L265-L292 HydrophobicContact CD1-CD1 4.35Å; L265-L292 HydrophobicContact CD1-CD2 3.77Å; L265-L292 HydrophobicContact CD1-CG 3.91Å; L265-L292 HydrophobicContact CD2-CD2 3.95Å; L265-L292 HydrophobicContact CG-CD2 4.24Å; L265-I296 HydrophobicContact CD1-CD1 3.93Å; L265-I304 HydrophobicContact CB-CD1 4.38Å; L265-I304 HydrophobicContact CB-CG2 4.36Å; L265-I304 HydrophobicContact CD1-CD1 4.13Å; L265-I304 HydrophobicContact CD1-CG2 4.33Å; L265-L308 HydrophobicContact CD2-CD1 4.32Å
266E90Very high86.2Confident14 Ų1432 Ų327%0.06518%0.178CC..Hα-helixtrans-62.2-44.7176.1-69.6-172.1157.600112.4P205 K240 Y241 V262 T263 L264 C268 C269 D270 V273P205-E266 VanDerWaalsContact CG-OE2 3.27Å; P205-E266 WeakPolarHBondContact CG-OE2 3.48Å; K240-E266 WeakPolarHBondContact CE-OE1 3.45Å; K240-E266 IonicContact NZ-OE1 3.63Å; K240-E266 PolarHBondContact NZ-OE1 3.02Å; Y241-E266 WeakPolarHBondContact CE1-OE2 3.43Å; Y241-E266 VanDerWaalsContact OH-CD 3.31Å; Y241-E266 PolarHBondContact OH-OE1 2.96Å; Y241-E266 PolarHBondContact OH-OE2 3.38Å; V262-E266 WeakPolarHBondContact O-CG 3.37Å; V262-E266 PolarHBondContact O-N 2.94Å; T263-E266 PolarHBondContact O-N 3.13Å; L264-E266 VanDerWaalsContact C-N 3.34Å; E266-C268 PolarHBondContact O-N 3Å; E266-C269 PolarHBondContact O-N 2.88Å; E266-D270 PolarHBondContact O-N 2.89Å; E266-V273 HydrophobicContact CG-CB 4.31Å; E266-V273 HydrophobicContact CG-CG2 3.63Å; E266-V273 WeakPolarHBondContact OE1-CB 3.49Å; E266-V273 PolarHBondContact OE1-N 3.07Å
267M91.5Very high85.3Confident8 Ų834.2 Ų34.24%0.03920%0.2CC..Hα-helixtrans-60.3-34.4175.7-70.6-169.5-68.500112.8L164 L168 I179 F182 T263 L264L164-M267 HydrophobicContact CD1-SD 4.34Å; L164-M267 HydrophobicContact CD2-CG 4.06Å; L164-M267 HydrophobicContact CD2-SD 3.83Å; L168-M267 HydrophobicContact CD1-CG 4.32Å; L168-M267 HydrophobicContact CD2-CG 4.39Å; I179-M267 WeakPolarHBondContact CD1-O 3.35Å; I179-M267 HydrophobicContact CG1-CB 4.34Å; I179-M267 HydrophobicContact CG2-CB 4.35Å; I179-M267 HydrophobicContact CG2-CE 4.42Å; F182-M267 HydrophobicContact CB-SD 4.09Å; F182-M267 HydrophobicContact CD2-SD 4.09Å; T263-M267 HydrophobicContact CG2-CE 4.46Å; T263-M267 WeakPolarHBondContact O-CG 3.41Å; T263-M267 PolarHBondContact O-N 3.26Å; L264-M267 HydrophobicContact CB-CE 4.39Å; L264-M267 HydrophobicContact CD1-CE 3.86Å; L264-M267 PolarHBondContact O-N 3.41Å
268C90.2Very high84.4Confident24 Ų2441.8 Ų41.816%0.16224%0.235CC..Hα-helixtrans-80.2-34.8-178.3-72.50000113.6L264 L265 E266 I296L264-C268 PolarHBondContact O-N 3.22Å; L264-C268 VanDerWaalsContact O-N 3.08Å; L264-C268 PolarHBondContact O-SG 3.32Å; L265-C268 PolarHBondContact O-N 2.82Å; E266-C268 PolarHBondContact O-N 3Å; C268-I296 HydrophobicContact CB-CD1 3.96Å; C268-I296 HydrophobicContact CB-CG1 3.97Å; C268-I296 HydrophobicContact CB-CG2 4.17Å
269C80.8Confident83.5Confident20 Ų2044.8 Ų44.814%0.13525%0.254CS..Hα-helixtrans-101.7-11.5-168.2-64.30000114.5L265 E266 L271 L292 I296L265-C269 WeakPolarHBondContact O-CB 3.41Å; L265-C269 PolarHBondContact O-N 2.86Å; L265-C269 PolarHBondContact O-SG 2.77Å; E266-C269 PolarHBondContact O-N 2.88Å; C269-L271 HydrophobicContact CB-CB 3.98Å; C269-L271 HydrophobicContact CB-CD1 3.87Å; C269-L271 HydrophobicContact CB-CG 3.98Å; C269-L271 WeakPolarHBondContact O-CG 3.4Å; C269-L271 PolarHBondContact O-N 2.86Å; C269-L292 HydrophobicContact CB-CD1 3.77Å; C269-L292 WeakPolarHBondContact SG-CD1 3.39Å; C269-L292 PolarHBondContact SG-O 3.13Å; C269-L292 VanDerWaalsContact SG-O 3.34Å; C269-I296 VanDerWaalsContact SG-CD1 3.5Å
270D72.6Confident82.7Confident96 Ų9644.9 Ų44.951%0.51325%0.254SS..THydrogen-bonded Turntrans49.737.6-169.2-166.536000111.3E266E266-D270 PolarHBondContact O-N 2.89Å
271L69Low82Confident97 Ų9749 Ų4951%0.50827%0.273SS..  trans-119.7133.3-178.3-74.9174.4000109.1C269 V273 L292C269-L271 HydrophobicContact CB-CB 3.98Å; C269-L271 HydrophobicContact CB-CD1 3.87Å; C269-L271 HydrophobicContact CB-CG 3.98Å; C269-L271 WeakPolarHBondContact O-CG 3.4Å; C269-L271 PolarHBondContact O-N 2.86Å; L271-V273 PolarHBondContact O-N 3.37Å; L271-L292 HydrophobicContact CD1-CD1 3.31Å
272D68.4Low81.4Confident134 Ų13451.8 Ų51.872%0.71729%0.287SS*.  trans-71.9108.3164.6-171.37.5000108.3K240K240-D272 IonicContact NZ-OD1 2.81Å; K240-D272 PolarHBondContact NZ-OD1 2.93Å
273V69.1Low81Confident8 Ų852 Ų525%0.04829%0.288CS..  trans-64.1128.2177.1171.10000108.1K240 V262 L265 E266 L271 A275 W280 L283K240-V273 WeakPolarHBondContact CD-O 3.28Å; K240-V273 WeakPolarHBondContact CE-O 3.4Å; K240-V273 PolarHBondContact NZ-O 3.15Å; V262-V273 HydrophobicContact CG1-CG1 4.41Å; V262-V273 HydrophobicContact CG1-CG2 4.46Å; L265-V273 HydrophobicContact CD2-CG2 4.26Å; E266-V273 HydrophobicContact CG-CB 4.31Å; E266-V273 HydrophobicContact CG-CG2 3.63Å; E266-V273 WeakPolarHBondContact OE1-CB 3.49Å; E266-V273 PolarHBondContact OE1-N 3.07Å; L271-V273 PolarHBondContact O-N 3.37Å; V273-A275 PolarHBondContact O-N 3.19Å; V273-W280 HydrophobicContact CG1-CE3 3.63Å; V273-W280 HydrophobicContact CG1-CZ3 3.69Å; V273-L283 HydrophobicContact CG1-CD1 3.59Å; V273-L283 HydrophobicContact CG2-CD1 4.44Å
274P72.2Confident80.6Confident51 Ų5153.3 Ų53.333%0.33129%0.293SS..  trans-65.6134.3-17825.9-33.7000110.4Q276 T279 W280P274-Q276 PolarHBondContact O-N 3.46Å; P274-T279 HydrophobicContact CG-CG2 4.19Å; P274-W280 HydrophobicContact CG-CB 4.39Å; P274-W280 WeakPolarHBondContact O-CB 3.19Å
275A70.4Confident80.2Confident47 Ų4762.1 Ų62.139%0.38833%0.326SS..SBendtrans-68.2-16.9176.600000113.4K240 V273 W280K240-A275 HydrophobicContact CB-CB 4.12Å; K240-A275 HydrophobicContact CG-CB 4.5Å; V273-A275 PolarHBondContact O-N 3.19Å; A275-W280 PolarHBondContact O-NE1 3.28Å
276Q75.3Confident79.8Confident161 Ų16163.6 Ų63.675%0.75234%0.341SS*.SBendtrans-154.6167.8-175.360.5-168.4-900111.5P274P274-Q276 PolarHBondContact O-N 3.46Å
277G79.6Confident79.6Confident45 Ų4566.2 Ų66.246%0.46436%0.359SS..SBendtrans98.5-176.6178.400000114.3W280 Q281G277-W280 WeakPolarHBondContact O-CB 3.26Å; G277-W280 PolarHBondContact O-N 3.01Å; G277-Q281 WeakPolarHBondContact O-CG 3.47Å; G277-Q281 PolarHBondContact O-N 3.29Å; G277-Q281 VanDerWaalsContact O-N 3.09Å
278E78.8Confident79.3Confident161 Ų16166.9 Ų66.975%0.75236%0.362SS*.Hα-helixtrans-65-45.2-169.8-173.4169.6-161.200112.6W280 Q281 M282E278-W280 VanDerWaalsContact C-N 3.28Å; E278-W280 PolarHBondContact O-N 3.04Å; E278-Q281 CarbonylContact O-C 3.57Å; E278-Q281 PolarHBondContact O-N 2.93Å; E278-Q281 VanDerWaalsContact O-N 3.08Å; E278-M282 HydrophobicContact CG-SD 4.5Å; E278-M282 WeakPolarHBondContact O-CG 3.25Å; E278-M282 PolarHBondContact O-N 2.56Å
279T78.8Confident78.9Confident68 Ų6866.9 Ų66.942%0.41736%0.362SS..Hα-helixtrans-58-41.4176.4-49.40000111.6P274 Q281 M282 L283P274-T279 HydrophobicContact CG-CG2 4.19Å; T279-Q281 PolarHBondContact O-N 3.01Å; T279-M282 WeakPolarHBondContact O-CB 3.35Å; T279-M282 PolarHBondContact O-N 3.18Å; T279-L283 WeakPolarHBondContact O-CG 3.47Å; T279-L283 PolarHBondContact O-N 3.49Å
280W80.2Confident78.9Confident6 Ų674.1 Ų74.12%0.02339%0.388CS..Hα-helixtrans-62.6-43.6175.7-179.4-131.1000112.2K240 F258 V262 V273 P274 A275 G277 E278 M282 L283 R284K240-W280 WeakPolarHBondContact O-CH2 3.41Å; K240-W280 WeakPolarHBondContact O-CZ2 3.36Å; K240-W280 WeakPolarHBondContact O-CZ3 3.48Å; F258-W280 HydrophobicContact CE1-CH2 4.09Å; F258-W280 AromaticContact CZ-CH2 3.98Å; F258-W280 HydrophobicContact CZ-CH2 3.98Å; V262-W280 HydrophobicContact CG2-CH2 4.26Å; V262-W280 HydrophobicContact CG2-CZ3 4.38Å; V273-W280 HydrophobicContact CG1-CE3 3.63Å; V273-W280 HydrophobicContact CG1-CZ3 3.69Å; P274-W280 HydrophobicContact CG-CB 4.39Å; P274-W280 WeakPolarHBondContact O-CB 3.19Å; A275-W280 PolarHBondContact O-NE1 3.28Å; G277-W280 WeakPolarHBondContact O-CB 3.26Å; G277-W280 PolarHBondContact O-N 3.01Å; E278-W280 VanDerWaalsContact C-N 3.28Å; E278-W280 PolarHBondContact O-N 3.04Å; W280-M282 VanDerWaalsContact C-N 3.32Å; W280-M282 PolarHBondContact O-N 3.09Å; W280-L283 HydrophobicContact CE3-CB 4.39Å; W280-L283 HydrophobicContact CE3-CD1 4.09Å; W280-L283 HydrophobicContact CZ3-CB 4.49Å; W280-L283 HydrophobicContact CZ3-CD1 4.3Å; W280-L283 PolarHBondContact O-N 3.43Å; W280-R284 HydrophobicContact CH2-CG 4.33Å; W280-R284 HydrophobicContact CZ2-CG 4.1Å; W280-R284 PolarHBondContact O-N 3.01Å; W280-R284 VanDerWaalsContact O-N 3.08Å
281Q83.2Confident79.2Confident86 Ų8676.8 Ų76.840%0.40240%0.397SS..Hα-helixtrans-66.1-33.8176-65.9-62.9-26.800112.2G277 E278 T279 R284 R285G277-Q281 WeakPolarHBondContact O-CG 3.47Å; G277-Q281 PolarHBondContact O-N 3.29Å; G277-Q281 VanDerWaalsContact O-N 3.09Å; E278-Q281 CarbonylContact O-C 3.57Å; E278-Q281 PolarHBondContact O-N 2.93Å; E278-Q281 VanDerWaalsContact O-N 3.08Å; T279-Q281 PolarHBondContact O-N 3.01Å; Q281-R284 PolarHBondContact O-N 3.27Å; Q281-R285 WeakPolarHBondContact O-CB 3.26Å; Q281-R285 VanDerWaalsContact O-CG 3.22Å; Q281-R285 WeakPolarHBondContact O-CG 3.39Å; Q281-R285 PolarHBondContact O-N 3.42Å
282M84.8Confident79.7Confident60 Ų6073.2 Ų73.230%0.29638%0.378SS..Hα-helixtrans-62.9-46.8173.5-71.2176.768.500111.4E278 T279 W280 R284 R285 G286 T287 P289E278-M282 HydrophobicContact CG-SD 4.5Å; E278-M282 WeakPolarHBondContact O-CG 3.25Å; E278-M282 PolarHBondContact O-N 2.56Å; T279-M282 WeakPolarHBondContact O-CB 3.35Å; T279-M282 PolarHBondContact O-N 3.18Å; W280-M282 VanDerWaalsContact C-N 3.32Å; W280-M282 PolarHBondContact O-N 3.09Å; M282-R284 VanDerWaalsContact C-N 3.34Å; M282-R284 PolarHBondContact O-N 3.13Å; M282-R285 CarbonylContact O-C 3.45Å; M282-R285 WeakPolarHBondContact O-CA 3.39Å; M282-R285 WeakPolarHBondContact O-CB 3.27Å; M282-R285 PolarHBondContact O-N 3.15Å; M282-G286 PolarHBondContact O-N 3.5Å; M282-T287 CarbonylContact C-O 3.35Å; M282-T287 HydrophobicContact CE-CG2 3.8Å; M282-T287 PolarHBondContact O-N 3.37Å; M282-P289 HydrophobicContact CE-CG 4.12Å
283L85Confident80.4Confident4 Ų468.6 Ų68.62%0.02135%0.353CS..Hα-helixtrans-58.7-45.3176.5-66.2177.3000111.4L265 V273 T279 W280 R285 G286 L288 L292L265-L283 HydrophobicContact CD2-CD1 4.08Å; L265-L283 HydrophobicContact CD2-CD2 3.87Å; V273-L283 HydrophobicContact CG1-CD1 3.59Å; V273-L283 HydrophobicContact CG2-CD1 4.44Å; T279-L283 WeakPolarHBondContact O-CG 3.47Å; T279-L283 PolarHBondContact O-N 3.49Å; W280-L283 HydrophobicContact CE3-CB 4.39Å; W280-L283 HydrophobicContact CE3-CD1 4.09Å; W280-L283 HydrophobicContact CZ3-CB 4.49Å; W280-L283 HydrophobicContact CZ3-CD1 4.3Å; W280-L283 PolarHBondContact O-N 3.43Å; L283-R285 PolarHBondContact O-N 3.26Å; L283-G286 WeakPolarHBondContact O-CA 3.24Å; L283-G286 PolarHBondContact O-N 3.35Å; L283-L288 HydrophobicContact CD2-CD2 3.47Å; L283-L288 VanDerWaalsContact CD2-CD2 3.47Å; L283-L292 HydrophobicContact CD2-CD2 3.96Å
284R84.8Confident81.1Confident29 Ų2971.3 Ų71.311%0.10938%0.376CS..Hα-helixtrans-66.1-22.3175.7-75.2-172.7173.1-164.66.6114.1S239 L242 F258 W280 Q281 M282S239-R284 PolarHBondContact O-NH2 3.24Å; L242-R284 PolarHBondContact O-NH2 3.15Å; F258-R284 HydrophobicContact CZ-CG 4.06Å; W280-R284 HydrophobicContact CH2-CG 4.33Å; W280-R284 HydrophobicContact CZ2-CG 4.1Å; W280-R284 PolarHBondContact O-N 3.01Å; W280-R284 VanDerWaalsContact O-N 3.08Å; Q281-R284 PolarHBondContact O-N 3.27Å; M282-R284 VanDerWaalsContact C-N 3.34Å; M282-R284 PolarHBondContact O-N 3.13Å
285R87.1Confident81.6Confident184 Ų18473 Ų7369%0.69439%0.389SS*.THydrogen-bonded Turntrans-85.66.4170.7-69.9173.3-172.2-157.84.2112.6Q281 M282 L283 T287 P310Q281-R285 WeakPolarHBondContact O-CB 3.26Å; Q281-R285 VanDerWaalsContact O-CG 3.22Å; Q281-R285 WeakPolarHBondContact O-CG 3.39Å; Q281-R285 PolarHBondContact O-N 3.42Å; M282-R285 CarbonylContact O-C 3.45Å; M282-R285 WeakPolarHBondContact O-CA 3.39Å; M282-R285 WeakPolarHBondContact O-CB 3.27Å; M282-R285 PolarHBondContact O-N 3.15Å; L283-R285 PolarHBondContact O-N 3.26Å; R285-T287 PolarHBondContact O-N 3.07Å; R285-P310 WeakPolarHBondContact O-CG 3.36Å
286G83.4Confident82.6Confident32 Ų3271.4 Ų71.433%0.3337%0.374SS..THydrogen-bonded Turntrans72.213.1-179.600000113.3M282 L283M282-G286 PolarHBondContact O-N 3.5Å; L283-G286 WeakPolarHBondContact O-CA 3.24Å; L283-G286 PolarHBondContact O-N 3.35Å
287T86.4Confident83.3Confident70 Ų7065.1 Ų65.143%0.42935%0.347SS..  trans-94.7110.6177.6-54.80000108.8M282 R285M282-T287 CarbonylContact C-O 3.35Å; M282-T287 HydrophobicContact CE-CG2 3.8Å; M282-T287 PolarHBondContact O-N 3.37Å; R285-T287 PolarHBondContact O-N 3.07Å
288L84.6Confident83.9Confident21 Ų2167.1 Ų67.111%0.1135%0.354CS..  trans-94118.6172.7-58.7179.3000109.3L283 I293 I304 Q305 L308L283-L288 HydrophobicContact CD2-CD2 3.47Å; L283-L288 VanDerWaalsContact CD2-CD2 3.47Å; L288-I293 HydrophobicContact CB-CG2 3.52Å; L288-I293 HydrophobicContact CD1-CG2 3.74Å; L288-I293 HydrophobicContact CG-CG2 4.23Å; L288-I304 HydrophobicContact CD1-CG2 3.89Å; L288-I304 HydrophobicContact CD2-CG2 4.34Å; L288-Q305 HydrophobicContact CD1-CG 3.5Å; L288-Q305 HydrophobicContact CG-CG 4.41Å; L288-L308 HydrophobicContact CD2-CD1 4.11Å
289P82.1Confident84.5Confident25 Ų2561.1 Ų61.116%0.16233%0.327CS..  trans-56.3142.1174.9-23.833.4000111.6M282 E291 L292 I293M282-P289 HydrophobicContact CE-CG 4.12Å; P289-E291 WeakPolarHBondContact CB-OE2 3.27Å; P289-E291 PolarHBondContact O-N 3.42Å; P289-L292 HydrophobicContact CB-CB 4.31Å; P289-L292 VanDerWaalsContact O-CB 3.32Å; P289-L292 WeakPolarHBondContact O-CB 3.44Å; P289-L292 PolarHBondContact O-N 2.97Å; P289-I293 PolarHBondContact O-N 3.04Å
290Y81.2Confident85.2Confident172 Ų17257.9 Ų57.968%0.67531%0.307SS*.Hα-helixtrans-59.2-37.5-178.3177.5-102.6000111.7L292 I293 A294Y290-L292 PolarHBondContact O-N 3.49Å; Y290-I293 WeakPolarHBondContact O-CG1 3.39Å; Y290-I293 PolarHBondContact O-N 3.49Å; Y290-A294 HydrophobicContact CE1-CB 4.29Å; Y290-A294 VanDerWaalsContact O-CB 3.27Å; Y290-A294 WeakPolarHBondContact O-CB 3.27Å; Y290-A294 PolarHBondContact O-N 2.86Å
291E79.3Confident85.8Confident151 Ų15158.2 Ų58.271%0.70631%0.31SS*.Hα-helixtrans-60.7-31.6179.1-57.872.6-156.500112P289P289-E291 WeakPolarHBondContact CB-OE2 3.27Å; P289-E291 PolarHBondContact O-N 3.42Å
292L78.3Confident86.4Confident22 Ų2258.5 Ų58.512%0.11531%0.312CS..Hα-helixtrans-78.5-42.1-179.7-173.764.6000111.7L265 C269 L271 L283 P289 Y290L265-L292 HydrophobicContact CD1-CD1 4.35Å; L265-L292 HydrophobicContact CD1-CD2 3.77Å; L265-L292 HydrophobicContact CD1-CG 3.91Å; L265-L292 HydrophobicContact CD2-CD2 3.95Å; L265-L292 HydrophobicContact CG-CD2 4.24Å; C269-L292 HydrophobicContact CB-CD1 3.77Å; C269-L292 WeakPolarHBondContact SG-CD1 3.39Å; C269-L292 PolarHBondContact SG-O 3.13Å; C269-L292 VanDerWaalsContact SG-O 3.34Å; L271-L292 HydrophobicContact CD1-CD1 3.31Å; L283-L292 HydrophobicContact CD2-CD2 3.96Å; P289-L292 HydrophobicContact CB-CB 4.31Å; P289-L292 VanDerWaalsContact O-CB 3.32Å; P289-L292 WeakPolarHBondContact O-CB 3.44Å; P289-L292 PolarHBondContact O-N 2.97Å; Y290-L292 PolarHBondContact O-N 3.49Å
293I83.5Confident86.9Confident38 Ų3855.9 Ų55.920%0.19530%0.299CS..Hα-helixtrans-88.4-15.4-173.963176.9000113.6L288 P289 Y290 S295 I296L288-I293 HydrophobicContact CB-CG2 3.52Å; L288-I293 HydrophobicContact CD1-CG2 3.74Å; L288-I293 HydrophobicContact CG-CG2 4.23Å; P289-I293 PolarHBondContact O-N 3.04Å; Y290-I293 WeakPolarHBondContact O-CG1 3.39Å; Y290-I293 PolarHBondContact O-N 3.49Å; I293-S295 PolarHBondContact O-N 3.03Å; I293-I296 HydrophobicContact CG2-CD1 4.42Å; I293-I296 PolarHBondContact O-N 3.26Å
294A84Confident87.4Confident64 Ų6455.7 Ų55.753%0.52930%0.298SS..THydrogen-bonded Turntrans-61.3-27.9-174.900000113.7Y290Y290-A294 HydrophobicContact CE1-CB 4.29Å; Y290-A294 VanDerWaalsContact O-CB 3.27Å; Y290-A294 WeakPolarHBondContact O-CB 3.27Å; Y290-A294 PolarHBondContact O-N 2.86Å
295S83.4Confident87.8Confident86 Ų8659 Ų5960%0.60132%0.315SS*.THydrogen-bonded Turntrans-88.6-15.3176.1560000113.7I293I293-S295 PolarHBondContact O-N 3.03Å
296I89.9Confident88.3Confident14 Ų1454.3 Ų54.37%0.07230%0.301CS..SBendtrans-85.2133.1-172.7-49.2-178.1000109.6L265 C268 C269 I293 S298 L300 C301 I304L265-I296 HydrophobicContact CD1-CD1 3.93Å; C268-I296 HydrophobicContact CB-CD1 3.96Å; C268-I296 HydrophobicContact CB-CG1 3.97Å; C268-I296 HydrophobicContact CB-CG2 4.17Å; C269-I296 VanDerWaalsContact SG-CD1 3.5Å; I293-I296 HydrophobicContact CG2-CD1 4.42Å; I293-I296 PolarHBondContact O-N 3.26Å; I296-S298 PolarHBondContact O-N 3.07Å; I296-L300 HydrophobicContact CG2-CB 3.83Å; I296-C301 HydrophobicContact CB-CB 4.48Å; I296-C301 HydrophobicContact CG2-CB 4.21Å; I296-I304 HydrophobicContact CD1-CD1 3.88Å; I296-I304 HydrophobicContact CG2-CD1 4.29Å
297P91Very high88.9Confident29 Ų2952.9 Ų52.919%0.18829%0.285CS..  trans-51.2137.4168.7-28.136.1000112.1D176 D299 L300 C301D176-P297 HydrophobicContact CB-CG 4.31Å; D176-P297 VanDerWaalsContact CG-CG 3.49Å; D176-P297 VanDerWaalsContact OD2-CG 3.26Å; D176-P297 WeakPolarHBondContact OD2-CG 3.39Å; P297-D299 WeakPolarHBondContact CB-OD1 3.22Å; P297-D299 PolarHBondContact O-N 2.86Å; P297-D299 VanDerWaalsContact O-N 3.15Å; P297-L300 HydrophobicContact CB-CB 4.46Å; P297-L300 HydrophobicContact CB-CD1 4.35Å; P297-L300 HydrophobicContact CB-CG 4.42Å; P297-L300 HydrophobicContact CG-CD1 4.09Å; P297-L300 PolarHBondContact O-N 3.21Å; P297-C301 PolarHBondContact O-N 3.49Å
298S91.3Very high89.3Confident88 Ų8849.6 Ų49.662%0.61527%0.265SS*.Hα-helixtrans-57.6-35.8-172.860.90000113.2I296 C301 E302I296-S298 PolarHBondContact O-N 3.07Å; S298-C301 PolarHBondContact O-N 3.2Å; S298-E302 VanDerWaalsContact O-CG 3.31Å; S298-E302 WeakPolarHBondContact O-CG 3.2Å; S298-E302 PolarHBondContact O-N 3.45Å
299D92.4Very high89.9Confident34 Ų3450.3 Ų50.318%0.18227%0.269CS..Hα-helixtrans-68-39.6177.960.6-24.6000112.8R180 P297 L303 C326R180-D299 IonicContact CZ-OD2 2.65Å; R180-D299 IonicContact NE-OD2 3.52Å; R180-D299 IonicContact NH2-OD1 3.29Å; R180-D299 PolarHBondContact NH2-OD1 3.04Å; R180-D299 IonicContact NH2-OD2 3.11Å; R180-D299 PolarHBondContact NH2-OD2 3.04Å; P297-D299 WeakPolarHBondContact CB-OD1 3.22Å; P297-D299 PolarHBondContact O-N 2.86Å; P297-D299 VanDerWaalsContact O-N 3.15Å; D299-L303 PolarHBondContact O-N 3.24Å; D299-C326 HydrophobicContact CB-CB 4.03Å; D299-C326 PolarHBondContact OD2-SG 3.23Å; D299-C326 VanDerWaalsContact OD2-SG 3.33Å
300L93.8Very high90.4Very high0 Ų052.5 Ų52.50%028%0.283CS..Hα-helixtrans-70.3-39172.7-69.1178.3000111.5I179 R180 I296 P297 E302 L303 I304I179-L300 HydrophobicContact CG2-CD1 4.28Å; R180-L300 HydrophobicContact CG-CD2 4.03Å; I296-L300 HydrophobicContact CG2-CB 3.83Å; P297-L300 HydrophobicContact CB-CB 4.46Å; P297-L300 HydrophobicContact CB-CD1 4.35Å; P297-L300 HydrophobicContact CB-CG 4.42Å; P297-L300 HydrophobicContact CG-CD1 4.09Å; P297-L300 PolarHBondContact O-N 3.21Å; L300-E302 VanDerWaalsContact C-N 3.33Å; L300-E302 PolarHBondContact O-N 3.46Å; L300-L303 HydrophobicContact CD2-CD1 4.49Å; L300-L303 WeakPolarHBondContact O-CB 3.43Å; L300-L303 PolarHBondContact O-N 3.23Å; L300-I304 WeakPolarHBondContact O-CG1 3.31Å; L300-I304 PolarHBondContact O-N 3.24Å
301C93.3Very high91.1Very high13 Ų1347.2 Ų47.29%0.08827%0.267CS..Hα-helixtrans-60.9-41.7175.1-174.50000111.8I296 P297 S298 L303 I304 Q305I296-C301 HydrophobicContact CB-CB 4.48Å; I296-C301 HydrophobicContact CG2-CB 4.21Å; P297-C301 PolarHBondContact O-N 3.49Å; S298-C301 PolarHBondContact O-N 3.2Å; C301-L303 VanDerWaalsContact C-N 3.32Å; C301-L303 PolarHBondContact O-N 3.13Å; C301-I304 PolarHBondContact O-N 2.98Å; C301-Q305 WeakPolarHBondContact O-CG 3.36Å; C301-Q305 PolarHBondContact O-N 3Å
302E93.9Very high91.8Very high92 Ų9241.7 Ų41.743%0.4324%0.24SC..Hα-helixtrans-58.3-43.4173.7-77.4169.5-161.300111.6S298 L300 Q305 Q306S298-E302 VanDerWaalsContact O-CG 3.31Å; S298-E302 WeakPolarHBondContact O-CG 3.2Å; S298-E302 PolarHBondContact O-N 3.45Å; L300-E302 VanDerWaalsContact C-N 3.33Å; L300-E302 PolarHBondContact O-N 3.46Å; E302-Q305 PolarHBondContact O-N 2.81Å; E302-Q306 VanDerWaalsContact O-CG 3.26Å; E302-Q306 WeakPolarHBondContact O-CG 3.05Å; E302-Q306 PolarHBondContact O-N 2.74Å
303L95.9Very high92.7Very high5 Ų547.9 Ų47.93%0.02627%0.266CS..Hα-helixtrans-64.9-43.6176.4-69.2-178.4000112.4L183 L264 D299 L300 C301 Q305 Q306 M307 L321 C326 L327L183-L303 HydrophobicContact CD2-CD1 4.22Å; L264-L303 HydrophobicContact CD2-CB 4.41Å; D299-L303 PolarHBondContact O-N 3.24Å; L300-L303 HydrophobicContact CD2-CD1 4.49Å; L300-L303 WeakPolarHBondContact O-CB 3.43Å; L300-L303 PolarHBondContact O-N 3.23Å; C301-L303 VanDerWaalsContact C-N 3.32Å; C301-L303 PolarHBondContact O-N 3.13Å; L303-Q305 VanDerWaalsContact C-N 3.34Å; L303-Q305 PolarHBondContact O-N 2.77Å; L303-Q306 PolarHBondContact O-N 2.74Å; L303-M307 HydrophobicContact CB-CE 4.15Å; L303-M307 WeakPolarHBondContact O-CE 3.14Å; L303-M307 WeakPolarHBondContact O-CG 3.49Å; L303-M307 PolarHBondContact O-N 3.03Å; L303-L321 HydrophobicContact CD2-CD2 3.88Å; L303-C326 HydrophobicContact CD1-CB 3.83Å; L303-C326 HydrophobicContact CG-CB 4.29Å; L303-L327 HydrophobicContact CD1-CD1 4.03Å; L303-L327 HydrophobicContact CD1-CD2 4.36Å; L303-L327 HydrophobicContact CD1-CG 3.98Å
304I95.2Very high93.3Very high0 Ų051.8 Ų51.80%028%0.283CS..Hα-helixtrans-59.1-46.6176.9-66.7166.4000110.1L264 L265 L288 I296 L300 C301 Q306 M307 L308L264-I304 HydrophobicContact CB-CG1 4.33Å; L264-I304 HydrophobicContact CD2-CD1 4.37Å; L264-I304 HydrophobicContact CD2-CG1 3.63Å; L264-I304 HydrophobicContact CG-CD1 4.16Å; L264-I304 HydrophobicContact CG-CG1 3.82Å; L265-I304 HydrophobicContact CB-CD1 4.38Å; L265-I304 HydrophobicContact CB-CG2 4.36Å; L265-I304 HydrophobicContact CD1-CD1 4.13Å; L265-I304 HydrophobicContact CD1-CG2 4.33Å; L288-I304 HydrophobicContact CD1-CG2 3.89Å; L288-I304 HydrophobicContact CD2-CG2 4.34Å; I296-I304 HydrophobicContact CD1-CD1 3.88Å; I296-I304 HydrophobicContact CG2-CD1 4.29Å; L300-I304 WeakPolarHBondContact O-CG1 3.31Å; L300-I304 PolarHBondContact O-N 3.24Å; C301-I304 PolarHBondContact O-N 2.98Å; I304-Q306 VanDerWaalsContact C-N 3.33Å; I304-Q306 PolarHBondContact O-N 3.46Å; I304-M307 PolarHBondContact O-N 3.27Å; I304-L308 HydrophobicContact CG2-CD1 3.69Å; I304-L308 HydrophobicContact CG2-CG 4.22Å; I304-L308 WeakPolarHBondContact O-CB 3.45Å; I304-L308 WeakPolarHBondContact O-CG 3.23Å; I304-L308 PolarHBondContact O-N 3.47Å
305Q94.3Very high94Very high99 Ų9949.7 Ų49.746%0.46326%0.262SS..Hα-helixtrans-61.5-40.2178.5-72.3176.15.100112.4L288 C301 E302 L303 N309L288-Q305 HydrophobicContact CD1-CG 3.5Å; L288-Q305 HydrophobicContact CG-CG 4.41Å; C301-Q305 WeakPolarHBondContact O-CG 3.36Å; C301-Q305 PolarHBondContact O-N 3Å; E302-Q305 PolarHBondContact O-N 2.81Å; L303-Q305 VanDerWaalsContact C-N 3.34Å; L303-Q305 PolarHBondContact O-N 2.77Å; Q305-N309 PolarHBondContact O-N 3.26Å
306Q96.1Very high94.7Very high86 Ų8646.8 Ų46.840%0.40224%0.241SC..Hα-helixtrans-65-42175.8-71.6170.52100111.9E302 L303 I304 P316E302-Q306 VanDerWaalsContact O-CG 3.26Å; E302-Q306 WeakPolarHBondContact O-CG 3.05Å; E302-Q306 PolarHBondContact O-N 2.74Å; L303-Q306 PolarHBondContact O-N 2.74Å; I304-Q306 VanDerWaalsContact C-N 3.33Å; I304-Q306 PolarHBondContact O-N 3.46Å; Q306-P316 HydrophobicContact CB-CG 4.04Å; Q306-P316 WeakPolarHBondContact O-CD 3.29Å
307M97.3Very high95.1Very high1 Ų148.2 Ų48.21%0.00525%0.252CS..Hα-helixtrans-73.4-30.9-179.6-69.3-172.4-73.900113.3V257 V260 L264 L303 I304 R315 L321V257-M307 HydrophobicContact CG1-CB 4.05Å; V257-M307 HydrophobicContact CG1-CG 3.75Å; V260-M307 HydrophobicContact CB-SD 4.33Å; V260-M307 HydrophobicContact CG1-SD 3.81Å; L264-M307 HydrophobicContact CB-CE 4.22Å; L264-M307 HydrophobicContact CD2-CE 3.36Å; L264-M307 HydrophobicContact CG-CE 4.41Å; L303-M307 HydrophobicContact CB-CE 4.15Å; L303-M307 WeakPolarHBondContact O-CE 3.14Å; L303-M307 WeakPolarHBondContact O-CG 3.49Å; L303-M307 PolarHBondContact O-N 3.03Å; I304-M307 PolarHBondContact O-N 3.27Å; M307-R315 WeakPolarHBondContact O-CD 3.27Å; M307-R315 PolarHBondContact O-NE 3.33Å; M307-L321 HydrophobicContact CG-CD1 3.95Å; M307-L321 HydrophobicContact CG-CD2 4.02Å; M307-L321 HydrophobicContact SD-CD1 3.79Å; M307-L321 HydrophobicContact SD-CD2 4.26Å
308L95.1Very high95.4Very high2 Ų247 Ų471%0.0124%0.244CC..THydrogen-bonded Turntrans-94.315.9178-59.6-176.2000113.4F258 V262 L265 L288 I304F258-L308 HydrophobicContact CD2-CD2 3.58Å; F258-L308 HydrophobicContact CE2-CD2 3.58Å; F258-L308 HydrophobicContact CG-CD2 4.2Å; F258-L308 HydrophobicContact CZ-CD2 4.19Å; V262-L308 HydrophobicContact CG2-CD2 3.75Å; L265-L308 HydrophobicContact CD2-CD1 4.32Å; L288-L308 HydrophobicContact CD2-CD1 4.11Å; I304-L308 HydrophobicContact CG2-CD1 3.69Å; I304-L308 HydrophobicContact CG2-CG 4.22Å; I304-L308 WeakPolarHBondContact O-CB 3.45Å; I304-L308 WeakPolarHBondContact O-CG 3.23Å; I304-L308 PolarHBondContact O-N 3.47Å
309N95.7Very high95.7Very high35 Ų3543.8 Ų43.819%0.18722%0.222CC..  trans-57128178.8-171.3-33.8000110.4Q305 N311 E314 R315Q305-N309 PolarHBondContact O-N 3.26Å; N309-N311 PolarHBondContact O-N 2.8Å; N309-N311 PolarHBondContact OD1-N 2.79Å; N309-E314 VanDerWaalsContact ND2-CB 3.3Å; N309-E314 WeakPolarHBondContact ND2-CB 3.38Å; N309-E314 PolarHBondContact ND2-OE2 2.81Å; N309-R315 HydrophobicContact CB-CG 4.02Å; N309-R315 PolarHBondContact O-NE 2.88Å; N309-R315 PolarHBondContact O-NH2 2.86Å
310P93.7Very high95.9Very high71 Ų7146 Ų4646%0.46123%0.233SC..SBendtrans-59.5-33.8177.7-26.836.8000113.5R285 Y312R285-P310 WeakPolarHBondContact O-CG 3.36Å; P310-Y312 PolarHBondContact O-N 2.7Å
311N95.3Very high96.1Very high61 Ų6146 Ų4633%0.32623%0.234SC..SBendtrans-80.398.8169.2-173.51000108.7N309 K313 E314N309-N311 PolarHBondContact O-N 2.8Å; N309-N311 PolarHBondContact OD1-N 2.79Å; N311-K313 PolarHBondContact O-N 3.4Å; N311-K313 PolarHBondContact OD1-N 3.21Å; N311-E314 HydrophobicContact CB-CB 4.24Å; N311-E314 HydrophobicContact CB-CG 4.11Å; N311-E314 VanDerWaalsContact ND2-CD 3.32Å; N311-E314 WeakPolarHBondContact ND2-CG 3.4Å; N311-E314 PolarHBondContact ND2-OE1 3.49Å; N311-E314 WeakPolarHBondContact O-CB 3.45Å; N311-E314 PolarHBondContact O-N 2.8Å
312Y95.5Very high96.2Very high35 Ų3546.3 Ų46.314%0.13723%0.234CC..G310 helixtrans-56.7-25.9-178.766.6-89.8000113.9E245 E250 H254 P310 E314 R315E245-Y312 HydrophobicContact CB-CD1 3.7Å; E245-Y312 HydrophobicContact CB-CE1 4.08Å; E245-Y312 HydrophobicContact CB-CG 4.17Å; E245-Y312 HydrophobicContact CG-CD1 3.83Å; E245-Y312 HydrophobicContact CG-CD2 4.3Å; E245-Y312 HydrophobicContact CG-CE1 4.44Å; E245-Y312 HydrophobicContact CG-CG 3.74Å; E250-Y312 PolarHBondContact OE2-OH 2.72Å; H254-Y312 WeakPolarHBondContact CB-O 3.29Å; H254-Y312 AromaticContact CE1-CD2 3.64Å; H254-Y312 AromaticContact CE1-CE2 3.93Å; H254-Y312 AromaticContact CG-CD2 3.97Å; H254-Y312 AromaticContact ND1-CD2 3.6Å; P310-Y312 PolarHBondContact O-N 2.7Å; Y312-E314 VanDerWaalsContact C-N 3.3Å; Y312-E314 PolarHBondContact O-N 3.21Å; Y312-R315 PolarHBondContact O-N 2.92Å
313K96.1Very high96.3Very high153 Ų15350.1 Ų50.167%0.66524%0.244SC*.G310 helixtrans-74.4-19.3177.5-60.8-177.2-179.5177.20113.3N311N311-K313 PolarHBondContact O-N 3.4Å; N311-K313 PolarHBondContact OD1-N 3.21Å
314E97.2Very high96.2Very high120 Ų12051 Ų5156%0.56125%0.251SS*.G310 helixtrans-90.7-7.4176.4-73.4173.4-154.300112.8N309 N311 Y312N309-E314 VanDerWaalsContact ND2-CB 3.3Å; N309-E314 WeakPolarHBondContact ND2-CB 3.38Å; N309-E314 PolarHBondContact ND2-OE2 2.81Å; N311-E314 HydrophobicContact CB-CB 4.24Å; N311-E314 HydrophobicContact CB-CG 4.11Å; N311-E314 VanDerWaalsContact ND2-CD 3.32Å; N311-E314 WeakPolarHBondContact ND2-CG 3.4Å; N311-E314 PolarHBondContact ND2-OE1 3.49Å; N311-E314 WeakPolarHBondContact O-CB 3.45Å; N311-E314 PolarHBondContact O-N 2.8Å; Y312-E314 VanDerWaalsContact C-N 3.3Å; Y312-E314 PolarHBondContact O-N 3.21Å
315R97.8Very high95.9Very high20 Ų2060.7 Ų60.78%0.07529%0.288CS..SBendtrans-66.5133.6174.7-63.4178.3-164.5146.210.6109.3E245 H254 V257 M307 N309 Y312E245-R315 IonicContact OE1-CZ 2.63Å; E245-R315 IonicContact OE1-NH1 3.52Å; E245-R315 PolarHBondContact OE1-NH1 2.92Å; E245-R315 IonicContact OE1-NH2 3.55Å; E245-R315 IonicContact OE2-CZ 3.28Å; E245-R315 IonicContact OE2-NH1 3.66Å; E245-R315 IonicContact OE2-NH2 2.9Å; E245-R315 PolarHBondContact OE2-NH2 2.77Å; H254-R315 HydrophobicContact CB-CB 4.46Å; H254-R315 PolarHBondContact O-NH1 3.02Å; V257-R315 HydrophobicContact CG1-CB 4.19Å; M307-R315 WeakPolarHBondContact O-CD 3.27Å; M307-R315 PolarHBondContact O-NE 3.33Å; N309-R315 HydrophobicContact CB-CG 4.02Å; N309-R315 PolarHBondContact O-NE 2.88Å; N309-R315 PolarHBondContact O-NH2 2.86Å; Y312-R315 PolarHBondContact O-N 2.92Å
316P97.8Very high95.6Very high25 Ų2556.5 Ų56.516%0.16227%0.269CS..PPolyproline II helixtrans-66.2152.118028.8-35.9000111Q306 D320 L321Q306-P316 HydrophobicContact CB-CG 4.04Å; Q306-P316 WeakPolarHBondContact O-CD 3.29Å; P316-D320 HydrophobicContact CB-CB 4.24Å; P316-L321 HydrophobicContact CB-CD2 4.29Å; P316-L321 HydrophobicContact CB-CG 4.18Å; P316-L321 HydrophobicContact CG-CD1 4.29Å; P316-L321 HydrophobicContact CG-CD2 3.52Å; P316-L321 HydrophobicContact CG-CG 3.76Å
317S98.3Very high95.4Very high44 Ų4452.4 Ų52.431%0.30825%0.25SS..PPolyproline II helixtrans-67.9156.7169.6780000110.5S319 D320 L321S317-S319 PolarHBondContact O-N 2.81Å; S317-S319 VanDerWaalsContact O-N 3.17Å; S317-S319 PolarHBondContact OG-N 3.07Å; S317-D320 WeakPolarHBondContact CB-OD2 3.16Å; S317-D320 PolarHBondContact O-N 2.85Å; S317-D320 PolarHBondContact OG-N 2.96Å; S317-D320 VanDerWaalsContact OG-N 3.15Å; S317-D320 PolarHBondContact OG-OD2 2.91Å; S317-L321 PolarHBondContact O-N 2.85Å
318V98Very high94.9Very high3 Ų355.2 Ų55.22%0.01827%0.269CS..Hα-helixtrans-58.4-28.7172.6-65.70000112.9L187 V190 K191 H194 V257 L322L187-V318 HydrophobicContact CD2-CB 4.2Å; L187-V318 HydrophobicContact CD2-CG1 3.97Å; V190-V318 HydrophobicContact CB-CG1 4.18Å; V190-V318 HydrophobicContact CG1-CG1 3.69Å; K191-V318 HydrophobicContact CB-CG2 3.74Å; K191-V318 HydrophobicContact CG-CG2 4.28Å; H194-V318 HydrophobicContact CB-CG2 4.49Å; V257-V318 HydrophobicContact CG2-CG1 4.05Å; V318-L322 WeakPolarHBondContact O-CG 3.4Å; V318-L322 PolarHBondContact O-N 2.72Å; V318-L322 VanDerWaalsContact O-N 3.1Å
319S96.9Very high94.2Very high21 Ų2158.4 Ų58.415%0.14729%0.291CS..Hα-helixtrans-69.2-34.1174.4-61.40000112.1K191 S317 R323K191-S319 PolarHBondContact NZ-OG 3.44Å; S317-S319 PolarHBondContact O-N 2.81Å; S317-S319 VanDerWaalsContact O-N 3.17Å; S317-S319 PolarHBondContact OG-N 3.07Å; S319-R323 WeakPolarHBondContact O-CG 3.32Å; S319-R323 PolarHBondContact O-N 3.33Å
320D97.6Very high93.6Very high79 Ų7960.7 Ų60.742%0.42230%0.298SS..Hα-helixtrans-78-37177.1-58-40.6000111.4P316 S317 L322 R323 S324P316-D320 HydrophobicContact CB-CB 4.24Å; S317-D320 WeakPolarHBondContact CB-OD2 3.16Å; S317-D320 PolarHBondContact O-N 2.85Å; S317-D320 PolarHBondContact OG-N 2.96Å; S317-D320 VanDerWaalsContact OG-N 3.15Å; S317-D320 PolarHBondContact OG-OD2 2.91Å; D320-L322 PolarHBondContact O-N 3.46Å; D320-R323 CarbonylContact O-C 3.57Å; D320-R323 PolarHBondContact O-N 2.77Å; D320-R323 IonicContact OD1-NH1 3.75Å; D320-R323 PolarHBondContact OD1-NH1 2.9Å; D320-S324 PolarHBondContact O-N 2.62Å
321L97.6Very high93.2Very high2 Ų257.7 Ų57.71%0.0128%0.279CS..Hα-helixtrans-58-46.4172.2-71.5170.4000111.7L187 V257 L303 M307 P316 S317 R323 S324L187-L321 HydrophobicContact CD1-CB 3.88Å; L187-L321 HydrophobicContact CD2-CB 4.15Å; L187-L321 HydrophobicContact CD2-CD1 3.79Å; V257-L321 HydrophobicContact CG1-CD1 4.08Å; L303-L321 HydrophobicContact CD2-CD2 3.88Å; M307-L321 HydrophobicContact CG-CD1 3.95Å; M307-L321 HydrophobicContact CG-CD2 4.02Å; M307-L321 HydrophobicContact SD-CD1 3.79Å; M307-L321 HydrophobicContact SD-CD2 4.26Å; P316-L321 HydrophobicContact CB-CD2 4.29Å; P316-L321 HydrophobicContact CB-CG 4.18Å; P316-L321 HydrophobicContact CG-CD1 4.29Å; P316-L321 HydrophobicContact CG-CD2 3.52Å; P316-L321 HydrophobicContact CG-CG 3.76Å; S317-L321 PolarHBondContact O-N 2.85Å; L321-R323 PolarHBondContact O-N 2.92Å; L321-S324 WeakPolarHBondContact O-CB 3.37Å; L321-S324 PolarHBondContact O-N 2.91Å; L321-S324 PolarHBondContact O-OG 2.77Å
322L95.8Very high92.5Very high19 Ų1960.7 Ų60.710%0.09929%0.287CS..Hα-helixtrans-61.7-26.3175.5-76.1167.6000113.3I184 L187 K191 V318 D320 A331I184-L322 HydrophobicContact CG2-CD2 4.38Å; L187-L322 HydrophobicContact CB-CD1 4.33Å; L187-L322 HydrophobicContact CB-CD2 3.78Å; L187-L322 HydrophobicContact CB-CG 3.89Å; L187-L322 HydrophobicContact CD1-CD2 4.16Å; L187-L322 HydrophobicContact CD1-CG 4.24Å; K191-L322 HydrophobicContact CD-CD1 4.06Å; V318-L322 WeakPolarHBondContact O-CG 3.4Å; V318-L322 PolarHBondContact O-N 2.72Å; V318-L322 VanDerWaalsContact O-N 3.1Å; D320-L322 PolarHBondContact O-N 3.46Å; L322-A331 HydrophobicContact CD2-CB 4.48Å
323R94.2Very high91.8Very high171 Ų17161.8 Ų61.865%0.64530%0.295SS*.Hα-helixtrans-92.1-4.3176.5-66.5178.9-162.1124.4-2.4113.6S319 D320 L321S319-R323 WeakPolarHBondContact O-CG 3.32Å; S319-R323 PolarHBondContact O-N 3.33Å; D320-R323 CarbonylContact O-C 3.57Å; D320-R323 PolarHBondContact O-N 2.77Å; D320-R323 IonicContact OD1-NH1 3.75Å; D320-R323 PolarHBondContact OD1-NH1 2.9Å; L321-R323 PolarHBondContact O-N 2.92Å
324S93.9Very high91.5Very high23 Ų2355.7 Ų55.716%0.16127%0.267CS..SBendtrans-57.5149.1178.6700000111.1D320 L321 C326 L327 C328D320-S324 PolarHBondContact O-N 2.62Å; L321-S324 WeakPolarHBondContact O-CB 3.37Å; L321-S324 PolarHBondContact O-N 2.91Å; L321-S324 PolarHBondContact O-OG 2.77Å; S324-C326 PolarHBondContact O-N 2.76Å; S324-C326 VanDerWaalsContact O-N 3.13Å; S324-L327 PolarHBondContact O-N 2.97Å; S324-L327 PolarHBondContact OG-N 3.33Å; S324-C328 WeakPolarHBondContact O-CB 3.11Å; S324-C328 PolarHBondContact O-N 3.28Å
325R89.8Confident90.9Very high205 Ų20552.7 Ų52.777%0.77426%0.257SS*.THydrogen-bonded Turntrans-55.9-32.6178.5-173.3-179.468.5148.8-1.1112.4L327R325-L327 VanDerWaalsContact C-N 3.33Å
326C88.2Confident90.1Very high11 Ų1153.4 Ų53.47%0.07426%0.263CS..THydrogen-bonded Turntrans-65.7-34178.3-178.40000112.5D299 L303 S324 Y330D299-C326 HydrophobicContact CB-CB 4.03Å; D299-C326 PolarHBondContact OD2-SG 3.23Å; D299-C326 VanDerWaalsContact OD2-SG 3.33Å; L303-C326 HydrophobicContact CD1-CB 3.83Å; L303-C326 HydrophobicContact CG-CB 4.29Å; S324-C326 PolarHBondContact O-N 2.76Å; S324-C326 VanDerWaalsContact O-N 3.13Å; C326-Y330 WeakPolarHBondContact O-CD2 3.35Å
327L92.1Very high89.5Confident0 Ų055.3 Ų55.30%027%0.267CS..THydrogen-bonded Turntrans-112.4-26.8-170.9-58.9-177.4000114.5R180 L183 I184 L187 L303 S324 R325 S329 Y330 A331R180-L327 HydrophobicContact CB-CD2 4.22Å; R180-L327 HydrophobicContact CG-CD2 4.04Å; L183-L327 HydrophobicContact CD2-CD1 3.76Å; L183-L327 HydrophobicContact CD2-CD2 4.07Å; L183-L327 HydrophobicContact CD2-CG 4.5Å; L183-L327 HydrophobicContact CG-CD1 4.11Å; I184-L327 HydrophobicContact CD1-CD2 4.48Å; I184-L327 HydrophobicContact CG1-CB 4.42Å; I184-L327 HydrophobicContact CG1-CD2 4.3Å; L187-L327 HydrophobicContact CD1-CD1 3.61Å; L303-L327 HydrophobicContact CD1-CD1 4.03Å; L303-L327 HydrophobicContact CD1-CD2 4.36Å; L303-L327 HydrophobicContact CD1-CG 3.98Å; S324-L327 PolarHBondContact O-N 2.97Å; S324-L327 PolarHBondContact OG-N 3.33Å; R325-L327 VanDerWaalsContact C-N 3.33Å; L327-S329 VanDerWaalsContact C-N 3.33Å; L327-S329 PolarHBondContact O-N 2.96Å; L327-S329 VanDerWaalsContact O-N 3.13Å; L327-Y330 CarbonylContact O-C 3.55Å; L327-Y330 PolarHBondContact O-N 2.89Å; L327-A331 VanDerWaalsContact O-CB 3.3Å; L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 2.96Å
328C85.9Confident88.8Confident60 Ų6053.6 Ų53.641%0.40525%0.254SS..Hα-helixtrans-56.8-39.5-164.966.50000114.8S324 Y332S324-C328 WeakPolarHBondContact O-CB 3.11Å; S324-C328 PolarHBondContact O-N 3.28Å; C328-Y332 PolarHBondContact O-N 2.8Å
329S80Confident87.9Confident68 Ų6856.4 Ų56.448%0.47627%0.274SS..Hα-helixtrans-72.1-39.617855.70000112.5L327L327-S329 VanDerWaalsContact C-N 3.33Å; L327-S329 PolarHBondContact O-N 2.96Å; L327-S329 VanDerWaalsContact O-N 3.13Å
330Y84.3Confident87Confident83 Ų8357.8 Ų57.833%0.32528%0.277SS..Hα-helixtrans-71.1-38.7176.4-63.7-82.6000111.4Q177 I184 C326 L327 Y332 I333 R334Q177-Y330 HydrophobicContact CG-CE1 4.42Å; I184-Y330 VanDerWaalsContact CD1-CB 3.49Å; C326-Y330 WeakPolarHBondContact O-CD2 3.35Å; L327-Y330 CarbonylContact O-C 3.55Å; L327-Y330 PolarHBondContact O-N 2.89Å; Y330-Y332 PolarHBondContact O-N 2.85Å; Y330-I333 PolarHBondContact O-N 2.8Å; Y330-R334 VanDerWaalsContact O-CB 3.27Å; Y330-R334 WeakPolarHBondContact O-CB 3.08Å; Y330-R334 PolarHBondContact O-N 2.83Å
331A84.6Confident86Confident9 Ų954.9 Ų54.97%0.07426%0.26CS..Hα-helixtrans-60.6-47.6-179.200000110.8I184 L322 L327 I333 R334 T335I184-A331 HydrophobicContact CD1-CB 4.22Å; I184-A331 HydrophobicContact CG1-CB 4.22Å; I184-A331 HydrophobicContact CG2-CB 4.24Å; L322-A331 HydrophobicContact CD2-CB 4.48Å; L327-A331 VanDerWaalsContact O-CB 3.3Å; L327-A331 WeakPolarHBondContact O-CB 3.47Å; L327-A331 PolarHBondContact O-N 2.96Å; A331-I333 PolarHBondContact O-N 3.38Å; A331-R334 PolarHBondContact O-N 3.39Å; A331-T335 PolarHBondContact O-N 3.33Å; A331-T335 PolarHBondContact O-OG1 3.41Å
332Y80.2Confident84.7Confident124 Ų12457.2 Ų57.249%0.48627%0.272SS..Hα-helixtrans-56.9-50.7176.1-176.5-107.3000112C328 Y330 R334 T335 L336 W372 V376C328-Y332 PolarHBondContact O-N 2.8Å; Y330-Y332 PolarHBondContact O-N 2.85Å; Y332-R334 VanDerWaalsContact C-N 3.31Å; Y332-R334 PolarHBondContact O-N 2.91Å; Y332-T335 PolarHBondContact O-N 3.11Å; Y332-L336 HydrophobicContact CD1-CD1 3.8Å; Y332-L336 HydrophobicContact CE1-CD1 3.52Å; Y332-L336 HydrophobicContact CE2-CD1 4.4Å; Y332-L336 HydrophobicContact CG-CD1 4.38Å; Y332-L336 WeakPolarHBondContact O-CD1 3.15Å; Y332-L336 WeakPolarHBondContact O-CG 3.45Å; Y332-L336 PolarHBondContact O-N 2.77Å; Y332-W372 HydrophobicContact CE1-CH2 4.3Å; Y332-W372 WeakPolarHBondContact OH-CH2 3.29Å; Y332-W372 VanDerWaalsContact OH-CZ2 3.26Å; Y332-W372 WeakPolarHBondContact OH-CZ2 3.23Å; Y332-V376 HydrophobicContact CE1-CG1 4.12Å
333I81.7Confident83.2Confident58 Ų5859.8 Ų59.830%0.29729%0.289SS..Hα-helixtrans-62-41.3179-66.2173.6000111.1Y330 A331 L336 Y337 F373 C377Y330-I333 PolarHBondContact O-N 2.8Å; A331-I333 PolarHBondContact O-N 3.38Å; I333-L336 PolarHBondContact O-N 3.16Å; I333-Y337 PolarHBondContact O-N 3.32Å; I333-F373 HydrophobicContact CG2-CE2 4.02Å; I333-F373 HydrophobicContact CG2-CZ 4.28Å; I333-C377 HydrophobicContact CD1-CB 4.43Å; I333-C377 HydrophobicContact CG2-CB 4.38Å
334R88.7Confident81.8Confident24 Ų2453.8 Ų53.89%0.09127%0.271CS..Hα-helixtrans-66.4-44.9-178.8-176.752.6174.5-166.2-5.4112.1T181 I184 D185 G214 Y330 A331 Y332 L336 Y337 V338T181-R334 HydrophobicContact CG2-CG 4.41Å; I184-R334 HydrophobicContact CB-CG 4.41Å; I184-R334 HydrophobicContact CG2-CB 3.9Å; I184-R334 HydrophobicContact CG2-CG 3.76Å; D185-R334 WeakPolarHBondContact OD1-CG 3.44Å; D185-R334 IonicContact OD1-CZ 3.01Å; D185-R334 IonicContact OD1-NE 3.58Å; D185-R334 PolarHBondContact OD1-NE 2.85Å; D185-R334 IonicContact OD1-NH2 3.93Å; D185-R334 IonicContact OD2-CZ 3.68Å; D185-R334 IonicContact OD2-NE 2.82Å; D185-R334 PolarHBondContact OD2-NE 3.4Å; D185-R334 IonicContact OD2-NH2 2.85Å; D185-R334 PolarHBondContact OD2-NH2 2.55Å; G214-R334 PolarHBondContact O-NH2 2.74Å; Y330-R334 VanDerWaalsContact O-CB 3.27Å; Y330-R334 WeakPolarHBondContact O-CB 3.08Å; Y330-R334 PolarHBondContact O-N 2.83Å; A331-R334 PolarHBondContact O-N 3.39Å; Y332-R334 VanDerWaalsContact C-N 3.31Å; Y332-R334 PolarHBondContact O-N 2.91Å; R334-L336 PolarHBondContact O-N 2.82Å; R334-Y337 VanDerWaalsContact NH1-CE1 3.3Å; R334-Y337 WeakPolarHBondContact O-CB 3.47Å; R334-Y337 PolarHBondContact O-N 2.8Å; R334-Y337 VanDerWaalsContact O-N 3.13Å; R334-V338 HydrophobicContact CG-CG2 4.48Å; R334-V338 WeakPolarHBondContact O-CG2 3.4Å; R334-V338 PolarHBondContact O-N 3.32Å
335T85.3Confident80.3Confident57 Ų5759.6 Ų59.635%0.3529%0.29SS..Hα-helixtrans-56.6-38.9175.3-53.70000111.4H188 A331 Y332 S339H188-T335 PolarHBondContact NE2-OG1 3.26Å; A331-T335 PolarHBondContact O-N 3.33Å; A331-T335 PolarHBondContact O-OG1 3.41Å; Y332-T335 PolarHBondContact O-N 3.11Å; T335-S339 WeakPolarHBondContact O-CB 3.24Å; T335-S339 PolarHBondContact O-N 2.88Å; T335-S339 PolarHBondContact O-OG 3.25Å
336L81.8Confident78.5Confident36 Ų3657.8 Ų57.819%0.18829%0.288CS..Hα-helixtrans-69.7-41177.9-60.6163.9000112.3Y332 I333 R334 S339 Y340 W372 F373Y332-L336 HydrophobicContact CD1-CD1 3.8Å; Y332-L336 HydrophobicContact CE1-CD1 3.52Å; Y332-L336 HydrophobicContact CE2-CD1 4.4Å; Y332-L336 HydrophobicContact CG-CD1 4.38Å; Y332-L336 WeakPolarHBondContact O-CD1 3.15Å; Y332-L336 WeakPolarHBondContact O-CG 3.45Å; Y332-L336 PolarHBondContact O-N 2.77Å; I333-L336 PolarHBondContact O-N 3.16Å; R334-L336 PolarHBondContact O-N 2.82Å; L336-S339 PolarHBondContact O-N 2.76Å; L336-Y340 WeakPolarHBondContact O-CB 3.22Å; L336-Y340 PolarHBondContact O-N 2.81Å; L336-W372 HydrophobicContact CB-CZ3 4.13Å; L336-W372 HydrophobicContact CD1-CH2 3.18Å; L336-W372 HydrophobicContact CD1-CZ2 4.36Å; L336-W372 HydrophobicContact CD1-CZ3 3.27Å; L336-W372 HydrophobicContact CD2-CH2 3.37Å; L336-W372 HydrophobicContact CD2-CZ3 3.39Å; L336-W372 HydrophobicContact CG-CH2 3.77Å; L336-W372 HydrophobicContact CG-CZ3 3.68Å; L336-F373 HydrophobicContact CB-CD2 4.37Å
337Y84.2Confident76.2Confident64 Ų6460.2 Ų60.225%0.25131%0.305SS..Hα-helixtrans-60.6-47.4174.7170.9-93.9000111.6E213 I215 I333 R334 Y340 R341E213-Y337 PolarHBondContact O-OH 2.95Å; I215-Y337 HydrophobicContact CD1-CE1 4.33Å; I215-Y337 HydrophobicContact CG1-CE1 4.23Å; I333-Y337 PolarHBondContact O-N 3.32Å; R334-Y337 VanDerWaalsContact NH1-CE1 3.3Å; R334-Y337 WeakPolarHBondContact O-CB 3.47Å; R334-Y337 PolarHBondContact O-N 2.8Å; R334-Y337 VanDerWaalsContact O-N 3.13Å; Y337-Y340 PolarHBondContact O-N 3.22Å; Y337-R341 PolarHBondContact O-N 3.13Å
338V84.2Confident73.9Confident8 Ų862.5 Ų62.55%0.04832%0.32CS..Hα-helixtrans-62.2-46.3178.51740000110.6P138 I215 R334 Y340 R341 D342P138-V338 HydrophobicContact CB-CG1 3.37Å; P138-V338 HydrophobicContact CG-CG1 3.67Å; I215-V338 HydrophobicContact CD1-CG2 4.31Å; I215-V338 HydrophobicContact CG1-CG2 4.43Å; R334-V338 HydrophobicContact CG-CG2 4.48Å; R334-V338 WeakPolarHBondContact O-CG2 3.4Å; R334-V338 PolarHBondContact O-N 3.32Å; V338-Y340 PolarHBondContact O-N 3.47Å; V338-R341 PolarHBondContact O-N 2.86Å; V338-D342 PolarHBondContact O-N 2.87Å; V338-D342 VanDerWaalsContact O-N 3.12Å
339S79.8Confident71.7Confident62 Ų6269 Ų6943%0.43434%0.343SS..Hα-helixtrans-61.5-42.6177-570000112.3T335 L336 D342 T343T335-S339 WeakPolarHBondContact O-CB 3.24Å; T335-S339 PolarHBondContact O-N 2.88Å; T335-S339 PolarHBondContact O-OG 3.25Å; L336-S339 PolarHBondContact O-N 2.76Å; S339-D342 PolarHBondContact O-N 3.14Å; S339-T343 WeakPolarHBondContact O-CG2 3.36Å; S339-T343 PolarHBondContact O-N 2.72Å
340Y77.1Confident69.8Low51 Ų5172 Ų7220%0.236%0.359CS..Hα-helixtrans-60.5-47176.8169.1-99.3000111.3L336 Y337 V338 D342 T343 V344 L366 V370L336-Y340 WeakPolarHBondContact O-CB 3.22Å; L336-Y340 PolarHBondContact O-N 2.81Å; Y337-Y340 PolarHBondContact O-N 3.22Å; V338-Y340 PolarHBondContact O-N 3.47Å; Y340-D342 VanDerWaalsContact C-N 3.35Å; Y340-D342 PolarHBondContact O-N 3.41Å; Y340-T343 PolarHBondContact O-N 3.22Å; Y340-T343 VanDerWaalsContact O-N 3.16Å; Y340-T343 PolarHBondContact O-OG1 3.33Å; Y340-V344 HydrophobicContact CD1-CG2 4.26Å; Y340-V344 HydrophobicContact CD2-CG2 4.45Å; Y340-V344 HydrophobicContact CE1-CG2 3.74Å; Y340-V344 HydrophobicContact CE2-CG2 3.98Å; Y340-V344 WeakPolarHBondContact O-CG2 3.19Å; Y340-V344 PolarHBondContact O-N 2.84Å; Y340-V344 VanDerWaalsContact O-N 3.07Å; Y340-L366 HydrophobicContact CD2-CD1 4.02Å; Y340-L366 HydrophobicContact CE2-CD1 3.19Å; Y340-L366 HydrophobicContact CE2-CG 4.07Å; Y340-V370 HydrophobicContact CD2-CG2 4.44Å; Y340-V370 HydrophobicContact CE2-CG2 3.36Å; Y340-V370 WeakPolarHBondContact OH-CG2 3.32Å
341R75.6Confident67.8Low17 Ų1771.8 Ų71.86%0.06436%0.363CS..Hα-helixtrans-58.1-47.8178175.9-161.1171.1-136.918.9111.6E213 I215 Y337 V338 T343 V344 R345E213-R341 IonicContact OE1-NE 2.77Å; E213-R341 IonicContact OE1-NH2 3.76Å; E213-R341 IonicContact OE2-CZ 3.52Å; E213-R341 IonicContact OE2-NE 2.77Å; E213-R341 IonicContact OE2-NH2 3.47Å; E213-R341 PolarHBondContact OE2-NH2 3.44Å; I215-R341 HydrophobicContact CD1-CG 4.49Å; I215-R341 VanDerWaalsContact CD1-NH1 3.31Å; Y337-R341 PolarHBondContact O-N 3.13Å; V338-R341 PolarHBondContact O-N 2.86Å; R341-T343 PolarHBondContact O-N 2.88Å; R341-V344 WeakPolarHBondContact O-CA 3.19Å; R341-V344 PolarHBondContact O-N 3.4Å; R341-R345 VanDerWaalsContact NH2-CZ 3.32Å; R341-R345 PolarHBondContact O-N 2.88Å
342D71.3Confident65.7Low52 Ų5275.9 Ų75.928%0.27839%0.389SS..Hα-helixtrans-57-40.2-178.6-72.2-13.9000109.6V338 S339 Y340 V344 R345 F346V338-D342 PolarHBondContact O-N 2.87Å; V338-D342 VanDerWaalsContact O-N 3.12Å; S339-D342 PolarHBondContact O-N 3.14Å; Y340-D342 VanDerWaalsContact C-N 3.35Å; Y340-D342 PolarHBondContact O-N 3.41Å; D342-V344 PolarHBondContact O-N 2.82Å; D342-R345 PolarHBondContact O-N 3.22Å; D342-F346 WeakPolarHBondContact O-CD2 3.26Å; D342-F346 PolarHBondContact O-N 3.41Å
343T65.1Low64.2Low73 Ų7374.6 Ų74.645%0.44840%0.404SS..Hα-helixtrans-65.6-32.317466.70000114.5S339 Y340 R341S339-T343 WeakPolarHBondContact O-CG2 3.36Å; S339-T343 PolarHBondContact O-N 2.72Å; Y340-T343 PolarHBondContact O-N 3.22Å; Y340-T343 VanDerWaalsContact O-N 3.16Å; Y340-T343 PolarHBondContact O-OG1 3.33Å; R341-T343 PolarHBondContact O-N 2.88Å
344V63.8Low62.9Low45 Ų4577.4 Ų77.427%0.27342%0.419SS..Hα-helixtrans-74-41.1178.2176.40000111.9Y340 R341 D342 F346 S347 L366Y340-V344 HydrophobicContact CD1-CG2 4.26Å; Y340-V344 HydrophobicContact CD2-CG2 4.45Å; Y340-V344 HydrophobicContact CE1-CG2 3.74Å; Y340-V344 HydrophobicContact CE2-CG2 3.98Å; Y340-V344 WeakPolarHBondContact O-CG2 3.19Å; Y340-V344 PolarHBondContact O-N 2.84Å; Y340-V344 VanDerWaalsContact O-N 3.07Å; R341-V344 WeakPolarHBondContact O-CA 3.19Å; R341-V344 PolarHBondContact O-N 3.4Å; D342-V344 PolarHBondContact O-N 2.82Å; V344-F346 PolarHBondContact O-N 2.92Å; V344-S347 VanDerWaalsContact O-CB 3.31Å; V344-S347 WeakPolarHBondContact O-CB 3.2Å; V344-S347 PolarHBondContact O-N 2.82Å; V344-L366 HydrophobicContact CG2-CD1 3.3Å
345R63.2Low61.1Low144 Ų14477 Ų7754%0.54342%0.422SS..Hα-helixtrans-62.6-28.1178.1-95-168.2176.1-159.30112.4E213 R341 D342 S347E213-R345 IonicContact OE1-CZ 2.72Å; E213-R345 IonicContact OE1-NE 3.51Å; E213-R345 PolarHBondContact OE1-NE 3.42Å; E213-R345 IonicContact OE1-NH2 3.33Å; E213-R345 PolarHBondContact OE1-NH2 3.16Å; E213-R345 IonicContact OE2-NH2 2.72Å; R341-R345 VanDerWaalsContact NH2-CZ 3.32Å; R341-R345 PolarHBondContact O-N 2.88Å; D342-R345 PolarHBondContact O-N 3.22Å; R345-S347 PolarHBondContact O-N 2.62Å
346F50.8Low59.5Low168 Ų16879.2 Ų79.274%0.73744%0.435SS*.THydrogen-bonded Turntrans-7911.1174.5-71.8-67.3000114.4D342 V344D342-F346 WeakPolarHBondContact O-CD2 3.26Å; D342-F346 PolarHBondContact O-N 3.41Å; V344-F346 PolarHBondContact O-N 2.92Å
347S41Very low58.2Low61 Ų6183.8 Ų83.843%0.42746%0.458SS..SBendtrans-85.6147.4171.7-124.60000112.5V344 R345V344-S347 VanDerWaalsContact O-CB 3.31Å; V344-S347 WeakPolarHBondContact O-CB 3.2Å; V344-S347 PolarHBondContact O-N 2.82Å; R345-S347 PolarHBondContact O-N 2.62Å
348P42.6Very low56.7Low49 Ų4984.7 Ų84.732%0.31847%0.467SS..SBend-108.6106.4-119.337.1-29.9000113.1L351 F359P348-L351 HydrophobicContact CB-CB 4.01Å; P348-L351 HydrophobicContact CB-CD1 3.76Å; P348-L351 HydrophobicContact CB-CG 3.82Å; P348-F359 HydrophobicContact CG-CD2 3.74Å; P348-F359 HydrophobicContact CG-CE2 3.92Å
349H39.7Very low55.3Low195 Ų19588.3 Ų88.390%0.90348%0.482SS*.SBendtrans-99.57.3149-79.3-63.7000112.7
350V41.9Very low54.4Low132 Ų13290.5 Ų90.580%0.849%0.486SS*.SBendtrans-13942.6179.6-159.60000112.5
351L42.1Very low53.8Low79 Ų7991.2 Ų91.241%0.41450%0.495SS..  trans-115.5121.8165.1-67.8179000109.4P348 A355 Y362P348-L351 HydrophobicContact CB-CB 4.01Å; P348-L351 HydrophobicContact CB-CD1 3.76Å; P348-L351 HydrophobicContact CB-CG 3.82Å; L351-A355 HydrophobicContact CB-CB 3.98Å; L351-A355 HydrophobicContact CD1-CB 4.35Å; L351-Y362 HydrophobicContact CD1-CE2 4.47Å
352P39.5Very low52.8Low94 Ų9495.5 Ų95.561%0.6151%0.512SS*.  trans-59.3151.5175.421.8-29.2000111D354 A355P352-D354 PolarHBondContact O-N 3.42Å; P352-A355 WeakPolarHBondContact O-CB 3.18Å; P352-A355 PolarHBondContact O-N 3.43Å; P352-A355 VanDerWaalsContact O-N 3.1Å
353A50Low52.2Low97 Ų9797.5 Ų97.580%0.80252%0.519SS*.G310 helixtrans-54.8-13.5-164.900000115.8A355A353-A355 PolarHBondContact O-N 3.12Å
354D53Low52.2Low117 Ų11797.6 Ų97.663%0.62652%0.519SS*.G310 helixtrans-72.4-8.2177.9-36.644000113P352P352-D354 PolarHBondContact O-N 3.42Å
355A51.6Low52.1Low17 Ų17101.6 Ų101.614%0.1453%0.533CS..G310 helixtrans-99.322.7-168.300000115.9L351 P352 A353 I357 N358 F359L351-A355 HydrophobicContact CB-CB 3.98Å; L351-A355 HydrophobicContact CD1-CB 4.35Å; P352-A355 WeakPolarHBondContact O-CB 3.18Å; P352-A355 PolarHBondContact O-N 3.43Å; P352-A355 VanDerWaalsContact O-N 3.1Å; A353-A355 PolarHBondContact O-N 3.12Å; A355-I357 VanDerWaalsContact C-N 3.27Å; A355-I357 PolarHBondContact O-N 2.91Å; A355-N358 HydrophobicContact CB-CB 4.23Å; A355-N358 PolarHBondContact O-N 3.24Å; A355-N358 VanDerWaalsContact O-N 3.1Å; A355-F359 PolarHBondContact O-N 2.95Å
356T51.3Low52.2Low102 Ų10296.9 Ų96.963%0.62652%0.518SS*.Hα-helixtrans-58.8-35.8178.239.10000113.2F359 Q360T356-F359 PolarHBondContact O-N 3.29Å; T356-Q360 PolarHBondContact O-N 2.75Å
357I53.7Low53.1Low132 Ų13295.8 Ų95.868%0.67751%0.509SS*.Hα-helixtrans-66-43.8174.4-63.3174000110.7A355 F359 Q360 V361A355-I357 VanDerWaalsContact C-N 3.27Å; A355-I357 PolarHBondContact O-N 2.91Å; I357-F359 VanDerWaalsContact C-N 3.35Å; I357-F359 PolarHBondContact O-N 3.16Å; I357-Q360 PolarHBondContact O-N 3.47Å; I357-V361 WeakPolarHBondContact O-CG2 3.08Å; I357-V361 PolarHBondContact O-N 3.28Å; I357-V361 VanDerWaalsContact O-N 3.08Å
358N54Low54.5Low84 Ų8497.9 Ų97.945%0.44951%0.514SS..Hα-helixtrans-63.6-41.7177.6-76.9-27.4000111.1A355 Q360 V361 Y362A355-N358 HydrophobicContact CB-CB 4.23Å; A355-N358 PolarHBondContact O-N 3.24Å; A355-N358 VanDerWaalsContact O-N 3.1Å; N358-Q360 PolarHBondContact O-N 2.81Å; N358-V361 PolarHBondContact O-N 3.07Å; N358-Y362 HydrophobicContact CB-CD2 4.23Å; N358-Y362 HydrophobicContact CB-CE2 3.99Å; N358-Y362 WeakPolarHBondContact O-CD2 3.08Å; N358-Y362 PolarHBondContact O-N 2.89Å
359F54.1Low55.5Low83 Ų8398 Ų9836%0.36451%0.514SS..Hα-helixtrans-58.8-44.3177.3-177-107.9000112.9P348 A355 T356 I357 Y362 K363P348-F359 HydrophobicContact CG-CD2 3.74Å; P348-F359 HydrophobicContact CG-CE2 3.92Å; A355-F359 PolarHBondContact O-N 2.95Å; T356-F359 PolarHBondContact O-N 3.29Å; I357-F359 VanDerWaalsContact C-N 3.35Å; I357-F359 PolarHBondContact O-N 3.16Å; F359-Y362 PolarHBondContact O-N 2.88Å; F359-K363 HydrophobicContact CE1-CD 4.46Å; F359-K363 WeakPolarHBondContact O-CB 3.34Å; F359-K363 PolarHBondContact O-N 3.1Å
360Q60.9Low56.9Low108 Ų10889.4 Ų89.451%0.50548%0.476SS..Hα-helixtrans-66.8-39.1176.9-66.1-64.2-4.800112.1T356 I357 N358 K363 T364T356-Q360 PolarHBondContact O-N 2.75Å; I357-Q360 PolarHBondContact O-N 3.47Å; N358-Q360 PolarHBondContact O-N 2.81Å; Q360-K363 PolarHBondContact O-N 3.36Å; Q360-T364 WeakPolarHBondContact O-CB 3.24Å; Q360-T364 PolarHBondContact O-N 2.91Å; Q360-T364 PolarHBondContact O-OG1 2.66Å
361V63.8Low58.4Low66 Ų6688.6 Ų88.640%0.447%0.466SS..Hα-helixtrans-63.2-43.4174.3172.60000111I357 N358 T364 K365I357-V361 WeakPolarHBondContact O-CG2 3.08Å; I357-V361 PolarHBondContact O-N 3.28Å; I357-V361 VanDerWaalsContact O-N 3.08Å; N358-V361 PolarHBondContact O-N 3.07Å; V361-T364 PolarHBondContact O-N 3.48Å; V361-K365 HydrophobicContact CG1-CD 4.31Å; V361-K365 WeakPolarHBondContact O-CB 3.19Å; V361-K365 WeakPolarHBondContact O-CG 3.47Å; V361-K365 PolarHBondContact O-N 2.89Å
362Y54.9Low59.9Low108 Ų10889.4 Ų89.442%0.42446%0.464SS..Hα-helixtrans-63-46.8175.6-76.9-63.3000111.8L351 N358 F359 T364 K365 L366L351-Y362 HydrophobicContact CD1-CE2 4.47Å; N358-Y362 HydrophobicContact CB-CD2 4.23Å; N358-Y362 HydrophobicContact CB-CE2 3.99Å; N358-Y362 WeakPolarHBondContact O-CD2 3.08Å; N358-Y362 PolarHBondContact O-N 2.89Å; F359-Y362 PolarHBondContact O-N 2.88Å; Y362-T364 VanDerWaalsContact C-N 3.28Å; Y362-T364 PolarHBondContact O-N 2.85Å; Y362-K365 PolarHBondContact O-N 3.24Å; Y362-L366 VanDerWaalsContact O-CB 3.27Å; Y362-L366 WeakPolarHBondContact O-CB 3.16Å; Y362-L366 PolarHBondContact O-N 3.16Å
363K59Low61.4Low94 Ų9486.8 Ų86.841%0.40944%0.443SS..Hα-helixtrans-60.4-39.7176.5-166.4176.4-178.4179.60111.3F359 Q360 L366 W367F359-K363 HydrophobicContact CE1-CD 4.46Å; F359-K363 WeakPolarHBondContact O-CB 3.34Å; F359-K363 PolarHBondContact O-N 3.1Å; Q360-K363 PolarHBondContact O-N 3.36Å; K363-L366 WeakPolarHBondContact O-CB 3.45Å; K363-L366 PolarHBondContact O-N 2.77Å; K363-W367 PolarHBondContact O-N 2.94Å
364T66.4Low62.6Low75 Ų7586.2 Ų86.246%0.4643%0.426SS..Hα-helixtrans-68.4-45.7177.1-51.70000111.5Q360 V361 Y362 L366 W367 I368Q360-T364 WeakPolarHBondContact O-CB 3.24Å; Q360-T364 PolarHBondContact O-N 2.91Å; Q360-T364 PolarHBondContact O-OG1 2.66Å; V361-T364 PolarHBondContact O-N 3.48Å; Y362-T364 VanDerWaalsContact C-N 3.28Å; Y362-T364 PolarHBondContact O-N 2.85Å; T364-L366 PolarHBondContact O-N 2.88Å; T364-W367 PolarHBondContact O-N 2.69Å; T364-I368 HydrophobicContact CG2-CD1 3.89Å; T364-I368 HydrophobicContact CG2-CG1 4.46Å; T364-I368 WeakPolarHBondContact O-CB 3.48Å; T364-I368 VanDerWaalsContact O-CG1 3.24Å; T364-I368 WeakPolarHBondContact O-CG1 3.36Å; T364-I368 PolarHBondContact O-N 3.38Å
365K61.7Low63.5Low129 Ų12983.1 Ų83.156%0.56141%0.412SS*.Hα-helixtrans-58.5-38.7172.5-76.3-179.3177.7-178.20111.5V361 Y362 T369V361-K365 HydrophobicContact CG1-CD 4.31Å; V361-K365 WeakPolarHBondContact O-CB 3.19Å; V361-K365 WeakPolarHBondContact O-CG 3.47Å; V361-K365 PolarHBondContact O-N 2.89Å; Y362-K365 PolarHBondContact O-N 3.24Å; K365-T369 WeakPolarHBondContact O-CB 3.32Å; K365-T369 VanDerWaalsContact O-CG2 3.31Å; K365-T369 WeakPolarHBondContact O-CG2 3.29Å; K365-T369 PolarHBondContact O-N 2.62Å; K365-T369 PolarHBondContact O-OG1 3.02Å
366L63.5Low64.2Low44 Ų4484 Ų8423%0.2342%0.415CS..Hα-helixtrans-63.8-49.9175.3-17274.4000111.4Y340 V344 Y362 K363 T364 I368 T369 V370Y340-L366 HydrophobicContact CD2-CD1 4.02Å; Y340-L366 HydrophobicContact CE2-CD1 3.19Å; Y340-L366 HydrophobicContact CE2-CG 4.07Å; V344-L366 HydrophobicContact CG2-CD1 3.3Å; Y362-L366 VanDerWaalsContact O-CB 3.27Å; Y362-L366 WeakPolarHBondContact O-CB 3.16Å; Y362-L366 PolarHBondContact O-N 3.16Å; K363-L366 WeakPolarHBondContact O-CB 3.45Å; K363-L366 PolarHBondContact O-N 2.77Å; T364-L366 PolarHBondContact O-N 2.88Å; L366-I368 VanDerWaalsContact C-N 3.34Å; L366-I368 PolarHBondContact O-N 3.48Å; L366-T369 WeakPolarHBondContact CA-OG1 3.39Å; L366-T369 PolarHBondContact O-N 3.1Å; L366-T369 PolarHBondContact O-OG1 3.42Å; L366-V370 WeakPolarHBondContact O-CB 3.43Å; L366-V370 VanDerWaalsContact O-CG2 3.29Å; L366-V370 WeakPolarHBondContact O-CG2 3.03Å; L366-V370 PolarHBondContact O-N 3.01Å
367W70.8Confident64.6Low146 Ų14680.1 Ų80.155%0.55339%0.392SS*.Hα-helixtrans-62.8-40.4177.2-80.7111.2000112.6K363 T364 V370 L371 F425K363-W367 PolarHBondContact O-N 2.94Å; T364-W367 PolarHBondContact O-N 2.69Å; W367-V370 PolarHBondContact O-N 2.84Å; W367-L371 WeakPolarHBondContact O-CB 3.46Å; W367-L371 PolarHBondContact O-N 2.93Å; W367-F425 HydrophobicContact CH2-CE1 4.49Å
368I71.2Confident65Low104 Ų10478.9 Ų78.953%0.53338%0.379SS..Hα-helixtrans-63.1-45.1176.1-68.8167.9000110.1T364 L366 W372T364-I368 HydrophobicContact CG2-CD1 3.89Å; T364-I368 HydrophobicContact CG2-CG1 4.46Å; T364-I368 WeakPolarHBondContact O-CB 3.48Å; T364-I368 VanDerWaalsContact O-CG1 3.24Å; T364-I368 WeakPolarHBondContact O-CG1 3.36Å; T364-I368 PolarHBondContact O-N 3.38Å; L366-I368 VanDerWaalsContact C-N 3.34Å; L366-I368 PolarHBondContact O-N 3.48Å; I368-W372 WeakPolarHBondContact O-CB 3.4Å; I368-W372 PolarHBondContact O-N 2.91Å
369T62.1Low65.9Low51 Ų5178.8 Ų78.831%0.31338%0.378SS..Hα-helixtrans-68.2-39.617847.20000112.5K365 L366 F373K365-T369 WeakPolarHBondContact O-CB 3.32Å; K365-T369 VanDerWaalsContact O-CG2 3.31Å; K365-T369 WeakPolarHBondContact O-CG2 3.29Å; K365-T369 PolarHBondContact O-N 2.62Å; K365-T369 PolarHBondContact O-OG1 3.02Å; L366-T369 WeakPolarHBondContact CA-OG1 3.39Å; L366-T369 PolarHBondContact O-N 3.1Å; L366-T369 PolarHBondContact O-OG1 3.42Å; T369-F373 WeakPolarHBondContact O-CB 3.18Å; T369-F373 PolarHBondContact O-N 2.84Å
370V68.9Low66.6Low16 Ų1682.1 Ų82.110%0.09739%0.393CS..Hα-helixtrans-62.8-50.5172.5172.60000111Y340 L366 W367 W372 F373 L374 F425Y340-V370 HydrophobicContact CD2-CG2 4.44Å; Y340-V370 HydrophobicContact CE2-CG2 3.36Å; Y340-V370 WeakPolarHBondContact OH-CG2 3.32Å; L366-V370 WeakPolarHBondContact O-CB 3.43Å; L366-V370 VanDerWaalsContact O-CG2 3.29Å; L366-V370 WeakPolarHBondContact O-CG2 3.03Å; L366-V370 PolarHBondContact O-N 3.01Å; W367-V370 PolarHBondContact O-N 2.84Å; V370-W372 VanDerWaalsContact C-N 3.29Å; V370-W372 PolarHBondContact O-N 2.92Å; V370-F373 PolarHBondContact O-N 2.8Å; V370-L374 HydrophobicContact CG1-CD1 3.81Å; V370-L374 HydrophobicContact CG1-CG 4.2Å; V370-L374 WeakPolarHBondContact O-CB 3.39Å; V370-L374 VanDerWaalsContact O-CG 3.27Å; V370-L374 WeakPolarHBondContact O-CG 3.29Å; V370-L374 PolarHBondContact O-N 2.85Å; V370-F425 HydrophobicContact CG1-CZ 4.45Å
371L74.5Confident66.9Low114 Ų11479.8 Ų79.860%0.59739%0.387SS*.Hα-helixtrans-62.2-41.4-179.2-17667.5000110.6W367 T375W367-L371 WeakPolarHBondContact O-CB 3.46Å; W367-L371 PolarHBondContact O-N 2.93Å; L371-T375 WeakPolarHBondContact O-CB 3.15Å; L371-T375 WeakPolarHBondContact O-CG2 3.06Å; L371-T375 PolarHBondContact O-N 3.02Å; L371-T375 PolarHBondContact O-OG1 2.63Å
372W73.5Confident67.3Low96 Ų9681.1 Ų81.136%0.36439%0.391SS..Hα-helixtrans-67.6-41.4175.6-178.283.6000112Y332 L336 I368 V370 T375 V376Y332-W372 HydrophobicContact CE1-CH2 4.3Å; Y332-W372 WeakPolarHBondContact OH-CH2 3.29Å; Y332-W372 VanDerWaalsContact OH-CZ2 3.26Å; Y332-W372 WeakPolarHBondContact OH-CZ2 3.23Å; L336-W372 HydrophobicContact CB-CZ3 4.13Å; L336-W372 HydrophobicContact CD1-CH2 3.18Å; L336-W372 HydrophobicContact CD1-CZ2 4.36Å; L336-W372 HydrophobicContact CD1-CZ3 3.27Å; L336-W372 HydrophobicContact CD2-CH2 3.37Å; L336-W372 HydrophobicContact CD2-CZ3 3.39Å; L336-W372 HydrophobicContact CG-CH2 3.77Å; L336-W372 HydrophobicContact CG-CZ3 3.68Å; I368-W372 WeakPolarHBondContact O-CB 3.4Å; I368-W372 PolarHBondContact O-N 2.91Å; V370-W372 VanDerWaalsContact C-N 3.29Å; V370-W372 PolarHBondContact O-N 2.92Å; W372-T375 VanDerWaalsContact CA-OG1 3.31Å; W372-T375 WeakPolarHBondContact CA-OG1 3.23Å; W372-T375 PolarHBondContact O-N 3.38Å; W372-T375 PolarHBondContact O-OG1 3.45Å; W372-V376 HydrophobicContact CD2-CG2 4.08Å; W372-V376 HydrophobicContact CG-CG2 4.37Å; W372-V376 HydrophobicContact CZ2-CG2 4.05Å; W372-V376 WeakPolarHBondContact O-CB 3.32Å; W372-V376 VanDerWaalsContact O-CG2 3.28Å; W372-V376 WeakPolarHBondContact O-CG2 3.37Å; W372-V376 PolarHBondContact O-N 3.3Å
373F70.1Confident68.2Low40 Ų4080.7 Ų80.718%0.17540%0.396CS..Hα-helixtrans-63.3-44.3174.8-177.2-94.5000111.5I333 L336 T369 V370 T375 V376 C377 Y378I333-F373 HydrophobicContact CG2-CE2 4.02Å; I333-F373 HydrophobicContact CG2-CZ 4.28Å; L336-F373 HydrophobicContact CB-CD2 4.37Å; T369-F373 WeakPolarHBondContact O-CB 3.18Å; T369-F373 PolarHBondContact O-N 2.84Å; V370-F373 PolarHBondContact O-N 2.8Å; F373-T375 PolarHBondContact O-N 3.25Å; F373-V376 PolarHBondContact O-N 3.05Å; F373-C377 WeakPolarHBondContact CD2-SG 3.3Å; F373-C377 HydrophobicContact CE1-CB 4.34Å; F373-C377 HydrophobicContact CE2-CB 4.48Å; F373-C377 WeakPolarHBondContact CE2-SG 3.36Å; F373-C377 HydrophobicContact CZ-CB 4.31Å; F373-C377 WeakPolarHBondContact O-CA 3.5Å; F373-C377 WeakPolarHBondContact O-CB 3.43Å; F373-C377 PolarHBondContact O-N 3.46Å; F373-C377 PolarHBondContact O-SG 2.84Å; F373-Y378 HydrophobicContact CD1-CE2 4.42Å; F373-Y378 AromaticContact CE1-CE2 3.96Å; F373-Y378 HydrophobicContact CE1-CE2 3.96Å
374L74.8Confident68.8Low84 Ų8481.6 Ų81.644%0.4440%0.401SS..Hα-helixtrans-62.3-42.5175.5-72.2174.4000111.7V370 Y378 L379V370-L374 HydrophobicContact CG1-CD1 3.81Å; V370-L374 HydrophobicContact CG1-CG 4.2Å; V370-L374 WeakPolarHBondContact O-CB 3.39Å; V370-L374 VanDerWaalsContact O-CG 3.27Å; V370-L374 WeakPolarHBondContact O-CG 3.29Å; V370-L374 PolarHBondContact O-N 2.85Å; L374-Y378 HydrophobicContact CD2-CD2 3.98Å; L374-Y378 HydrophobicContact CD2-CE2 4.25Å; L374-Y378 WeakPolarHBondContact O-CA 3.44Å; L374-Y378 VanDerWaalsContact O-CB 3.32Å; L374-Y378 WeakPolarHBondContact O-CB 3.46Å; L374-Y378 PolarHBondContact O-N 3.27Å; L374-L379 PolarHBondContact O-N 3.49Å
375T71.8Confident69.1Low53 Ų5387.2 Ų87.233%0.32541%0.414SS..Iπ-helixtrans-69.4-43.2179.4520000112L371 W372 F373 L379 K380L371-T375 WeakPolarHBondContact O-CB 3.15Å; L371-T375 WeakPolarHBondContact O-CG2 3.06Å; L371-T375 PolarHBondContact O-N 3.02Å; L371-T375 PolarHBondContact O-OG1 2.63Å; W372-T375 VanDerWaalsContact CA-OG1 3.31Å; W372-T375 WeakPolarHBondContact CA-OG1 3.23Å; W372-T375 PolarHBondContact O-N 3.38Å; W372-T375 PolarHBondContact O-OG1 3.45Å; F373-T375 PolarHBondContact O-N 3.25Å; T375-L379 HydrophobicContact CG2-CD2 4.13Å; T375-L379 WeakPolarHBondContact O-CB 3.38Å; T375-L379 PolarHBondContact O-N 3.41Å; T375-K380 WeakPolarHBondContact O-CB 3.17Å; T375-K380 PolarHBondContact O-N 2.8Å
376V66.5Low69.6Low36 Ų3685.8 Ų85.822%0.21841%0.411CS..Iπ-helixtrans-73.6-44.1-179.4172.50000112.4Y332 W372 F373 P381Y332-V376 HydrophobicContact CE1-CG1 4.12Å; W372-V376 HydrophobicContact CD2-CG2 4.08Å; W372-V376 HydrophobicContact CG-CG2 4.37Å; W372-V376 HydrophobicContact CZ2-CG2 4.05Å; W372-V376 WeakPolarHBondContact O-CB 3.32Å; W372-V376 VanDerWaalsContact O-CG2 3.28Å; W372-V376 WeakPolarHBondContact O-CG2 3.37Å; W372-V376 PolarHBondContact O-N 3.3Å; F373-V376 PolarHBondContact O-N 3.05Å; V376-P381 WeakPolarHBondContact O-CD 3.41Å
377C61.2Low70Confident19 Ų1988.5 Ų88.513%0.12843%0.426CS..Iπ-helixtrans-89.8-28.5-171-52.80000113.1I333 F373 P381I333-C377 HydrophobicContact CD1-CB 4.43Å; I333-C377 HydrophobicContact CG2-CB 4.38Å; F373-C377 WeakPolarHBondContact CD2-SG 3.3Å; F373-C377 HydrophobicContact CE1-CB 4.34Å; F373-C377 HydrophobicContact CE2-CB 4.48Å; F373-C377 WeakPolarHBondContact CE2-SG 3.36Å; F373-C377 HydrophobicContact CZ-CB 4.31Å; F373-C377 WeakPolarHBondContact O-CA 3.5Å; F373-C377 WeakPolarHBondContact O-CB 3.43Å; F373-C377 PolarHBondContact O-N 3.46Å; F373-C377 PolarHBondContact O-SG 2.84Å; C377-P381 WeakPolarHBondContact O-CG 3.29Å
378Y62Low69.9Low106 Ų10688.9 Ų88.942%0.41643%0.427SS..Iπ-helixtrans-114-52-177.1-64.7-93.9000112.3F373 L374 L382F373-Y378 HydrophobicContact CD1-CE2 4.42Å; F373-Y378 AromaticContact CE1-CE2 3.96Å; F373-Y378 HydrophobicContact CE1-CE2 3.96Å; L374-Y378 HydrophobicContact CD2-CD2 3.98Å; L374-Y378 HydrophobicContact CD2-CE2 4.25Å; L374-Y378 WeakPolarHBondContact O-CA 3.44Å; L374-Y378 VanDerWaalsContact O-CB 3.32Å; L374-Y378 WeakPolarHBondContact O-CB 3.46Å; L374-Y378 PolarHBondContact O-N 3.27Å; Y378-L382 WeakPolarHBondContact O-CB 3.38Å; Y378-L382 PolarHBondContact O-N 3.36Å; Y378-L382 VanDerWaalsContact O-N 3.11Å
379L73.2Confident69.5Low83 Ų8389.7 Ų89.744%0.43543%0.425SS..Iπ-helixtrans-69.6-45.6-173.1-168.465.5000112.2L374 T375 L382 L383L374-L379 PolarHBondContact O-N 3.49Å; T375-L379 HydrophobicContact CG2-CD2 4.13Å; T375-L379 WeakPolarHBondContact O-CB 3.38Å; T375-L379 PolarHBondContact O-N 3.41Å; L379-L382 PolarHBondContact O-N 3.37Å; L379-L383 HydrophobicContact CD1-CD1 4.45Å; L379-L383 HydrophobicContact CD1-CG 4.43Å; L379-L383 HydrophobicContact CG-CD1 3.93Å; L379-L383 HydrophobicContact CG-CG 4.32Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.26Å; L379-L383 WeakPolarHBondContact O-CG 3.31Å; L379-L383 PolarHBondContact O-N 3.44Å
380K67.9Low69.9Low153 Ų15389.7 Ų89.767%0.66543%0.43SS*.Hα-helixtrans-65.3-45.9-177.2-170.3-179.9-177.5-179.30112.7T375 L383 H384T375-K380 WeakPolarHBondContact O-CB 3.17Å; T375-K380 PolarHBondContact O-N 2.8Å; K380-L383 PolarHBondContact O-N 2.87Å; K380-H384 WeakPolarHBondContact O-CB 3.27Å; K380-H384 PolarHBondContact O-N 3.24Å
381P66.5Low69.8Low59 Ų5991.3 Ų91.338%0.38344%0.442SS..Hα-helixtrans-66.1-35.9173.3-2436.8000113.2V376 C377 H384 R385V376-P381 WeakPolarHBondContact O-CD 3.41Å; C377-P381 WeakPolarHBondContact O-CG 3.29Å; P381-H384 PolarHBondContact O-N 3.35Å; P381-R385 WeakPolarHBondContact O-CG 3.44Å; P381-R385 PolarHBondContact O-N 2.85Å
382L73.8Confident69.2Low94 Ų9489.3 Ų89.349%0.49243%0.432SS..Hα-helixtrans-63.5-48175.9-178.866.9000111.2Y378 L379 H384 R385 I386Y378-L382 WeakPolarHBondContact O-CB 3.38Å; Y378-L382 PolarHBondContact O-N 3.36Å; Y378-L382 VanDerWaalsContact O-N 3.11Å; L379-L382 PolarHBondContact O-N 3.37Å; L382-H384 VanDerWaalsContact C-N 3.29Å; L382-H384 PolarHBondContact O-N 3.29Å; L382-R385 PolarHBondContact O-N 2.84Å; L382-R385 VanDerWaalsContact O-N 3.17Å; L382-I386 HydrophobicContact CD1-CD1 4.45Å; L382-I386 HydrophobicContact CG-CD1 4.08Å; L382-I386 WeakPolarHBondContact O-CG1 3.31Å; L382-I386 PolarHBondContact O-N 2.98Å
383L73.2Confident68.8Low99 Ų9991.5 Ų91.552%0.51844%0.444SS..Hα-helixtrans-59.5-40.9175.3-73.5172.7000111.3L379 K380 R385 I386 D387L379-L383 HydrophobicContact CD1-CD1 4.45Å; L379-L383 HydrophobicContact CD1-CG 4.43Å; L379-L383 HydrophobicContact CG-CD1 3.93Å; L379-L383 HydrophobicContact CG-CG 4.32Å; L379-L383 WeakPolarHBondContact O-CB 3.48Å; L379-L383 VanDerWaalsContact O-CG 3.26Å; L379-L383 WeakPolarHBondContact O-CG 3.31Å; L379-L383 PolarHBondContact O-N 3.44Å; K380-L383 PolarHBondContact O-N 2.87Å; L383-R385 PolarHBondContact O-N 3.25Å; L383-I386 PolarHBondContact O-N 3.35Å; L383-D387 WeakPolarHBondContact O-CB 3.24Å; L383-D387 PolarHBondContact O-N 2.7Å
384H71.1Confident68.6Low113 Ų11393.9 Ų93.952%0.52347%0.47SS..Hα-helixtrans-66.9-35.4176.6-167.444.8000113K380 P381 L382 R388K380-H384 WeakPolarHBondContact O-CB 3.27Å; K380-H384 PolarHBondContact O-N 3.24Å; P381-H384 PolarHBondContact O-N 3.35Å; L382-H384 VanDerWaalsContact C-N 3.29Å; L382-H384 PolarHBondContact O-N 3.29Å; H384-R388 WeakPolarHBondContact O-CB 3.31Å; H384-R388 WeakPolarHBondContact O-CG 3.39Å; H384-R388 PolarHBondContact O-N 2.88Å
385R72.3Confident68.5Low193 Ų19396.1 Ų96.173%0.72848%0.482SS*.Hα-helixtrans-65.4-42.1171.7-77.6-178.2-179.9-175.71.4111.9P381 L382 L383 Y389P381-R385 WeakPolarHBondContact O-CG 3.44Å; P381-R385 PolarHBondContact O-N 2.85Å; L382-R385 PolarHBondContact O-N 2.84Å; L382-R385 VanDerWaalsContact O-N 3.17Å; L383-R385 PolarHBondContact O-N 3.25Å; R385-Y389 WeakPolarHBondContact O-CB 3.47Å; R385-Y389 PolarHBondContact O-N 3.36Å
386I73.6Confident67.5Low98 Ų9896.7 Ų96.750%0.50350%0.498SS..Hα-helixtrans-64.4-45.8177.3-67.6167.3000110.3L382 L383 Y389 A390L382-I386 HydrophobicContact CD1-CD1 4.45Å; L382-I386 HydrophobicContact CG-CD1 4.08Å; L382-I386 WeakPolarHBondContact O-CG1 3.31Å; L382-I386 PolarHBondContact O-N 2.98Å; L383-I386 PolarHBondContact O-N 3.35Å; I386-Y389 CarbonylContact O-C 3.48Å; I386-Y389 PolarHBondContact O-N 2.99Å; I386-Y389 VanDerWaalsContact O-N 3.14Å; I386-A390 WeakPolarHBondContact O-CB 3.12Å; I386-A390 PolarHBondContact O-N 3.04Å
387D72Confident66.7Low102 Ų10299.8 Ų99.855%0.54551%0.512SS..Hα-helixtrans-64.5-42.3179-17353.2000112.1L383 Y389 A390 S391L383-D387 WeakPolarHBondContact O-CB 3.24Å; L383-D387 PolarHBondContact O-N 2.7Å; D387-Y389 VanDerWaalsContact C-N 3.32Å; D387-Y389 PolarHBondContact O-N 2.6Å; D387-A390 PolarHBondContact O-N 3.34Å; D387-S391 WeakPolarHBondContact O-CB 3.32Å; D387-S391 PolarHBondContact O-N 2.78Å; D387-S391 PolarHBondContact O-OG 3.41Å
388R68.1Low66.1Low153 Ų153101.5 Ų101.558%0.57753%0.533SS*.Hα-helixtrans-60.5-40.8170.2-79-138.5-69.1-178.3-5.1112.3H384 S391 L392H384-R388 WeakPolarHBondContact O-CB 3.31Å; H384-R388 WeakPolarHBondContact O-CG 3.39Å; H384-R388 PolarHBondContact O-N 2.88Å; R388-S391 VanDerWaalsContact CA-OG 3.32Å; R388-S391 WeakPolarHBondContact CA-OG 3.39Å; R388-S391 PolarHBondContact O-OG 2.87Å; R388-L392 VanDerWaalsContact O-CB 3.24Å; R388-L392 WeakPolarHBondContact O-CB 3.46Å; R388-L392 WeakPolarHBondContact O-CD1 3.23Å; R388-L392 WeakPolarHBondContact O-CG 3.36Å; R388-L392 PolarHBondContact O-N 2.91Å
389Y61.5Low65.5Low122 Ų122101.4 Ų101.448%0.47854%0.544SS..Hα-helixtrans-68.3-40.7177.6-171.6-99.1000112.1R385 I386 D387 K393 T399R385-Y389 WeakPolarHBondContact O-CB 3.47Å; R385-Y389 PolarHBondContact O-N 3.36Å; I386-Y389 CarbonylContact O-C 3.48Å; I386-Y389 PolarHBondContact O-N 2.99Å; I386-Y389 VanDerWaalsContact O-N 3.14Å; D387-Y389 VanDerWaalsContact C-N 3.32Å; D387-Y389 PolarHBondContact O-N 2.6Å; Y389-K393 HydrophobicContact CE1-CD 4.3Å; Y389-K393 WeakPolarHBondContact O-CB 3.39Å; Y389-K393 PolarHBondContact O-N 3.4Å; Y389-T399 HydrophobicContact CE2-CG2 4.38Å
390A70.4Confident64.1Low51 Ų51107.1 Ų107.142%0.42157%0.565SS.*Hα-helixtrans-65.1-44.8177.300000111.8I386 D387 K393 A394I386-A390 WeakPolarHBondContact O-CB 3.12Å; I386-A390 PolarHBondContact O-N 3.04Å; D387-A390 PolarHBondContact O-N 3.34Å; A390-K393 PolarHBondContact O-N 3.16Å; A390-A394 VanDerWaalsContact O-CB 3.31Å; A390-A394 WeakPolarHBondContact O-CB 3.48Å; A390-A394 PolarHBondContact O-N 3Å
391S66.8Low62.9Low50 Ų50103.2 Ų103.235%0.3557%0.568SS.*Hα-helixtrans-65.7-43.1175.150.70000112.5D387 R388 K393 A394 I395D387-S391 WeakPolarHBondContact O-CB 3.32Å; D387-S391 PolarHBondContact O-N 2.78Å; D387-S391 PolarHBondContact O-OG 3.41Å; R388-S391 VanDerWaalsContact CA-OG 3.32Å; R388-S391 WeakPolarHBondContact CA-OG 3.39Å; R388-S391 PolarHBondContact O-OG 2.87Å; S391-K393 VanDerWaalsContact C-N 3.34Å; S391-K393 PolarHBondContact O-N 3.02Å; S391-A394 PolarHBondContact O-N 2.73Å; S391-I395 WeakPolarHBondContact O-CG1 3.32Å; S391-I395 PolarHBondContact O-N 3.19Å
392L63.1Low61.6Low72 Ų72106.2 Ų106.238%0.37759%0.589SS.*Hα-helixtrans-61.8-41.1173.8-72.8168.1000111.8R388 I395 G396 I397R388-L392 VanDerWaalsContact O-CB 3.24Å; R388-L392 WeakPolarHBondContact O-CB 3.46Å; R388-L392 WeakPolarHBondContact O-CD1 3.23Å; R388-L392 WeakPolarHBondContact O-CG 3.36Å; R388-L392 PolarHBondContact O-N 2.91Å; L392-I395 PolarHBondContact O-N 2.59Å; L392-G396 PolarHBondContact O-N 3.11Å; L392-I397 HydrophobicContact CB-CB 4.41Å; L392-I397 HydrophobicContact CD2-CB 4.33Å; L392-I397 HydrophobicContact CD2-CD1 3.97Å; L392-I397 HydrophobicContact CD2-CG2 4.45Å; L392-I397 WeakPolarHBondContact O-CA 3.43Å; L392-I397 WeakPolarHBondContact O-CB 3.4Å; L392-I397 PolarHBondContact O-N 3.36Å
393K65.1Low59.7Low142 Ų142113 Ų11362%0.61761%0.608SS**Hα-helixtrans-67.8-36.5175.9-165.8177.4-177.7-173.90112.1Y389 A390 S391 I395 G396Y389-K393 HydrophobicContact CE1-CD 4.3Å; Y389-K393 WeakPolarHBondContact O-CB 3.39Å; Y389-K393 PolarHBondContact O-N 3.4Å; A390-K393 PolarHBondContact O-N 3.16Å; S391-K393 VanDerWaalsContact C-N 3.34Å; S391-K393 PolarHBondContact O-N 3.02Å; K393-I395 VanDerWaalsContact C-N 3.3Å; K393-I395 PolarHBondContact O-N 3.25Å; K393-G396 PolarHBondContact O-N 3.48Å; K393-G396 VanDerWaalsContact O-N 3.12Å
394A65.9Low57.9Low89 Ų89117.2 Ų117.274%0.73662%0.622SS**Hα-helixtrans-65.9-31.3175.400000112.7A390 S391 G396A390-A394 VanDerWaalsContact O-CB 3.31Å; A390-A394 WeakPolarHBondContact O-CB 3.48Å; A390-A394 PolarHBondContact O-N 3Å; S391-A394 PolarHBondContact O-N 2.73Å; A394-G396 VanDerWaalsContact C-N 3.26Å
395I72.4Confident56.2Low132 Ų132123 Ų12368%0.67764%0.639SS**THydrogen-bonded Turntrans-88.57.9175.3-54.1161.8000111.3S391 L392 K393 I397S391-I395 WeakPolarHBondContact O-CG1 3.32Å; S391-I395 PolarHBondContact O-N 3.19Å; L392-I395 PolarHBondContact O-N 2.59Å; K393-I395 VanDerWaalsContact C-N 3.3Å; K393-I395 PolarHBondContact O-N 3.25Å; I395-I397 VanDerWaalsContact C-N 3.33Å; I395-I397 PolarHBondContact O-N 3.49Å
396G50.2Low54.3Low65 Ų65122 Ų12267%0.6764%0.643SS**THydrogen-bonded Turntrans78.89.1175.700000115.2L392 K393 A394 G398L392-G396 PolarHBondContact O-N 3.11Å; K393-G396 PolarHBondContact O-N 3.48Å; K393-G396 VanDerWaalsContact O-N 3.12Å; A394-G396 VanDerWaalsContact C-N 3.26Å; G396-G398 PolarHBondContact O-N 2.78Å; G396-G398 VanDerWaalsContact O-N 3.1Å
397I50.6Low52.4Low101 Ų101126.1 Ų126.152%0.51866%0.657SS.*  trans-84.482.5174.3-54.8177.4000108.4L392 I395L392-I397 HydrophobicContact CB-CB 4.41Å; L392-I397 HydrophobicContact CD2-CB 4.33Å; L392-I397 HydrophobicContact CD2-CD1 3.97Å; L392-I397 HydrophobicContact CD2-CG2 4.45Å; L392-I397 WeakPolarHBondContact O-CA 3.43Å; L392-I397 WeakPolarHBondContact O-CB 3.4Å; L392-I397 PolarHBondContact O-N 3.36Å; I395-I397 VanDerWaalsContact C-N 3.33Å; I395-I397 PolarHBondContact O-N 3.49Å
398G49Very low50.3Low55 Ų55132.4 Ų132.457%0.56767%0.673SS**PPolyproline II helixtrans-71.8135.1165.300000110.4G396 K400G396-G398 PolarHBondContact O-N 2.78Å; G396-G398 VanDerWaalsContact O-N 3.1Å; G398-K400 PolarHBondContact O-N 3.39Å
399T48.8Very low48.7Very low103 Ų103130.6 Ų130.663%0.63268%0.679SS**PPolyproline II helixtrans-63.2125.9172.447.30000109.1Y389 G401Y389-T399 HydrophobicContact CE2-CG2 4.38Å; T399-G401 PolarHBondContact O-N 2.87Å
400K44.4Very low47Very low204 Ų204133.7 Ų133.789%0.88769%0.689SS**PPolyproline II helixtrans-54.8118.8170.6-75.5-177.7177.61760107.4G398 C402G398-K400 PolarHBondContact O-N 3.39Å; K400-C402 PolarHBondContact O-N 3.42Å
401G41.4Very low45.4Very low70 Ų70136.7 Ų136.772%0.72270%0.702SS**  trans-42.3120.2176.300000109.3T399 R403T399-G401 PolarHBondContact O-N 2.87Å; G401-R403 PolarHBondContact O-N 3.37Å
402C39.9Very low43.6Very low122 Ų122143.4 Ų143.482%0.82472%0.721SS**  trans-51.5105-172.1-160.10000108.8K400 K404K400-C402 PolarHBondContact O-N 3.42Å; C402-K404 PolarHBondContact O-N 2.68Å
403R34.8Very low42.5Very low238 Ų238145.8 Ų145.890%0.89873%0.734SS**  trans-56.7114.4170.5-102.9-179174171-2.2105.5G401 R405G401-R403 PolarHBondContact O-N 3.37Å; R403-R405 VanDerWaalsContact C-N 3.3Å; R403-R405 PolarHBondContact O-N 2.87Å
404K34.7Very low41.3Very low186 Ų186144 Ų14481%0.80973%0.731SS**  trans-4992.4175.1-71.7179.9177.4176.40109.4C402 H406C402-K404 PolarHBondContact O-N 2.68Å; K404-H406 PolarHBondContact O-N 3.34Å
405R34.2Very low39.9Very low236 Ų236140.5 Ų140.589%0.89170%0.704SS**  trans-82.296.9166-123.4178.1178.1162.7-1.4105.2R403 K407R403-R405 VanDerWaalsContact C-N 3.3Å; R403-R405 PolarHBondContact O-N 2.87Å; R405-K407 PolarHBondContact O-N 3.24Å
406H32.9Very low38.6Very low172 Ų172137.3 Ų137.380%0.79669%0.693SS**  trans-62.784166-80.6-83.8000108.9K404K404-H406 PolarHBondContact O-N 3.34Å
407K34.8Very low38.1Very low183 Ų183138.8 Ų138.880%0.79668%0.682SS**  trans-121.1109148-83.1-170174.6-1740105.3R405 V409R405-K407 PolarHBondContact O-N 3.24Å; K407-V409 PolarHBondContact O-N 3.48Å
408R28.3Very low37.5Very low235 Ų235141.1 Ų141.189%0.88769%0.685SS**  trans-62.982.8169.8-81.9-179-179168.60.6107.6R410R408-R410 PolarHBondContact O-N 2.96Å
409V32.8Very low37.3Very low115 Ų115144.6 Ų144.670%0.69768%0.684SS**  trans-80.2101.3155.2-1790000104K407 V411K407-V409 PolarHBondContact O-N 3.48Å; V409-V411 HydrophobicContact CG1-CG2 3.96Å; V409-V411 PolarHBondContact O-N 3.31Å
410R27.6Very low37Very low186 Ų186145.9 Ų145.970%0.70268%0.683SS**  trans-66.991.2164.2-85-174.8-173.1161.52.8105.8R408 Y412R408-R410 PolarHBondContact O-N 2.96Å; R410-Y412 VanDerWaalsContact C-N 3.3Å; R410-Y412 HydrophobicContact CB-CD2 4.28Å; R410-Y412 HydrophobicContact CB-CE2 4.22Å; R410-Y412 PolarHBondContact O-N 2.83Å
411V35.1Very low36.7Very low114 Ų114139 Ų13969%0.69166%0.656SS**  trans-67.699.6161.6-176.50000105V409 N413V409-V411 HydrophobicContact CG1-CG2 3.96Å; V409-V411 PolarHBondContact O-N 3.31Å; V411-N413 HydrophobicContact CG1-CB 4.11Å; V411-N413 PolarHBondContact O-N 3.08Å
412Y30.5Very low36.7Very low192 Ų192137.8 Ų137.875%0.75364%0.636SS**  trans-69.978.5160.9-83.7-88.7000107R410 D414R410-Y412 VanDerWaalsContact C-N 3.3Å; R410-Y412 HydrophobicContact CB-CD2 4.28Å; R410-Y412 HydrophobicContact CB-CE2 4.22Å; R410-Y412 PolarHBondContact O-N 2.83Å; Y412-D414 VanDerWaalsContact C-N 3.28Å; Y412-D414 PolarHBondContact O-N 3.22Å
413N39.4Very low37Very low122 Ų122136.5 Ų136.565%0.65263%0.629SS**  trans-81.687.4157.5-161.91.8000104.8V411 G415V411-N413 HydrophobicContact CG1-CB 4.11Å; V411-N413 PolarHBondContact O-N 3.08Å; N413-G415 PolarHBondContact O-N 3.12Å
414D39.4Very low37.2Very low104 Ų104132.3 Ų132.356%0.55662%0.617SS**  trans-61.9-5.2175.7-176.511000111.3Y412 S416 K419Y412-D414 VanDerWaalsContact C-N 3.28Å; Y412-D414 PolarHBondContact O-N 3.22Å; D414-S416 PolarHBondContact O-N 3.38Å; D414-K419 WeakPolarHBondContact O-CE 3.34Å; D414-K419 PolarHBondContact O-NZ 3.13Å; D414-K419 IonicContact OD1-NZ 3.38Å; D414-K419 PolarHBondContact OD1-NZ 3.15Å
415G37.6Very low37.2Very low15 Ų15126.8 Ų126.816%0.15559%0.593CS.*  trans57.823179.800000110.8N413 F417 Y418 K419N413-G415 PolarHBondContact O-N 3.12Å; G415-F417 PolarHBondContact O-N 3.06Å; G415-Y418 CarbonylContact O-C 3.31Å; G415-Y418 PolarHBondContact O-N 3.11Å; G415-K419 WeakPolarHBondContact O-CB 3.35Å; G415-K419 WeakPolarHBondContact O-CG 3.26Å; G415-K419 PolarHBondContact O-N 3.23Å
416S43.4Very low37.4Very low66 Ų66124.6 Ų124.646%0.46259%0.59SS.*Hα-helixtrans-56-39.7179.262.80000109.9D414 K419 Q420D414-S416 PolarHBondContact O-N 3.38Å; S416-K419 PolarHBondContact O-N 3.37Å; S416-Q420 VanDerWaalsContact O-CB 3.27Å; S416-Q420 WeakPolarHBondContact O-CB 2.93Å; S416-Q420 VanDerWaalsContact O-CG 3.26Å; S416-Q420 WeakPolarHBondContact O-CG 3.39Å; S416-Q420 PolarHBondContact O-N 3.42Å
417F41Very low37.3Very low96 Ų96121.9 Ų121.942%0.42158%0.581SS.*Hα-helixtrans-64.3-43.4174.5-171.9-108.9000113.2G415 Q420 L421G415-F417 PolarHBondContact O-N 3.06Å; F417-Q420 PolarHBondContact O-N 3.46Å; F417-L421 HydrophobicContact CD1-CD1 3.71Å; F417-L421 HydrophobicContact CE1-CD1 3.32Å; F417-L421 HydrophobicContact CE1-CG 4.34Å; F417-L421 HydrophobicContact CE2-CD1 4.44Å; F417-L421 HydrophobicContact CG-CD1 4.42Å; F417-L421 HydrophobicContact CZ-CD1 3.74Å; F417-L421 HydrophobicContact CZ-CG 4.39Å; F417-L421 WeakPolarHBondContact O-CB 3.19Å; F417-L421 WeakPolarHBondContact O-CG 3.35Å; F417-L421 PolarHBondContact O-N 3.41Å
418Y38.6Very low37.1Very low150 Ų150123.7 Ų123.759%0.58858%0.583SS**Hα-helixtrans-73.2-33.6177.5-76.8-78.8000112.6G415 S422G415-Y418 CarbonylContact O-C 3.31Å; G415-Y418 PolarHBondContact O-N 3.11Å; Y418-S422 WeakPolarHBondContact O-CB 3.3Å; Y418-S422 PolarHBondContact O-N 3.03Å
419K43.7Very low37.2Very low127 Ų127119.1 Ų119.155%0.55258%0.575SS**Hα-helixtrans-66.7-42.3171.7-73.1170.8-176.5161.50110.5D414 G415 S416 S423D414-K419 WeakPolarHBondContact O-CE 3.34Å; D414-K419 PolarHBondContact O-NZ 3.13Å; D414-K419 IonicContact OD1-NZ 3.38Å; D414-K419 PolarHBondContact OD1-NZ 3.15Å; G415-K419 WeakPolarHBondContact O-CB 3.35Å; G415-K419 WeakPolarHBondContact O-CG 3.26Å; G415-K419 PolarHBondContact O-N 3.23Å; S416-K419 PolarHBondContact O-N 3.37Å; K419-S423 WeakPolarHBondContact O-CB 3.34Å; K419-S423 PolarHBondContact O-N 3.1Å
420Q43.4Very low37.1Very low131 Ų131119.2 Ų119.261%0.61258%0.578SS**Hα-helixtrans-63.5-46.9173.8-80.7175.4-8.600111.1S416 F417 F424S416-Q420 VanDerWaalsContact O-CB 3.27Å; S416-Q420 WeakPolarHBondContact O-CB 2.93Å; S416-Q420 VanDerWaalsContact O-CG 3.26Å; S416-Q420 WeakPolarHBondContact O-CG 3.39Å; S416-Q420 PolarHBondContact O-N 3.42Å; F417-Q420 PolarHBondContact O-N 3.46Å; Q420-F424 WeakPolarHBondContact O-CB 3.47Å; Q420-F424 PolarHBondContact O-N 3.02Å
421L37.1Very low37.3Very low60 Ų60117.5 Ų117.531%0.31458%0.578SS.*Hα-helixtrans-62.7-46175.7-77.9169.3000112.2F417 F424 F425F417-L421 HydrophobicContact CD1-CD1 3.71Å; F417-L421 HydrophobicContact CE1-CD1 3.32Å; F417-L421 HydrophobicContact CE1-CG 4.34Å; F417-L421 HydrophobicContact CE2-CD1 4.44Å; F417-L421 HydrophobicContact CG-CD1 4.42Å; F417-L421 HydrophobicContact CZ-CD1 3.74Å; F417-L421 HydrophobicContact CZ-CG 4.39Å; F417-L421 WeakPolarHBondContact O-CB 3.19Å; F417-L421 WeakPolarHBondContact O-CG 3.35Å; F417-L421 PolarHBondContact O-N 3.41Å; L421-F424 PolarHBondContact O-N 3.41Å; L421-F425 HydrophobicContact CB-CD2 4.48Å; L421-F425 HydrophobicContact CD2-CD2 3.97Å; L421-F425 HydrophobicContact CD2-CE2 3.56Å; L421-F425 WeakPolarHBondContact O-CB 3.37Å; L421-F425 VanDerWaalsContact O-CD2 3.24Å; L421-F425 WeakPolarHBondContact O-CD2 3.35Å; L421-F425 PolarHBondContact O-N 3.3Å
422S42.6Very low37.2Very low43 Ų43120.3 Ų120.330%0.30158%0.584SS.*Hα-helixtrans-66.5-41.8179.8177.30000112.2Y418 K426 L427Y418-S422 WeakPolarHBondContact O-CB 3.3Å; Y418-S422 PolarHBondContact O-N 3.03Å; S422-K426 WeakPolarHBondContact O-CA 3.46Å; S422-K426 PolarHBondContact O-N 3.46Å; S422-L427 PolarHBondContact O-N 2.86Å; S422-L427 PolarHBondContact OG-O 2.92Å
423S46.4Very low37.2Very low96 Ų96118.9 Ų118.967%0.67158%0.584SS**Hα-helixtrans-64.6-41.4174.6-1770000111.8K419K419-S423 WeakPolarHBondContact O-CB 3.34Å; K419-S423 PolarHBondContact O-N 3.1Å
424F37.2Very low36.6Very low150 Ų150119.9 Ų119.966%0.65859%0.589SS**Hα-helixtrans-73.5-39.1-178.3-166-97.8000112.4Q420 L421Q420-F424 WeakPolarHBondContact O-CB 3.47Å; Q420-F424 PolarHBondContact O-N 3.02Å; L421-F424 PolarHBondContact O-N 3.41Å
425F35Very low36.1Very low69 Ų69120.9 Ų120.930%0.30360%0.599SS.*Hα-helixtrans-88.5-3.6179.7-74.1-70.3000114.5W367 V370 L421 L427W367-F425 HydrophobicContact CH2-CE1 4.49Å; V370-F425 HydrophobicContact CG1-CZ 4.45Å; L421-F425 HydrophobicContact CB-CD2 4.48Å; L421-F425 HydrophobicContact CD2-CD2 3.97Å; L421-F425 HydrophobicContact CD2-CE2 3.56Å; L421-F425 WeakPolarHBondContact O-CB 3.37Å; L421-F425 VanDerWaalsContact O-CD2 3.24Å; L421-F425 WeakPolarHBondContact O-CD2 3.35Å; L421-F425 PolarHBondContact O-N 3.3Å; F425-L427 HydrophobicContact CB-CB 4.48Å; F425-L427 HydrophobicContact CB-CD1 3.6Å; F425-L427 HydrophobicContact CB-CG 3.72Å; F425-L427 HydrophobicContact CG-CD1 4.25Å; F425-L427 PolarHBondContact O-N 3.13Å
426K38.1Very low35.6Very low190 Ų190126.3 Ų126.383%0.82663%0.63SS**THydrogen-bonded Turntrans44.735.6-171.3-68.9-176.3177.6179.30112.3S422 R428S422-K426 WeakPolarHBondContact O-CA 3.46Å; S422-K426 PolarHBondContact O-N 3.46Å; K426-R428 PolarHBondContact O-N 2.69Å; K426-R428 VanDerWaalsContact O-N 3.1Å
427L32.4Very low34.9Very low115 Ų115128 Ų12860%0.60265%0.648SS**  trans-75.1104.9178.3-77.3163.5000107.5S422 F425 L429S422-L427 PolarHBondContact O-N 2.86Å; S422-L427 PolarHBondContact OG-O 2.92Å; F425-L427 HydrophobicContact CB-CB 4.48Å; F425-L427 HydrophobicContact CB-CD1 3.6Å; F425-L427 HydrophobicContact CB-CG 3.72Å; F425-L427 HydrophobicContact CG-CD1 4.25Å; F425-L427 PolarHBondContact O-N 3.13Å; L427-L429 PolarHBondContact O-N 2.94Å
428R29.6Very low34.3Very low221 Ų221128.5 Ų128.583%0.83466%0.663SS**PPolyproline II helixtrans-61.7116.9171.8-160.5174.3-166167.41.8107.4K426K426-R428 PolarHBondContact O-N 2.69Å; K426-R428 VanDerWaalsContact O-N 3.1Å
429L31.3Very low33.8Very low139 Ų139128.2 Ų128.273%0.72868%0.677SS**PPolyproline II helixtrans-55.9138.7172.2-71168000108.5L427 E431L427-L429 PolarHBondContact O-N 2.94Å; L429-E431 PolarHBondContact O-N 2.74Å
430P30.8Very low33.1Very low118 Ų118126.7 Ų126.777%0.76669%0.688SS**PPolyproline II helixtrans-57.2125.6169.8-1728.8000108.3E432P430-E432 PolarHBondContact O-N 3.1Å
431E31.5Very low32.5Very low149 Ų149129 Ų12970%0.69670%0.704SS**PPolyproline II helixtrans-57.7126.6169-70.5-171.6175.900107.7L429 H433L429-E431 PolarHBondContact O-N 2.74Å; E431-H433 VanDerWaalsContact C-N 3.29Å; E431-H433 PolarHBondContact O-N 2.84Å
432E31.5Very low32.1Very low173 Ų173129.4 Ų129.481%0.80872%0.722SS**  trans-58.298.3169.4-75.8-176.4159.900107.4P430 N434P430-E432 PolarHBondContact O-N 3.1Å; E432-N434 VanDerWaalsContact C-N 3.27Å; E432-N434 PolarHBondContact O-N 3.33Å
433H30.4Very low31.3Very low163 Ų163136.6 Ų136.676%0.75575%0.751SS**  trans-61.9101.5161-78.5-62.4000106.3E431 T435E431-H433 VanDerWaalsContact C-N 3.29Å; E431-H433 PolarHBondContact O-N 2.84Å; H433-T435 PolarHBondContact O-N 2.81Å
434N27.9Very low30.6Very low143 Ų143137.8 Ų137.877%0.76576%0.759SS**  trans-57.278.1163.5-78.8-34.4000108.9E432 T436E432-N434 VanDerWaalsContact C-N 3.27Å; E432-N434 PolarHBondContact O-N 3.33Å; N434-T436 VanDerWaalsContact C-N 3.32Å; N434-T436 PolarHBondContact O-N 3.04Å
435T29Very low30.1Very low124 Ų124140.8 Ų140.876%0.76177%0.766SS**  trans-84.789.1159.738.40000106.8H433 A437H433-T435 PolarHBondContact O-N 2.81Å; T435-A437 PolarHBondContact O-N 3.12Å
436T26.9Very low30Very low130 Ų130144.3 Ų144.380%0.79879%0.794SS**  trans-53.782.115537.70000109.2N434 S438N434-T436 VanDerWaalsContact C-N 3.32Å; N434-T436 PolarHBondContact O-N 3.04Å; T436-S438 PolarHBondContact O-N 3.35Å
437A29.1Very low29.4Very low102 Ų102143.1 Ų143.184%0.84379%0.791SS**  trans-86.965.1165.300000108.5T435T435-A437 PolarHBondContact O-N 3.12Å
438S27.6Very low29.3Very low105 Ų105149.2 Ų149.273%0.73481%0.806SS**  trans-122.254166.9175.40000108.8T436T436-S438 PolarHBondContact O-N 3.35Å
439T28.9Very low29.1Very low144 Ų144143.7 Ų143.788%0.88380%0.801SS**  trans-168.179.2163-11.20000110.8
440A27.8Very low29Very low96 Ų96145.7 Ų145.779%0.79381%0.809SS**  trans-163.344.6163.300000113
441L31.3Very low28.8Very low180 Ų180148 Ų14894%0.94281%0.81SS**  trans-137.777.2154.5-86.2171.3000106.7
442G27.9Very low28.7Very low68 Ų68148.4 Ų148.470%0.70182%0.816SS**  trans-66.4126.2168.600000110
443E26.9Very low28.3Very low194 Ų194143.3 Ų143.391%0.90781%0.811SS**  35.692125.3-59.9-177.4169.100116.7
444S32.6Very low28.3Very low121 Ų121146.4 Ų146.485%0.84682%0.817SS**  trans-110.492.8142.154.60000108.9
445R24.9Very low28.2Very low213 Ų213145 Ų14580%0.80482%0.819SS**  trans-59.2125.2167.2-177.2-176.6-171.3174.92.8110.2
446T33.4Very low28.3Very low142 Ų142144.2 Ų144.287%0.87182%0.818SS**  trans-158.3113139.6220000110.7
447E26.1Very low28.3Very low165 Ų165147.1 Ų147.177%0.77182%0.823SS**  trans-59.5137.7166.1-63.5160.415000110.7
448R29.9Very low28.2Very low244 Ų244145.7 Ų145.792%0.92182%0.818SS**  trans-163.2100.6131.1-110.2175.2-160.1-172.75.2110.6
449S25.9Very low28.4Very low104 Ų104150.7 Ų150.773%0.72783%0.827SS**  trans-47.6130.4144.7168.30000109.8
450M29.7Very low28.2Very low182 Ų182155.1 Ų155.190%0.89783%0.827SS**  -169.2133.7120.3-101.2-172.9173.300111.7
451Q25.5Very low28.4Very low167 Ų167157.2 Ų157.278%0.7883%0.83SS**  trans-64174.7169.3-71.5162.1-54.400112.6
452N29.1Very low28.5Very low156 Ų156153.9 Ų153.983%0.83482%0.819SS**  trans94.7108.4171.1-52.2-19.8000111.8
453G24.3Very low28.5Very low67 Ų67157 Ų15769%0.69182%0.824SS**  cis89.683.940.700000108.2
454Y29.8Very low28.7Very low227 Ų227153.4 Ų153.489%0.8982%0.816SS**  trans-142.6103.4158-100.2-81.8000108.8
455S25.2Very low28.5Very low114 Ų114155.5 Ų155.580%0.79782%0.818SS**  trans-77.6126.8153.9-177.50000107.1
456S32.5Very low29Very low107 Ų107154.6 Ų154.675%0.74882%0.819SS**  trans-153.4112.1153.661.30000109.3
457E25.4Very low28.7Very low192 Ų192152.7 Ų152.790%0.89781%0.812SS**  trans-38.5148.7162.9-61.3166.1132.100113.7
458G27.5Very low29.2Very low72 Ų72152.1 Ų152.174%0.74281%0.814SS**  trans170.795.3163.800000116.6
459K31.9Very low29.1Very low210 Ų210147.9 Ų147.991%0.91381%0.81SS**  trans87.796.2146.5-60.4-178.2179.4178.20119
460R23.9Very low29.6Very low237 Ų237148.2 Ų148.289%0.89481%0.812SS**  trans-36.9142.2135.2-66.5173.8177.9-179.8-1.8112.5
461T32Very low29.5Very low139 Ų139143 Ų14385%0.85381%0.806SS**  -168.3142105.132.80000111.1
462P34Very low29.9Very low111 Ų111140.9 Ų140.972%0.72181%0.809SS**  trans-101.9-168.2177.739-29.3000112.5
463V27.3Very low30Very low133 Ų133141.3 Ų141.381%0.80681%0.811SS**  trans92117.6172.4-161.20000111.5
464T32.1Very low30.9Very low119 Ų119151 Ų15173%0.7384%0.838SS**  -154.5134.861.845.60000113
465D27.8Very low30.9Very low165 Ų165147.2 Ų147.288%0.88284%0.836SS**  trans-62136.4148.9-81.3-45.3000110.3
466K34.8Very low31.2Very low193 Ų193148.9 Ų148.984%0.83984%0.838SS**  trans-143.6108.8150.6-86-163.6176.4-176.10109.7
467S28.7Very low31.1Very low102 Ų102151.2 Ų151.271%0.71384%0.843SS**  trans-60.5143.1150.650.70000111.2
468D35.7Very low31.5Very low153 Ų153148.8 Ų148.882%0.81884%0.839SS**  trans173.6102149.6-81.6-24.5000104.2
469N28.9Very low31.7Very low156 Ų156153.6 Ų153.683%0.83485%0.845SS**  50.7136.169.2-148.821.1000115.9
470S35Very low31.7Very low110 Ų110149.9 Ų149.977%0.76984%0.841SS**  trans73.1128.7-172.573.70000114.7
471G27.2Very low32.3Very low74 Ų74143.6 Ų143.676%0.76384%0.837SS**  cis92.391.320.600000109.9
472S34.6Very low32.3Very low121 Ų121144 Ų14485%0.84684%0.836SS**  trans-169.4129.1153.755.10000109.9
473D32.3Very low32.1Very low165 Ų165146.8 Ų146.888%0.88285%0.845SS**  trans-57141.7173.1-55.4-66.6000113.8
474E41.4Very low32.6Very low270 Ų270148 Ų148100%1.26285%0.849SS**  -1660127.3-99.8-177177.100107

Retrieved 474 of 474 residues in 90.4 ms (Link to these results)

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