A0A077ZHB0_TRITR Loading...

Carbamoyl phosphate-converting enzyme HypF

AlphaFold DB , UniProt , Accession A0A077ZHB0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 348 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
1M89.8Confident96Very high118 Ų11883.6 Ų83.658%0.58147%0.471SS*.  092.90-178.263.274.500106.1R17 V20 Q59M1-R17 HydrophobicContact CG-CB 4.1Å; M1-V20 HydrophobicContact CE-CB 4.24Å; M1-V20 HydrophobicContact CE-CG1 3.98Å; M1-V20 HydrophobicContact SD-CB 4.43Å; M1-Q59 HydrophobicContact CE-CB 3.85Å; M1-Q59 HydrophobicContact CE-CG 3.98Å; M1-Q59 HydrophobicContact SD-CB 3.33Å; M1-Q59 WeakPolarHBondContact SD-CB 3.5Å; M1-Q59 HydrophobicContact SD-CG 3.8Å
2D94.7Very high96.2Very high71 Ų7182.2 Ų82.238%0.3846%0.459SS..PPolyproline II helixtrans-75.3166.2-169.3-62.61000111.7S16 R17 H60D2-S16 WeakPolarHBondContact O-CB 3.32Å; D2-R17 WeakPolarHBondContact O-CB 3.05Å; D2-R17 PolarHBondContact O-N 3.44Å; D2-H60 IonicContact OD2-CD2 3.21Å
3D97.5Very high96.2Very high90 Ų9081.2 Ų81.248%0.48145%0.452SS..PPolyproline II helixtrans-65.2135.2170.1-65.4-20.7000110.5R14 R17D3-R14 WeakPolarHBondContact O-CD 3.31Å; D3-R17 IonicContact OD1-CZ 2.62Å; D3-R17 IonicContact OD1-NE 3.7Å; D3-R17 PolarHBondContact OD1-NE 3.22Å; D3-R17 IonicContact OD1-NH2 2.85Å; D3-R17 PolarHBondContact OD1-NH2 3.08Å; D3-R17 IonicContact OD2-NH2 3.12Å
4S98.3Very high96.4Very high32 Ų3282.1 Ų82.122%0.22445%0.445CS..PPolyproline II helixtrans-71.7145.7168.3-59.30000109.8R14 S16 R17 Y19S4-R14 CarbonylContact C-O 3.56Å; S4-R14 WeakPolarHBondContact CA-O 3.43Å; S4-R14 VanDerWaalsContact CB-O 3.31Å; S4-R14 WeakPolarHBondContact CB-O 3.49Å; S4-S16 WeakPolarHBondContact OG-CA 3.27Å; S4-S16 PolarHBondContact OG-N 2.57Å; S4-R17 WeakPolarHBondContact CB-O 3.43Å; S4-R17 PolarHBondContact OG-N 3.09Å; S4-R17 PolarHBondContact OG-O 3.36Å; S4-Y19 WeakPolarHBondContact OG-CD2 3.49Å
5V98.4Very high96.5Very high61 Ų6179.4 Ų79.437%0.3743%0.426SS..EExtended strand (participates in β ladder)trans-124122.9179-174.30000108.1L13 R14V5-L13 HydrophobicContact CB-CB 4.25Å; V5-L13 HydrophobicContact CG1-CB 4.14Å; V5-L13 HydrophobicContact CG1-CD1 4.07Å; V5-L13 WeakPolarHBondContact O-CA 3.36Å; V5-L13 PolarHBondContact O-N 3.43Å; V5-R14 HydrophobicContact CB-CB 4.04Å; V5-R14 HydrophobicContact CG2-CB 4.15Å; V5-R14 PolarHBondContact N-O 2.67Å; V5-R14 PolarHBondContact O-N 3.07Å
6V97.4Very high96.6Very high67 Ų6774.4 Ų74.441%0.40640%0.399SS..EExtended strand (participates in β ladder)trans-131.4147.2176.7-61.60000108.9E11 M12V6-E11 CarbonylContact C-O 3.57Å; V6-E11 VanDerWaalsContact CA-O 3.26Å; V6-E11 WeakPolarHBondContact CA-O 3.35Å; V6-M12 HydrophobicContact CG1-CE 3.82Å; V6-M12 HydrophobicContact CG1-SD 3.85Å
7R94.9Very high96.7Very high59 Ų5979 Ų7922%0.22341%0.409CS..  trans-76.1164.5169.2-64.9-160176.6155.1-11.4110.5S9 G10 E11 L13 H342 Q344R7-S9 WeakPolarHBondContact CB-OG 3.36Å; R7-S9 PolarHBondContact O-N 2.97Å; R7-G10 PolarHBondContact O-N 3.11Å; R7-E11 HydrophobicContact CB-CB 4.18Å; R7-E11 WeakPolarHBondContact CD-OE2 3.22Å; R7-E11 HydrophobicContact CG-CB 4.36Å; R7-E11 IonicContact CZ-OE2 3.27Å; R7-E11 PolarHBondContact N-O 3.17Å; R7-E11 IonicContact NE-OE2 3.51Å; R7-E11 IonicContact NH1-OE1 3.87Å; R7-E11 IonicContact NH1-OE2 3.84Å; R7-E11 PolarHBondContact NH1-OE2 3.3Å; R7-L13 HydrophobicContact CG-CD1 3.87Å; R7-L13 HydrophobicContact CG-CD2 4.46Å; R7-L13 HydrophobicContact CG-CG 4.21Å; R7-H342 VanDerWaalsContact CZ-O 3.24Å; R7-H342 PolarHBondContact NH1-O 3.43Å; R7-H342 PolarHBondContact NH2-O 3.48Å; R7-Q344 VanDerWaalsContact NH1-CG 3.32Å
8E96.4Very high96.7Very high208 Ų20878.4 Ų78.497%0.97243%0.425SS*.THydrogen-bonded Turntrans-57.3-32172.7-175.2177.4-177.800112.3G10E8-G10 PolarHBondContact O-N 2.77Å; E8-G10 VanDerWaalsContact O-N 3.17Å
9S95.8Very high96.8Very high97 Ų9779.1 Ų79.168%0.67842%0.422SS*.THydrogen-bonded Turntrans-64.9-12.1173.958.30000114.3R7 E11R7-S9 WeakPolarHBondContact CB-OG 3.36Å; R7-S9 PolarHBondContact O-N 2.97Å; S9-E11 PolarHBondContact OG-N 3.49Å
10G96.6Very high96.8Very high57 Ų5776.2 Ų76.259%0.58841%0.407SS*.  trans90.5-4.3-172.100000114.3R7 E8 M12R7-G10 PolarHBondContact O-N 3.11Å; E8-G10 PolarHBondContact O-N 2.77Å; E8-G10 VanDerWaalsContact O-N 3.17Å; G10-M12 PolarHBondContact O-N 3.33Å
11E96.5Very high96.8Very high60 Ų6074.6 Ų74.628%0.2840%0.401SS..  trans-59.2126.8175.9-176-172.5-178.300111.1V6 R7 S9 L13 H342V6-E11 CarbonylContact C-O 3.57Å; V6-E11 VanDerWaalsContact CA-O 3.26Å; V6-E11 WeakPolarHBondContact CA-O 3.35Å; R7-E11 HydrophobicContact CB-CB 4.18Å; R7-E11 WeakPolarHBondContact CD-OE2 3.22Å; R7-E11 HydrophobicContact CG-CB 4.36Å; R7-E11 IonicContact CZ-OE2 3.27Å; R7-E11 PolarHBondContact N-O 3.17Å; R7-E11 IonicContact NE-OE2 3.51Å; R7-E11 IonicContact NH1-OE1 3.87Å; R7-E11 IonicContact NH1-OE2 3.84Å; R7-E11 PolarHBondContact NH1-OE2 3.3Å; S9-E11 PolarHBondContact OG-N 3.49Å; E11-L13 HydrophobicContact CG-CD2 4.46Å; E11-H342 IonicContact OE1-CD2 2.75Å; E11-H342 PolarHBondContact OE1-CD2 3.3Å; E11-H342 VanDerWaalsContact OE1-CD2 3.27Å
12M97.9Very high97.2Very high66 Ų6673.8 Ų73.833%0.32540%0.399SS..EExtended strand (participates in β ladder)trans-81.6122.7-179.7179.463.168.800111.3V6 G10 R15 Y19V6-M12 HydrophobicContact CG1-CE 3.82Å; V6-M12 HydrophobicContact CG1-SD 3.85Å; G10-M12 PolarHBondContact O-N 3.33Å; M12-R15 HydrophobicContact CE-CB 4.17Å; M12-R15 HydrophobicContact CE-CG 4.22Å; M12-R15 HydrophobicContact CG-CB 4.13Å; M12-R15 HydrophobicContact SD-CB 3.76Å; M12-R15 HydrophobicContact SD-CG 4.45Å; M12-Y19 HydrophobicContact CE-CD1 4.36Å; M12-Y19 HydrophobicContact CE-CD2 4.04Å; M12-Y19 HydrophobicContact CE-CE1 4.01Å; M12-Y19 HydrophobicContact CE-CE2 3.68Å; M12-Y19 HydrophobicContact CE-CG 4.36Å
13L96.6Very high97.4Very high70 Ų7072 Ų7237%0.36639%0.394SS..EExtended strand (participates in β ladder)trans-106-32.9174.8-56.9-178.4000112.5V5 R7 E11V5-L13 HydrophobicContact CB-CB 4.25Å; V5-L13 HydrophobicContact CG1-CB 4.14Å; V5-L13 HydrophobicContact CG1-CD1 4.07Å; V5-L13 WeakPolarHBondContact O-CA 3.36Å; V5-L13 PolarHBondContact O-N 3.43Å; R7-L13 HydrophobicContact CG-CD1 3.87Å; R7-L13 HydrophobicContact CG-CD2 4.46Å; R7-L13 HydrophobicContact CG-CG 4.21Å; E11-L13 HydrophobicContact CG-CD2 4.46Å
14R98.5Very high97.4Very high94 Ų9471.7 Ų71.736%0.35539%0.392SS..EExtended strand (participates in β ladder)trans-149.1117.7175.1-175.1-173.7-72.5156-3.2110.1D3 S4 V5 H60D3-R14 WeakPolarHBondContact O-CD 3.31Å; S4-R14 CarbonylContact C-O 3.56Å; S4-R14 WeakPolarHBondContact CA-O 3.43Å; S4-R14 VanDerWaalsContact CB-O 3.31Å; S4-R14 WeakPolarHBondContact CB-O 3.49Å; V5-R14 HydrophobicContact CB-CB 4.04Å; V5-R14 HydrophobicContact CG2-CB 4.15Å; V5-R14 PolarHBondContact N-O 2.67Å; V5-R14 PolarHBondContact O-N 3.07Å; R14-H60 HydrophobicContact CG-CB 3.73Å; R14-H60 PolarHBondContact NE-CD2 3.46Å
15R98.1Very high97.4Very high41 Ų4173.3 Ų73.316%0.15541%0.407CS..  trans-97.9106.6177.5-172-176.9-178.3-87.83.8111M12 Y19 D22M12-R15 HydrophobicContact CE-CB 4.17Å; M12-R15 HydrophobicContact CE-CG 4.22Å; M12-R15 HydrophobicContact CG-CB 4.13Å; M12-R15 HydrophobicContact SD-CB 3.76Å; M12-R15 HydrophobicContact SD-CG 4.45Å; R15-Y19 HydrophobicContact CG-CD2 4.3Å; R15-Y19 HydrophobicContact CG-CG 4.06Å; R15-Y19 PolarHBondContact NH2-O 2.85Å; R15-Y19 VanDerWaalsContact NH2-O 3.11Å; R15-D22 PolarHBondContact NH2-O 2.93Å
16S98.3Very high97.4Very high0 Ų071.9 Ų71.90%040%0.398CS..  trans-142.8-110.1179-68.60000111.3D2 S4 G18 Y19 V20 H60D2-S16 WeakPolarHBondContact O-CB 3.32Å; S4-S16 WeakPolarHBondContact OG-CA 3.27Å; S4-S16 PolarHBondContact OG-N 2.57Å; S16-G18 PolarHBondContact O-N 3.36Å; S16-Y19 PolarHBondContact O-N 3.49Å; S16-V20 WeakPolarHBondContact O-CG2 3.45Å; S16-V20 PolarHBondContact O-N 2.99Å; S16-V20 VanDerWaalsContact O-N 3.08Å; S16-H60 WeakPolarHBondContact OG-CB 3.23Å; S16-H60 PolarHBondContact OG-N 2.81Å
17R97.8Very high97.5Very high152 Ų15269 Ų6957%0.57438%0.38SS*.THydrogen-bonded Turntrans-57.9131.9-178.5-175.6161.570.9104.8-7.6111.5M1 D2 D3 S4M1-R17 HydrophobicContact CG-CB 4.1Å; D2-R17 WeakPolarHBondContact O-CB 3.05Å; D2-R17 PolarHBondContact O-N 3.44Å; D3-R17 IonicContact OD1-CZ 2.62Å; D3-R17 IonicContact OD1-NE 3.7Å; D3-R17 PolarHBondContact OD1-NE 3.22Å; D3-R17 IonicContact OD1-NH2 2.85Å; D3-R17 PolarHBondContact OD1-NH2 3.08Å; D3-R17 IonicContact OD2-NH2 3.12Å; S4-R17 WeakPolarHBondContact CB-O 3.43Å; S4-R17 PolarHBondContact OG-N 3.09Å; S4-R17 PolarHBondContact OG-O 3.36Å
18G97.5Very high97.7Very high68 Ų6869.4 Ų69.470%0.70139%0.391SS*.THydrogen-bonded Turntrans90.6-12.5179.600000115.1S16S16-G18 PolarHBondContact O-N 3.36Å
19Y98.1Very high97.8Very high91 Ų9161.5 Ų61.536%0.35737%0.365SS..THydrogen-bonded Turntrans-119.1-32.3175.3-60.8-83.7000113S4 M12 R15 S16 D22S4-Y19 WeakPolarHBondContact OG-CD2 3.49Å; M12-Y19 HydrophobicContact CE-CD1 4.36Å; M12-Y19 HydrophobicContact CE-CD2 4.04Å; M12-Y19 HydrophobicContact CE-CE1 4.01Å; M12-Y19 HydrophobicContact CE-CE2 3.68Å; M12-Y19 HydrophobicContact CE-CG 4.36Å; R15-Y19 HydrophobicContact CG-CD2 4.3Å; R15-Y19 HydrophobicContact CG-CG 4.06Å; R15-Y19 PolarHBondContact NH2-O 2.85Å; R15-Y19 VanDerWaalsContact NH2-O 3.11Å; S16-Y19 PolarHBondContact O-N 3.49Å; Y19-D22 VanDerWaalsContact O-CB 3.25Å; Y19-D22 WeakPolarHBondContact O-CB 3.3Å; Y19-D22 PolarHBondContact O-N 2.79Å
20V97.8Very high97.9Very high21 Ų2159.1 Ų59.113%0.12734%0.342CS..THydrogen-bonded Turntrans-84.5131.9178.2178.50000108.8M1 S16 Q59 M80M1-V20 HydrophobicContact CE-CB 4.24Å; M1-V20 HydrophobicContact CE-CG1 3.98Å; M1-V20 HydrophobicContact SD-CB 4.43Å; S16-V20 WeakPolarHBondContact O-CG2 3.45Å; S16-V20 PolarHBondContact O-N 2.99Å; S16-V20 VanDerWaalsContact O-N 3.08Å; V20-Q59 HydrophobicContact CG1-CB 4.47Å; V20-Q59 HydrophobicContact CG2-CB 4.08Å; V20-M80 HydrophobicContact CG1-CE 3.75Å
21P97.1Very high98Very high44 Ų4462.8 Ų62.829%0.28634%0.342SS..THydrogen-bonded Turncis-103.827.915.441-36.2000115.4A23 V56 M80 Y84P21-A23 PolarHBondContact O-N 2.77Å; P21-V56 WeakPolarHBondContact O-CG2 3.18Å; P21-M80 HydrophobicContact CB-CE 3.86Å; P21-M80 HydrophobicContact CB-SD 3.55Å; P21-M80 VanDerWaalsContact CB-SD 3.55Å; P21-Y84 HydrophobicContact CB-CE2 4.37Å; P21-Y84 PolarHBondContact O-OH 2.96Å
22D97.9Very high98Very high100 Ų10066.9 Ų66.954%0.53537%0.366SS..  trans-57132.9-173.6-64.4-14.5000112.5R15 Y19R15-D22 PolarHBondContact NH2-O 2.93Å; Y19-D22 VanDerWaalsContact O-CB 3.25Å; Y19-D22 WeakPolarHBondContact O-CB 3.3Å; Y19-D22 PolarHBondContact O-N 2.79Å
23A97.8Very high98.1Very high34 Ų3465.2 Ų65.228%0.28136%0.359SS..  trans-82.9148.4177.900000111.5P21 A55 V56 Y84P21-A23 PolarHBondContact O-N 2.77Å; A23-A55 WeakPolarHBondContact CA-O 3.21Å; A23-V56 HydrophobicContact CB-CB 4.43Å; A23-Y84 HydrophobicContact CB-CE1 4.21Å
24L98.2Very high98.2Very high84 Ų8464.4 Ų64.444%0.4436%0.358SS..EExtended strand (participates in β ladder)trans-110.1141.2177.4-58.7173.1000109.4Q54 A55 L57L24-Q54 VanDerWaalsContact O-CA 3.28Å; L24-Q54 WeakPolarHBondContact O-CA 3.39Å; L24-A55 PolarHBondContact N-O 3.29Å; L24-A55 PolarHBondContact O-N 3.46Å; L24-L57 HydrophobicContact CD1-CD1 4.41Å
25A98.5Very high98.2Very high65 Ų6560.7 Ų60.754%0.53735%0.346SS..EExtended strand (participates in β ladder)trans-71.9134.8172.500000110.2Q130A25-Q130 PolarHBondContact O-NE2 3.26Å
26L98.8Very high98.2Very high32 Ų3259.6 Ų59.617%0.16834%0.344CS..PPolyproline II helixtrans-71157.2170.8-67.3175.9000110.5F30 V33 V50 E53 A55L26-F30 HydrophobicContact CB-CB 3.67Å; L26-F30 HydrophobicContact CB-CG 4.27Å; L26-F30 HydrophobicContact CD1-CB 3.93Å; L26-F30 HydrophobicContact CD1-CG 4.5Å; L26-F30 HydrophobicContact CG-CB 4.42Å; L26-V33 HydrophobicContact CD1-CG2 4.05Å; L26-V50 HydrophobicContact CD1-CG1 3.81Å; L26-V50 HydrophobicContact CD2-CG1 4.37Å; L26-E53 WeakPolarHBondContact CB-O 3.36Å; L26-E53 PolarHBondContact N-O 3.42Å; L26-A55 HydrophobicContact CD2-CB 3.89Å
27P98.7Very high98.2Very high5 Ų559.6 Ų59.63%0.03234%0.344CS..PPolyproline II helixtrans-60.6163178.6-2333.6000114.1G29 F30 A127 W131 Y164P27-G29 PolarHBondContact O-N 3.22Å; P27-F30 HydrophobicContact CB-CD2 3.99Å; P27-F30 HydrophobicContact CB-CE2 4.2Å; P27-F30 HydrophobicContact CG-CD2 4.23Å; P27-F30 HydrophobicContact CG-CE2 4.24Å; P27-F30 WeakPolarHBondContact O-CB 3.45Å; P27-F30 WeakPolarHBondContact O-CD2 3.42Å; P27-F30 PolarHBondContact O-N 2.93Å; P27-A127 HydrophobicContact CG-CB 3.96Å; P27-W131 WeakPolarHBondContact CB-O 3.12Å; P27-Y164 WeakPolarHBondContact CG-OH 3.43Å
28P98.7Very high98.3Very high69 Ų6954 Ų5445%0.44833%0.328SS..THydrogen-bonded Turntrans-52.1135.7176.5-25.934.9000112.6Q130 P132 L133P28-Q130 WeakPolarHBondContact CD-O 3.41Å; P28-P132 HydrophobicContact CB-CB 4.29Å; P28-P132 WeakPolarHBondContact O-CA 3.46Å; P28-L133 PolarHBondContact O-N 3.45Å
29G98.3Very high98.4Very high41 Ų4150.8 Ų50.842%0.42329%0.294SS..THydrogen-bonded Turntrans93.5-21.3179.700000114.5P27 K31 L133P27-G29 PolarHBondContact O-N 3.22Å; G29-K31 PolarHBondContact O-N 3.42Å; G29-K31 VanDerWaalsContact O-N 3.07Å; G29-L133 WeakPolarHBondContact O-CD2 3.45Å
30F98.5Very high98.4Very high47 Ų4748 Ų4821%0.20629%0.293CS..  trans-74.698.7170.2-73.5-92.5000110.3L26 P27 V33 L133 Y164L26-F30 HydrophobicContact CB-CB 3.67Å; L26-F30 HydrophobicContact CB-CG 4.27Å; L26-F30 HydrophobicContact CD1-CB 3.93Å; L26-F30 HydrophobicContact CD1-CG 4.5Å; L26-F30 HydrophobicContact CG-CB 4.42Å; P27-F30 HydrophobicContact CB-CD2 3.99Å; P27-F30 HydrophobicContact CB-CE2 4.2Å; P27-F30 HydrophobicContact CG-CD2 4.23Å; P27-F30 HydrophobicContact CG-CE2 4.24Å; P27-F30 WeakPolarHBondContact O-CB 3.45Å; P27-F30 WeakPolarHBondContact O-CD2 3.42Å; P27-F30 PolarHBondContact O-N 2.93Å; F30-V33 HydrophobicContact CB-CG2 4.4Å; F30-V33 HydrophobicContact CD1-CG2 4.33Å; F30-L133 HydrophobicContact CD2-CB 4.11Å; F30-L133 HydrophobicContact CD2-CD1 4.39Å; F30-L133 HydrophobicContact CE1-CD1 3.95Å; F30-L133 HydrophobicContact CE2-CB 3.99Å; F30-L133 HydrophobicContact CE2-CD1 3.82Å; F30-L133 HydrophobicContact CE2-CG 4.48Å; F30-L133 HydrophobicContact CZ-CD1 3.59Å; F30-Y164 AromaticContact CE2-CD2 3.84Å; F30-Y164 HydrophobicContact CE2-CD2 3.84Å; F30-Y164 HydrophobicContact CE2-CE1 4.48Å; F30-Y164 AromaticContact CE2-CE2 3.69Å; F30-Y164 HydrophobicContact CE2-CE2 3.69Å; F30-Y164 HydrophobicContact CE2-CG 4.29Å; F30-Y164 HydrophobicContact CZ-CD1 4.09Å; F30-Y164 AromaticContact CZ-CD2 3.81Å; F30-Y164 HydrophobicContact CZ-CD2 3.81Å; F30-Y164 HydrophobicContact CZ-CE1 4.35Å; F30-Y164 HydrophobicContact CZ-CE2 4.06Å; F30-Y164 AromaticContact CZ-CG 3.81Å; F30-Y164 HydrophobicContact CZ-CG 3.81Å
31K97.8Very high98.4Very high134 Ų13448 Ų4858%0.58330%0.295SS*.  trans-131.1147.1179.6-52.9-165.8173.1-1770112G29 V33 E53G29-K31 PolarHBondContact O-N 3.42Å; G29-K31 VanDerWaalsContact O-N 3.07Å; K31-V33 PolarHBondContact O-N 3.5Å; K31-V33 VanDerWaalsContact O-N 3.17Å; K31-E53 HydrophobicContact CB-CG 4.44Å; K31-E53 VanDerWaalsContact CD-OE1 3.31Å; K31-E53 WeakPolarHBondContact CD-OE1 3.49Å; K31-E53 HydrophobicContact CG-CG 4.4Å; K31-E53 WeakPolarHBondContact CG-OE1 3.33Å
32N98Very high98.4Very high147 Ų14746.6 Ų46.679%0.78629%0.286SS*.SBendtrans52.834.8177.1-55.5-54.2000113.3G52N32-G52 PolarHBondContact N-O 2.99Å
33V98.6Very high98.3Very high30 Ų3046.3 Ų46.318%0.18228%0.284CS..EExtended strand (participates in β ladder)trans-63.5131.1178.6-177.70000108.9L26 F30 K31 V50 R51 G52L26-V33 HydrophobicContact CD1-CG2 4.05Å; F30-V33 HydrophobicContact CB-CG2 4.4Å; F30-V33 HydrophobicContact CD1-CG2 4.33Å; K31-V33 PolarHBondContact O-N 3.5Å; K31-V33 VanDerWaalsContact O-N 3.17Å; V33-V50 HydrophobicContact CB-CG1 4.47Å; V33-V50 HydrophobicContact CG1-CG1 3.84Å; V33-R51 WeakPolarHBondContact O-CA 3.47Å; V33-G52 WeakPolarHBondContact CB-O 3.44Å; V33-G52 WeakPolarHBondContact CG2-O 3.48Å; V33-G52 PolarHBondContact N-O 3.06Å; V33-G52 PolarHBondContact O-N 3.19Å
34P98.6Very high98.3Very high54 Ų5451.4 Ų51.435%0.35130%0.299SS..EExtended strand (participates in β ladder)trans-63.7164176.728.2-35.7000110.9V36 V50 Y90P34-V36 HydrophobicContact CG-CG2 4.36Å; P34-V36 WeakPolarHBondContact O-CG2 3.36Å; P34-V36 PolarHBondContact O-N 3.47Å; P34-V50 VanDerWaalsContact O-O 3.07Å; P34-Y90 HydrophobicContact CB-CD2 4.14Å; P34-Y90 HydrophobicContact CB-CE2 3.83Å; P34-Y90 HydrophobicContact CG-CD2 4.01Å; P34-Y90 HydrophobicContact CG-CE2 3.79Å
35P98.8Very high98.3Very high16 Ų1647.5 Ų47.510%0.10428%0.279CS..EExtended strand (participates in β ladder)trans-62.7108.5175.1-17.730.4000111.4V50 R51 F86 T87 Q89 Y90P35-V50 CarbonylContact C-O 3.57Å; P35-V50 WeakPolarHBondContact CA-O 3.37Å; P35-R51 HydrophobicContact CG-CG 4.24Å; P35-F86 HydrophobicContact CB-CD2 4.4Å; P35-F86 HydrophobicContact CB-CE1 4.24Å; P35-F86 HydrophobicContact CB-CE2 3.82Å; P35-F86 HydrophobicContact CB-CZ 3.72Å; P35-T87 WeakPolarHBondContact CB-O 3.35Å; P35-Q89 HydrophobicContact CB-CG 4.44Å; P35-Q89 HydrophobicContact CG-CG 4.12Å; P35-Q89 PolarHBondContact O-N 3.22Å; P35-Y90 PolarHBondContact O-N 3.26Å
36V98.9Very high98.3Very high17 Ų1746.6 Ų46.610%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-116128.3177.1-174.70000110.1P34 V50 F86 Y90 V92P34-V36 HydrophobicContact CG-CG2 4.36Å; P34-V36 WeakPolarHBondContact O-CG2 3.36Å; P34-V36 PolarHBondContact O-N 3.47Å; V36-V50 HydrophobicContact CB-CB 4.35Å; V36-V50 PolarHBondContact N-O 3.43Å; V36-V50 PolarHBondContact O-N 2.87Å; V36-F86 WeakPolarHBondContact O-CZ 3.43Å; V36-Y90 HydrophobicContact CG2-CD2 4.36Å; V36-V92 HydrophobicContact CG1-CG2 3.47Å; V36-V92 VanDerWaalsContact CG1-CG2 3.47Å
37L98.9Very high98.3Very high1 Ų145 Ų451%0.00526%0.259CS..EExtended strand (participates in β ladder)trans-97.1116168.6168.561.8000109.3L39 F47 L49 L77 P88 Y90 V91 V92 M108L37-L39 HydrophobicContact CD1-CD2 4.08Å; L37-L39 HydrophobicContact CD2-CD2 3.79Å; L37-L39 HydrophobicContact CG-CD2 3.68Å; L37-F47 HydrophobicContact CD1-CB 4.16Å; L37-F47 HydrophobicContact CD1-CD2 4.22Å; L37-F47 HydrophobicContact CD1-CG 4.43Å; L37-L49 HydrophobicContact CD1-CD2 3.6Å; L37-L77 HydrophobicContact CD1-CD1 3.81Å; L37-L77 HydrophobicContact CD2-CD1 4.32Å; L37-L77 HydrophobicContact CD2-CD2 3.92Å; L37-P88 HydrophobicContact CB-CB 3.82Å; L37-P88 HydrophobicContact CB-CG 4.33Å; L37-Y90 PolarHBondContact N-O 3.11Å; L37-V91 HydrophobicContact CB-CG2 4.47Å; L37-V91 CarbonylContact O-C 3.49Å; L37-V91 VanDerWaalsContact O-CA 3.26Å; L37-V91 WeakPolarHBondContact O-CA 3.49Å; L37-V92 PolarHBondContact O-N 2.96Å; L37-M108 HydrophobicContact CD2-CE 4.15Å; L37-M108 HydrophobicContact CD2-SD 3.71Å
38C98.9Very high98.3Very high34 Ų3445.7 Ų45.723%0.2326%0.263CS..EExtended strand (participates in β ladder)trans-99.2126.4173-490000109.3F47 C48 V92C38-F47 CarbonylContact O-C 3.51Å; C38-F47 WeakPolarHBondContact O-CA 3.41Å; C38-F47 VanDerWaalsContact O-CB 3.31Å; C38-F47 WeakPolarHBondContact O-CB 3.42Å; C38-C48 HydrophobicContact CB-CB 4Å; C38-C48 PolarHBondContact N-O 3.26Å; C38-C48 PolarHBondContact O-N 2.81Å; C38-V92 CarbonylContact C-O 3.53Å; C38-V92 WeakPolarHBondContact CA-O 3.31Å; C38-V92 HydrophobicContact CB-CB 4.29Å
39L98.8Very high98.3Very high0 Ų042.6 Ų42.60%024%0.243CC..  trans-86.3-13.6-174.4-57-171.6000114.4L37 N45 W73 V91 V92 H93 S101 A105 M108L37-L39 HydrophobicContact CD1-CD2 4.08Å; L37-L39 HydrophobicContact CD2-CD2 3.79Å; L37-L39 HydrophobicContact CG-CD2 3.68Å; L39-N45 PolarHBondContact O-ND2 3.47Å; L39-W73 HydrophobicContact CD2-CH2 3.74Å; L39-W73 HydrophobicContact CD2-CZ2 3.63Å; L39-V91 HydrophobicContact CD1-CG1 3.99Å; L39-V91 HydrophobicContact CD2-CG1 4.28Å; L39-V91 HydrophobicContact CG-CG1 3.91Å; L39-V92 PolarHBondContact N-O 3.22Å; L39-H93 HydrophobicContact CB-CB 4.37Å; L39-H93 HydrophobicContact CD1-CB 4.28Å; L39-H93 HydrophobicContact CG-CB 4.49Å; L39-S101 WeakPolarHBondContact CD1-O 3.3Å; L39-A105 HydrophobicContact CD1-CB 3.59Å; L39-M108 HydrophobicContact CD1-CE 4.28Å; L39-M108 HydrophobicContact CD2-CE 3.88Å; L39-M108 HydrophobicContact CD2-SD 4.37Å
40G98.5Very high98.3Very high32 Ų3241.6 Ų41.633%0.3323%0.229SC..  trans71.9-161.3-174.400000112.9
41A97.9Very high98.4Very high21 Ų2144.4 Ų44.417%0.17424%0.238CC..  trans-99.5169.417500000111.5N45 Y99A41-N45 WeakPolarHBondContact O-CB 3.24Å; A41-N45 PolarHBondContact O-ND2 3.33Å; A41-Y99 HydrophobicContact CB-CE2 3.93Å
42D97.5Very high98.4Very high15 Ų1539.1 Ų39.18%0.0822%0.221CC..SBendtrans-71.3-33-178.1-81.28.3000113.8D63 L64 Y99 V100 S101D42-D63 WeakPolarHBondContact O-CA 3.15Å; D42-L64 HydrophobicContact CB-CB 4.37Å; D42-L64 PolarHBondContact O-N 3Å; D42-Y99 HydrophobicContact CB-CD1 4.29Å; D42-Y99 HydrophobicContact CB-CD2 4.3Å; D42-Y99 HydrophobicContact CB-CG 4.19Å; D42-Y99 WeakPolarHBondContact OD1-CB 3.49Å; D42-Y99 WeakPolarHBondContact OD2-CA 3.42Å; D42-Y99 WeakPolarHBondContact OD2-CB 3.45Å; D42-V100 PolarHBondContact OD1-N 3.15Å; D42-V100 PolarHBondContact OD2-N 3.17Å; D42-S101 WeakPolarHBondContact OD1-CB 3.21Å; D42-S101 PolarHBondContact OD1-N 2.96Å; D42-S101 PolarHBondContact OD1-OG 3.26Å
43L96Very high98.4Very high95 Ų9536.8 Ų36.850%0.49721%0.206SC..THydrogen-bonded Turntrans-92.5140.3178.5-68.8177.5000111.7N45 D63L43-N45 PolarHBondContact O-N 2.98Å; L43-D63 HydrophobicContact CD2-CB 4.12Å; L43-D63 WeakPolarHBondContact CD2-OD2 3.31Å
44K96.8Very high98.4Very high140 Ų14040.4 Ų40.461%0.60922%0.221SC*.THydrogen-bonded Turntrans5239.7179.9-56.5-178.2177.368.10112.4H60 G62K44-H60 VanDerWaalsContact CA-CE1 3.47Å; K44-H60 WeakPolarHBondContact CA-CE1 3.45Å; K44-G62 CarbonylContact C-O 3.55Å; K44-G62 VanDerWaalsContact CA-O 3.32Å; K44-G62 WeakPolarHBondContact CA-O 3.17Å; K44-G62 PolarHBondContact N-O 3.3Å
45N98.6Very high98.4Very high2 Ų238.6 Ų38.61%0.01121%0.21CC..  trans-58.8142.5-165.1-177.5-100.5000113.7L39 A41 L43 L61 G62 L64 W73L39-N45 PolarHBondContact O-ND2 3.47Å; A41-N45 WeakPolarHBondContact O-CB 3.24Å; A41-N45 PolarHBondContact O-ND2 3.33Å; L43-N45 PolarHBondContact O-N 2.98Å; N45-L61 HydrophobicContact CB-CB 4.41Å; N45-L61 PolarHBondContact O-N 3.44Å; N45-G62 PolarHBondContact N-O 2.9Å; N45-L64 HydrophobicContact CB-CD1 4.16Å; N45-L64 HydrophobicContact CB-CD2 3.57Å; N45-L64 HydrophobicContact CB-CG 3.72Å; N45-W73 PolarHBondContact OD1-NE1 2.95Å; N45-W73 VanDerWaalsContact OD1-NE1 3.15Å
46T98.8Very high98.4Very high46 Ų4638.1 Ų38.128%0.28221%0.207SC..  trans-139.3139157.858.20000108.1S58T46-S58 VanDerWaalsContact CA-OG 3.27Å; T46-S58 WeakPolarHBondContact CA-OG 3.5Å
47F98.8Very high98.4Very high0 Ų039.7 Ų39.70%021%0.214CC..  trans-89.8159.3163.466.2-102.1000110.4L37 C38 L49 S58 L61 W73 A76 L77 M80L37-F47 HydrophobicContact CD1-CB 4.16Å; L37-F47 HydrophobicContact CD1-CD2 4.22Å; L37-F47 HydrophobicContact CD1-CG 4.43Å; C38-F47 CarbonylContact O-C 3.51Å; C38-F47 WeakPolarHBondContact O-CA 3.41Å; C38-F47 VanDerWaalsContact O-CB 3.31Å; C38-F47 WeakPolarHBondContact O-CB 3.42Å; F47-L49 HydrophobicContact CD2-CD2 4.09Å; F47-L49 HydrophobicContact CD2-CG 4.46Å; F47-L49 HydrophobicContact CE2-CD2 4.23Å; F47-L49 HydrophobicContact CE2-CG 4.35Å; F47-S58 VanDerWaalsContact CZ-CB 3.42Å; F47-S58 PolarHBondContact N-OG 3.22Å; F47-S58 PolarHBondContact O-N 2.93Å; F47-L61 HydrophobicContact CD1-CD1 3.81Å; F47-L61 HydrophobicContact CE1-CD1 3.86Å; F47-W73 HydrophobicContact CB-CZ2 4.02Å; F47-W73 HydrophobicContact CD1-CD2 4.48Å; F47-W73 AromaticContact CD1-CE2 3.8Å; F47-W73 AromaticContact CD1-CZ2 3.99Å; F47-W73 HydrophobicContact CD1-CZ2 3.99Å; F47-W73 AromaticContact CD1-NE1 3.74Å; F47-W73 HydrophobicContact CG-CZ2 4.27Å; F47-A76 HydrophobicContact CE1-CB 3.87Å; F47-A76 HydrophobicContact CZ-CB 4.17Å; F47-L77 HydrophobicContact CD2-CD1 4.05Å; F47-L77 HydrophobicContact CE1-CB 4.01Å; F47-L77 HydrophobicContact CE2-CD1 3.84Å; F47-L77 VanDerWaalsContact CZ-CA 3.43Å; F47-L77 HydrophobicContact CZ-CB 4Å; F47-L77 HydrophobicContact CZ-CD1 4.17Å; F47-M80 HydrophobicContact CE2-CB 4.09Å; F47-M80 HydrophobicContact CE2-CG 4.26Å; F47-M80 HydrophobicContact CZ-CB 4.19Å
48C98.9Very high98.4Very high19 Ų1939.7 Ų39.713%0.12821%0.214CC..EExtended strand (participates in β ladder)trans-127.9136.1176.4-166.20000110.4C38 V56 L57C38-C48 HydrophobicContact CB-CB 4Å; C38-C48 PolarHBondContact N-O 3.26Å; C38-C48 PolarHBondContact O-N 2.81Å; C48-V56 CarbonylContact C-O 3.55Å; C48-V56 WeakPolarHBondContact CA-O 3.35Å; C48-L57 HydrophobicContact CB-CD2 3.69Å
49L98.9Very high98.4Very high3 Ų339.3 Ų39.32%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-104125.5167.7-44.7-177.8000108.6L37 F47 A55 V56 L77 M80 Q81 F86L37-L49 HydrophobicContact CD1-CD2 3.6Å; F47-L49 HydrophobicContact CD2-CD2 4.09Å; F47-L49 HydrophobicContact CD2-CG 4.46Å; F47-L49 HydrophobicContact CE2-CD2 4.23Å; F47-L49 HydrophobicContact CE2-CG 4.35Å; L49-A55 CarbonylContact O-C 3.56Å; L49-A55 WeakPolarHBondContact O-CA 3.26Å; L49-V56 HydrophobicContact CB-CG1 3.67Å; L49-V56 HydrophobicContact CD1-CG1 4.09Å; L49-V56 HydrophobicContact CG-CG1 4.04Å; L49-V56 PolarHBondContact N-O 3.45Å; L49-V56 PolarHBondContact O-N 2.97Å; L49-L77 HydrophobicContact CD2-CD1 3.8Å; L49-M80 HydrophobicContact CD1-CB 3.96Å; L49-M80 HydrophobicContact CD1-CG 3.55Å; L49-M80 HydrophobicContact CG-CG 4.29Å; L49-Q81 HydrophobicContact CD1-CG 4.42Å; L49-F86 HydrophobicContact CB-CD1 4.36Å; L49-F86 HydrophobicContact CB-CD2 4.07Å; L49-F86 HydrophobicContact CB-CE1 4.14Å; L49-F86 HydrophobicContact CB-CE2 3.81Å; L49-F86 HydrophobicContact CB-CG 4.34Å; L49-F86 HydrophobicContact CB-CZ 3.86Å; L49-F86 HydrophobicContact CD1-CB 4.3Å; L49-F86 HydrophobicContact CD1-CD1 4.08Å; L49-F86 HydrophobicContact CD1-CG 4.07Å; L49-F86 HydrophobicContact CD2-CD1 4.15Å; L49-F86 HydrophobicContact CD2-CE1 3.91Å; L49-F86 HydrophobicContact CD2-CZ 4.38Å; L49-F86 HydrophobicContact CG-CD1 4.44Å; L49-F86 HydrophobicContact CG-CE1 4.43Å
50V98.9Very high98.3Very high21 Ų2140.5 Ų40.513%0.12722%0.215CC..EExtended strand (participates in β ladder)trans-120.7127-179.7-171.50000109.3L26 V33 P34 P35 V36 A55 F86L26-V50 HydrophobicContact CD1-CG1 3.81Å; L26-V50 HydrophobicContact CD2-CG1 4.37Å; V33-V50 HydrophobicContact CB-CG1 4.47Å; V33-V50 HydrophobicContact CG1-CG1 3.84Å; P34-V50 VanDerWaalsContact O-O 3.07Å; P35-V50 CarbonylContact C-O 3.57Å; P35-V50 WeakPolarHBondContact CA-O 3.37Å; V36-V50 HydrophobicContact CB-CB 4.35Å; V36-V50 PolarHBondContact N-O 3.43Å; V36-V50 PolarHBondContact O-N 2.87Å; V50-A55 HydrophobicContact CG2-CB 4.23Å; V50-F86 WeakPolarHBondContact O-CE2 3.49Å
51R98.7Very high98.3Very high105 Ų10539.4 Ų39.440%0.39620%0.201SC..EExtended strand (participates in β ladder)trans-157.8141.2173.4-176.517770.2-169.9-4.9110.6V33 P35 E53 Q54 Y84 D85 F86V33-R51 WeakPolarHBondContact O-CA 3.47Å; P35-R51 HydrophobicContact CG-CG 4.24Å; R51-E53 PolarHBondContact O-N 3.16Å; R51-Q54 PolarHBondContact N-O 2.67Å; R51-Q54 VanDerWaalsContact N-O 3.13Å; R51-Q54 PolarHBondContact O-N 2.98Å; R51-Y84 PolarHBondContact NH2-O 3.34Å; R51-D85 PolarHBondContact NH1-O 2.77Å; R51-F86 HydrophobicContact CB-CD2 4.14Å; R51-F86 HydrophobicContact CB-CE2 3.8Å
52G98.4Very high98.2Very high23 Ų2339.3 Ų39.324%0.23720%0.202CC..EExtended strand (participates in β ladder)trans68.9-111178.300000111N32 V33N32-G52 PolarHBondContact N-O 2.99Å; V33-G52 WeakPolarHBondContact CB-O 3.44Å; V33-G52 WeakPolarHBondContact CG2-O 3.48Å; V33-G52 PolarHBondContact N-O 3.06Å; V33-G52 PolarHBondContact O-N 3.19Å
53E98.5Very high98.2Very high99 Ų9940.6 Ų40.646%0.46321%0.21SC..THydrogen-bonded Turntrans-121.917.5-178.7-54.6-168169.400111.3L26 K31 R51L26-E53 WeakPolarHBondContact CB-O 3.36Å; L26-E53 PolarHBondContact N-O 3.42Å; K31-E53 HydrophobicContact CB-CG 4.44Å; K31-E53 VanDerWaalsContact CD-OE1 3.31Å; K31-E53 WeakPolarHBondContact CD-OE1 3.49Å; K31-E53 HydrophobicContact CG-CG 4.4Å; K31-E53 WeakPolarHBondContact CG-OE1 3.33Å; R51-E53 PolarHBondContact O-N 3.16Å
54Q98.6Very high98.2Very high106 Ų10636.3 Ų36.350%0.49519%0.187SC..EExtended strand (participates in β ladder)trans-135.3154.7-173.5-64.8-174.2-49.600112.8L24 R51L24-Q54 VanDerWaalsContact O-CA 3.28Å; L24-Q54 WeakPolarHBondContact O-CA 3.39Å; R51-Q54 PolarHBondContact N-O 2.67Å; R51-Q54 VanDerWaalsContact N-O 3.13Å; R51-Q54 PolarHBondContact O-N 2.98Å
55A98.6Very high98.1Very high15 Ų1533.3 Ų33.312%0.12418%0.184CC..EExtended strand (participates in β ladder)trans-127.7140.3170.600000110A23 L24 L26 L49 V50A23-A55 WeakPolarHBondContact CA-O 3.21Å; L24-A55 PolarHBondContact N-O 3.29Å; L24-A55 PolarHBondContact O-N 3.46Å; L26-A55 HydrophobicContact CD2-CB 3.89Å; L49-A55 CarbonylContact O-C 3.56Å; L49-A55 WeakPolarHBondContact O-CA 3.26Å; V50-A55 HydrophobicContact CG2-CB 4.23Å
56V98.6Very high97.9Very high6 Ų637.8 Ų37.84%0.03621%0.207CC..EExtended strand (participates in β ladder)trans-124123.3170.757.40000110P21 A23 C48 L49 M80 Y84P21-V56 WeakPolarHBondContact O-CG2 3.18Å; A23-V56 HydrophobicContact CB-CB 4.43Å; C48-V56 CarbonylContact C-O 3.55Å; C48-V56 WeakPolarHBondContact CA-O 3.35Å; L49-V56 HydrophobicContact CB-CG1 3.67Å; L49-V56 HydrophobicContact CD1-CG1 4.09Å; L49-V56 HydrophobicContact CG-CG1 4.04Å; L49-V56 PolarHBondContact N-O 3.45Å; L49-V56 PolarHBondContact O-N 2.97Å; V56-M80 HydrophobicContact CG1-CG 4.3Å; V56-M80 HydrophobicContact CG2-CG 4.43Å; V56-M80 HydrophobicContact CG2-SD 3.83Å; V56-Y84 HydrophobicContact CB-CE2 4.13Å; V56-Y84 HydrophobicContact CG1-CD2 3.97Å; V56-Y84 HydrophobicContact CG1-CE2 3.94Å; V56-Y84 HydrophobicContact CG1-CG 4.32Å; V56-Y84 HydrophobicContact CG2-CE2 3.76Å
57L98.7Very high97.5Very high50 Ų5043.8 Ų43.826%0.26224%0.238SC..EExtended strand (participates in β ladder)trans-90.9141.8176.6-72.8165.7000110.6L24 C48L24-L57 HydrophobicContact CD1-CD1 4.41Å; C48-L57 HydrophobicContact CB-CD2 3.69Å
58S98.7Very high97Very high1 Ų146.4 Ų46.41%0.00727%0.265CS..PPolyproline II helixtrans-64.7170.516775.80000111.5T46 F47T46-S58 VanDerWaalsContact CA-OG 3.27Å; T46-S58 WeakPolarHBondContact CA-OG 3.5Å; F47-S58 VanDerWaalsContact CZ-CB 3.42Å; F47-S58 PolarHBondContact N-OG 3.22Å; F47-S58 PolarHBondContact O-N 2.93Å
59Q98.4Very high96.8Very high26 Ų2646.4 Ų46.412%0.12126%0.264CS..PPolyproline II helixtrans-64.7163.6159.471.9-80.65.600111.6M1 V20 L61M1-Q59 HydrophobicContact CE-CB 3.85Å; M1-Q59 HydrophobicContact CE-CG 3.98Å; M1-Q59 HydrophobicContact SD-CB 3.33Å; M1-Q59 WeakPolarHBondContact SD-CB 3.5Å; M1-Q59 HydrophobicContact SD-CG 3.8Å; V20-Q59 HydrophobicContact CG1-CB 4.47Å; V20-Q59 HydrophobicContact CG2-CB 4.08Å; Q59-L61 HydrophobicContact CG-CD2 4.45Å; Q59-L61 PolarHBondContact O-N 2.93Å
60H98.2Very high96.6Very high26 Ų2649.6 Ų49.612%0.1228%0.279CS..PPolyproline II helixtrans-55.5128165.9-178.274000110.8D2 R14 S16 K44D2-H60 IonicContact OD2-CD2 3.21Å; R14-H60 HydrophobicContact CG-CB 3.73Å; R14-H60 PolarHBondContact NE-CD2 3.46Å; S16-H60 WeakPolarHBondContact OG-CB 3.23Å; S16-H60 PolarHBondContact OG-N 2.81Å; K44-H60 VanDerWaalsContact CA-CE1 3.47Å; K44-H60 WeakPolarHBondContact CA-CE1 3.45Å
61L97.7Very high96.4Very high8 Ų855.3 Ų55.34%0.04231%0.306CS..  trans-117.212.9-179.1-71.2162000112.3N45 F47 Q59 I69 W73 A76N45-L61 HydrophobicContact CB-CB 4.41Å; N45-L61 PolarHBondContact O-N 3.44Å; F47-L61 HydrophobicContact CD1-CD1 3.81Å; F47-L61 HydrophobicContact CE1-CD1 3.86Å; Q59-L61 HydrophobicContact CG-CD2 4.45Å; Q59-L61 PolarHBondContact O-N 2.93Å; L61-I69 WeakPolarHBondContact O-CD1 3.19Å; L61-I69 VanDerWaalsContact O-CG1 3.27Å; L61-I69 WeakPolarHBondContact O-CG1 3.39Å; L61-W73 HydrophobicContact CD1-CB 4.36Å; L61-W73 HydrophobicContact CD1-CG 4.01Å; L61-A76 HydrophobicContact CD2-CB 4.39Å
62G96Very high96.3Very high19 Ų1956.2 Ų56.220%0.19631%0.314CS..  trans72.7-142.8171.900000114.4K44 N45K44-G62 CarbonylContact C-O 3.55Å; K44-G62 VanDerWaalsContact CA-O 3.32Å; K44-G62 WeakPolarHBondContact CA-O 3.17Å; K44-G62 PolarHBondContact N-O 3.3Å; N45-G62 PolarHBondContact N-O 2.9Å
63D96.4Very high96.3Very high43 Ų4355.2 Ų55.223%0.2330%0.303CS..  trans-95.1123.2177.3-173.2-26.5000109.5D42 L43 S65 D66D42-D63 WeakPolarHBondContact O-CA 3.15Å; L43-D63 HydrophobicContact CD2-CB 4.12Å; L43-D63 WeakPolarHBondContact CD2-OD2 3.31Å; D63-S65 PolarHBondContact O-N 2.88Å; D63-S65 WeakPolarHBondContact OD1-CB 3.5Å; D63-S65 PolarHBondContact OD1-N 3.26Å; D63-S65 PolarHBondContact OD1-OG 3.36Å; D63-S65 PolarHBondContact OD2-OG 3.41Å; D63-D66 WeakPolarHBondContact O-CB 3Å; D63-D66 PolarHBondContact O-N 3.37Å; D63-D66 VanDerWaalsContact O-N 3.16Å
64L97.6Very high96.2Very high5 Ų555.5 Ų55.53%0.02630%0.3CS..THydrogen-bonded Turntrans-70.5-11.5-178.4-61.9-168.5000113.9D42 N45 I69 V100 W104D42-L64 HydrophobicContact CB-CB 4.37Å; D42-L64 PolarHBondContact O-N 3Å; N45-L64 HydrophobicContact CB-CD1 4.16Å; N45-L64 HydrophobicContact CB-CD2 3.57Å; N45-L64 HydrophobicContact CB-CG 3.72Å; L64-I69 WeakPolarHBondContact O-CG2 3.23Å; L64-V100 HydrophobicContact CB-CB 4.12Å; L64-V100 HydrophobicContact CB-CG1 4.15Å; L64-W104 HydrophobicContact CB-CH2 4.11Å; L64-W104 HydrophobicContact CB-CZ3 4.49Å; L64-W104 HydrophobicContact CD1-CE3 4.24Å; L64-W104 HydrophobicContact CD1-CH2 4.17Å; L64-W104 HydrophobicContact CD1-CZ3 3.72Å; L64-W104 HydrophobicContact CD2-CH2 3.83Å; L64-W104 HydrophobicContact CD2-CZ3 3.81Å; L64-W104 HydrophobicContact CG-CH2 4.25Å; L64-W104 HydrophobicContact CG-CZ3 4.21Å
65S93.9Very high96.2Very high77 Ų7755.2 Ų55.254%0.53830%0.299SS..THydrogen-bonded Turntrans-83.7-9.7173.370.90000113.8D63D63-S65 PolarHBondContact O-N 2.88Å; D63-S65 WeakPolarHBondContact OD1-CB 3.5Å; D63-S65 PolarHBondContact OD1-N 3.26Å; D63-S65 PolarHBondContact OD1-OG 3.36Å; D63-S65 PolarHBondContact OD2-OG 3.41Å
66D94.8Very high96.2Very high95 Ų9555 Ų5551%0.50830%0.297SS..SBendtrans-68.2141.5179-77.4-19.2000112.4D63 G68 I69D63-D66 WeakPolarHBondContact O-CB 3Å; D63-D66 PolarHBondContact O-N 3.37Å; D63-D66 VanDerWaalsContact O-N 3.16Å; D66-G68 PolarHBondContact O-N 3.33Å; D66-I69 HydrophobicContact CB-CB 4.3Å; D66-I69 WeakPolarHBondContact O-CB 3.45Å; D66-I69 WeakPolarHBondContact O-CG2 3.32Å; D66-I69 PolarHBondContact O-N 3.02Å
67D90.2Very high96.2Very high172 Ų17255.4 Ų55.492%0.9230%0.299SS*.THydrogen-bonded Turntrans-58.1125.3178.9-76.7-28.9000111.6I69D67-I69 VanDerWaalsContact C-N 3.28Å; D67-I69 PolarHBondContact O-N 3.46Å
68G87.8Confident96.2Very high56 Ų5659.9 Ų59.958%0.57731%0.312SS*.THydrogen-bonded Turntrans80.2-1.317600000115.5D66 Q70 M71D66-G68 PolarHBondContact O-N 3.33Å; G68-Q70 PolarHBondContact O-N 3.25Å; G68-M71 PolarHBondContact O-N 2.87Å
69I94.3Very high96.1Very high19 Ų1964.3 Ų64.310%0.09734%0.335CS..Hα-helixtrans-63.9-30.3-178.1-160.660000113L61 L64 D66 D67 M71 Q72 W73 W104L61-I69 WeakPolarHBondContact O-CD1 3.19Å; L61-I69 VanDerWaalsContact O-CG1 3.27Å; L61-I69 WeakPolarHBondContact O-CG1 3.39Å; L64-I69 WeakPolarHBondContact O-CG2 3.23Å; D66-I69 HydrophobicContact CB-CB 4.3Å; D66-I69 WeakPolarHBondContact O-CB 3.45Å; D66-I69 WeakPolarHBondContact O-CG2 3.32Å; D66-I69 PolarHBondContact O-N 3.02Å; D67-I69 VanDerWaalsContact C-N 3.28Å; D67-I69 PolarHBondContact O-N 3.46Å; I69-M71 PolarHBondContact O-N 3.14Å; I69-Q72 PolarHBondContact O-N 3.37Å; I69-Q72 VanDerWaalsContact O-N 3.15Å; I69-W73 WeakPolarHBondContact O-CB 3.47Å; I69-W73 PolarHBondContact O-N 3.04Å; I69-W104 HydrophobicContact CG2-CH2 4.34Å
70Q95.2Very high96.1Very high70 Ų7063.4 Ų63.433%0.32733%0.331SS..Hα-helixtrans-57.8-35.7178.6-167.5-177.342.400112.4G68 W73 R74 W104G68-Q70 PolarHBondContact O-N 3.25Å; Q70-W73 PolarHBondContact O-N 3.4Å; Q70-R74 HydrophobicContact CG-CG 4.37Å; Q70-R74 WeakPolarHBondContact O-CB 3.28Å; Q70-R74 VanDerWaalsContact O-CG 3.31Å; Q70-R74 WeakPolarHBondContact O-CG 3.39Å; Q70-R74 PolarHBondContact O-N 3.15Å; Q70-W104 HydrophobicContact CB-CH2 4.07Å; Q70-W104 HydrophobicContact CB-CZ2 3.66Å; Q70-W104 HydrophobicContact CG-CH2 4.12Å; Q70-W104 HydrophobicContact CG-CZ2 3.61Å; Q70-W104 VanDerWaalsContact NE2-NE1 3.19Å
71M95.4Very high96.1Very high141 Ų14164.6 Ų64.670%0.69534%0.337SS*.Hα-helixtrans-64.6-48.9178.4-173.6-173.6-6200110.6G68 I69 W73 R74 E75G68-M71 PolarHBondContact O-N 2.87Å; I69-M71 PolarHBondContact O-N 3.14Å; M71-W73 VanDerWaalsContact C-N 3.31Å; M71-W73 PolarHBondContact O-N 2.93Å; M71-R74 PolarHBondContact O-N 3.1Å; M71-E75 PolarHBondContact O-N 3.41Å
72Q96Very high96.2Very high124 Ų12469.9 Ų69.958%0.57937%0.365SS*.Hα-helixtrans-64.1-39.4178.8-61.1-174.231.200111.7I69 E75 A76I69-Q72 PolarHBondContact O-N 3.37Å; I69-Q72 VanDerWaalsContact O-N 3.15Å; Q72-E75 PolarHBondContact O-N 3.08Å; Q72-A76 WeakPolarHBondContact O-CB 3.48Å; Q72-A76 PolarHBondContact O-N 3.01Å
73W98.4Very high96.3Very high2 Ų273.3 Ų73.31%0.00838%0.378CS..Hα-helixtrans-61.2-47.4176.3-172.2101.8000111.9L39 N45 F47 L61 I69 Q70 M71 A76 L77 W104 M108L39-W73 HydrophobicContact CD2-CH2 3.74Å; L39-W73 HydrophobicContact CD2-CZ2 3.63Å; N45-W73 PolarHBondContact OD1-NE1 2.95Å; N45-W73 VanDerWaalsContact OD1-NE1 3.15Å; F47-W73 HydrophobicContact CB-CZ2 4.02Å; F47-W73 HydrophobicContact CD1-CD2 4.48Å; F47-W73 AromaticContact CD1-CE2 3.8Å; F47-W73 AromaticContact CD1-CZ2 3.99Å; F47-W73 HydrophobicContact CD1-CZ2 3.99Å; F47-W73 AromaticContact CD1-NE1 3.74Å; F47-W73 HydrophobicContact CG-CZ2 4.27Å; L61-W73 HydrophobicContact CD1-CB 4.36Å; L61-W73 HydrophobicContact CD1-CG 4.01Å; I69-W73 WeakPolarHBondContact O-CB 3.47Å; I69-W73 PolarHBondContact O-N 3.04Å; Q70-W73 PolarHBondContact O-N 3.4Å; M71-W73 VanDerWaalsContact C-N 3.31Å; M71-W73 PolarHBondContact O-N 2.93Å; W73-A76 PolarHBondContact O-N 3.34Å; W73-L77 HydrophobicContact CH2-CB 4.5Å; W73-L77 HydrophobicContact CH2-CD2 3.52Å; W73-L77 HydrophobicContact CZ3-CB 4.24Å; W73-L77 HydrophobicContact CZ3-CD2 3.53Å; W73-L77 PolarHBondContact O-N 3.3Å; W73-W104 HydrophobicContact CB-CH2 4.37Å; W73-W104 HydrophobicContact CB-CZ3 4.12Å; W73-W104 AromaticContact CD1-CZ3 3.71Å; W73-W104 HydrophobicContact CD2-CE3 4.01Å; W73-W104 AromaticContact CD2-CZ3 3.67Å; W73-W104 HydrophobicContact CD2-CZ3 3.67Å; W73-W104 AromaticContact CE2-CZ3 3.98Å; W73-W104 HydrophobicContact CE3-CE3 4.2Å; W73-W104 HydrophobicContact CE3-CZ3 4.2Å; W73-W104 HydrophobicContact CG-CE3 4.39Å; W73-W104 HydrophobicContact CG-CH2 4.29Å; W73-W104 AromaticContact CG-CZ3 3.58Å; W73-W104 HydrophobicContact CG-CZ3 3.58Å; W73-W104 AromaticContact NE1-CZ3 3.96Å; W73-M108 HydrophobicContact CH2-CE 3.68Å; W73-M108 HydrophobicContact CZ3-CE 4.05Å
74R97.6Very high96.4Very high105 Ų10574.1 Ų74.140%0.39638%0.378SS..Hα-helixtrans-65.8-39.9179.2-74.4-177-173.9-79.90.4112.1Q70 M71 A76 L77 R78 E107Q70-R74 HydrophobicContact CG-CG 4.37Å; Q70-R74 WeakPolarHBondContact O-CB 3.28Å; Q70-R74 VanDerWaalsContact O-CG 3.31Å; Q70-R74 WeakPolarHBondContact O-CG 3.39Å; Q70-R74 PolarHBondContact O-N 3.15Å; M71-R74 PolarHBondContact O-N 3.1Å; R74-A76 VanDerWaalsContact C-N 3.35Å; R74-L77 PolarHBondContact O-N 3.09Å; R74-R78 WeakPolarHBondContact O-CB 3.25Å; R74-R78 PolarHBondContact O-N 3.42Å; R74-E107 IonicContact NH2-OE2 3.87Å
75E97.6Very high96.4Very high100 Ų10080.2 Ų80.247%0.46741%0.411SS..Hα-helixtrans-64.1-41.8177.1-112.948.7-150.400111.8M71 Q72 R78 L79M71-E75 PolarHBondContact O-N 3.41Å; Q72-E75 PolarHBondContact O-N 3.08Å; E75-R78 PolarHBondContact O-N 3.35Å; E75-R78 IonicContact OE1-NE 3.43Å; E75-L79 WeakPolarHBondContact O-CB 3.36Å; E75-L79 PolarHBondContact O-N 3.29Å
76A97.9Very high96.6Very high9 Ų977 Ų777%0.07439%0.387CS..Hα-helixtrans-62.3-46.9174.900000111.4F47 L61 Q72 W73 R74 L79 M80F47-A76 HydrophobicContact CE1-CB 3.87Å; F47-A76 HydrophobicContact CZ-CB 4.17Å; L61-A76 HydrophobicContact CD2-CB 4.39Å; Q72-A76 WeakPolarHBondContact O-CB 3.48Å; Q72-A76 PolarHBondContact O-N 3.01Å; W73-A76 PolarHBondContact O-N 3.34Å; R74-A76 VanDerWaalsContact C-N 3.35Å; A76-L79 PolarHBondContact O-N 2.87Å; A76-M80 WeakPolarHBondContact O-CB 3.38Å; A76-M80 PolarHBondContact O-N 3.14Å
77L98.6Very high96.8Very high16 Ų1677.5 Ų77.58%0.08439%0.394CS..Hα-helixtrans-61.2-46.8177.1179.262.2000111.5L37 F47 L49 W73 R74 L79 M80 Q81L37-L77 HydrophobicContact CD1-CD1 3.81Å; L37-L77 HydrophobicContact CD2-CD1 4.32Å; L37-L77 HydrophobicContact CD2-CD2 3.92Å; F47-L77 HydrophobicContact CD2-CD1 4.05Å; F47-L77 HydrophobicContact CE1-CB 4.01Å; F47-L77 HydrophobicContact CE2-CD1 3.84Å; F47-L77 VanDerWaalsContact CZ-CA 3.43Å; F47-L77 HydrophobicContact CZ-CB 4Å; F47-L77 HydrophobicContact CZ-CD1 4.17Å; L49-L77 HydrophobicContact CD2-CD1 3.8Å; W73-L77 HydrophobicContact CH2-CB 4.5Å; W73-L77 HydrophobicContact CH2-CD2 3.52Å; W73-L77 HydrophobicContact CZ3-CB 4.24Å; W73-L77 HydrophobicContact CZ3-CD2 3.53Å; W73-L77 PolarHBondContact O-N 3.3Å; R74-L77 PolarHBondContact O-N 3.09Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-L79 PolarHBondContact O-N 2.81Å; L77-M80 PolarHBondContact O-N 3.09Å; L77-Q81 HydrophobicContact CD1-CG 3.96Å; L77-Q81 HydrophobicContact CG-CG 4.29Å; L77-Q81 WeakPolarHBondContact O-CB 3.45Å; L77-Q81 WeakPolarHBondContact O-CG 3.38Å; L77-Q81 PolarHBondContact O-N 3.32Å
78R98.5Very high97.2Very high143 Ų14370.1 Ų70.154%0.5436%0.356SS..Hα-helixtrans-58.1-45.9179-172.7-169.26871.61111.5R74 E75 N82R74-R78 WeakPolarHBondContact O-CB 3.25Å; R74-R78 PolarHBondContact O-N 3.42Å; E75-R78 PolarHBondContact O-N 3.35Å; E75-R78 IonicContact OE1-NE 3.43Å; R78-N82 WeakPolarHBondContact O-CB 3.29Å; R78-N82 PolarHBondContact O-N 3.16Å; R78-N82 VanDerWaalsContact O-N 3.12Å
79L98.2Very high97.7Very high94 Ų9472.4 Ų72.449%0.49235%0.351SS..Hα-helixtrans-64.6-45.7178.2179.861.9000111.1E75 A76 L77 Q81 N82 I83E75-L79 WeakPolarHBondContact O-CB 3.36Å; E75-L79 PolarHBondContact O-N 3.29Å; A76-L79 PolarHBondContact O-N 2.87Å; L77-L79 VanDerWaalsContact C-N 3.34Å; L77-L79 PolarHBondContact O-N 2.81Å; L79-Q81 PolarHBondContact O-N 2.98Å; L79-N82 WeakPolarHBondContact O-CB 3.31Å; L79-N82 PolarHBondContact O-N 2.88Å; L79-I83 HydrophobicContact CD1-CD1 4.05Å; L79-I83 HydrophobicContact CD1-CG1 4.3Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 WeakPolarHBondContact O-CG1 3.21Å; L79-I83 PolarHBondContact O-N 2.86Å
80M98.4Very high98Very high7 Ų776.5 Ų76.53%0.03437%0.366CS..Hα-helixtrans-64.4-41.8-179-157.166.669.700112V20 P21 F47 L49 V56 A76 L77 N82 I83 Y84V20-M80 HydrophobicContact CG1-CE 3.75Å; P21-M80 HydrophobicContact CB-CE 3.86Å; P21-M80 HydrophobicContact CB-SD 3.55Å; P21-M80 VanDerWaalsContact CB-SD 3.55Å; F47-M80 HydrophobicContact CE2-CB 4.09Å; F47-M80 HydrophobicContact CE2-CG 4.26Å; F47-M80 HydrophobicContact CZ-CB 4.19Å; L49-M80 HydrophobicContact CD1-CB 3.96Å; L49-M80 HydrophobicContact CD1-CG 3.55Å; L49-M80 HydrophobicContact CG-CG 4.29Å; V56-M80 HydrophobicContact CG1-CG 4.3Å; V56-M80 HydrophobicContact CG2-CG 4.43Å; V56-M80 HydrophobicContact CG2-SD 3.83Å; A76-M80 WeakPolarHBondContact O-CB 3.38Å; A76-M80 PolarHBondContact O-N 3.14Å; L77-M80 PolarHBondContact O-N 3.09Å; M80-N82 VanDerWaalsContact C-N 3.3Å; M80-N82 PolarHBondContact O-N 3.02Å; M80-I83 PolarHBondContact O-N 2.98Å; M80-Y84 HydrophobicContact CG-CD2 4.2Å; M80-Y84 WeakPolarHBondContact O-CD2 3.41Å; M80-Y84 PolarHBondContact O-N 2.69Å; M80-Y84 VanDerWaalsContact O-N 3.12Å; M80-Y84 HydrophobicContact SD-CD2 4.04Å; M80-Y84 HydrophobicContact SD-CE2 3.82Å
81Q98.6Very high98.1Very high51 Ų5173.2 Ų73.224%0.23835%0.351CS..Hα-helixtrans-61.3-38.9174.5-76.1-179.4-24.900112.2L49 L77 L79 D85 F86 P88L49-Q81 HydrophobicContact CD1-CG 4.42Å; L77-Q81 HydrophobicContact CD1-CG 3.96Å; L77-Q81 HydrophobicContact CG-CG 4.29Å; L77-Q81 WeakPolarHBondContact O-CB 3.45Å; L77-Q81 WeakPolarHBondContact O-CG 3.38Å; L77-Q81 PolarHBondContact O-N 3.32Å; L79-Q81 PolarHBondContact O-N 2.98Å; Q81-D85 WeakPolarHBondContact O-CA 3.36Å; Q81-D85 PolarHBondContact O-N 3.07Å; Q81-D85 VanDerWaalsContact O-N 3.08Å; Q81-F86 WeakPolarHBondContact CB-O 3.42Å; Q81-F86 HydrophobicContact CG-CD1 4.23Å; Q81-F86 WeakPolarHBondContact CG-O 3.31Å; Q81-F86 PolarHBondContact O-N 3.27Å; Q81-P88 VanDerWaalsContact NE2-CD 3.32Å
82N98.4Very high98.3Very high120 Ų12067.3 Ų67.364%0.64232%0.323SS*.Hα-helixtrans-67.1-47.6177-171-76.9000111.9R78 L79 M80 Y84 D85R78-N82 WeakPolarHBondContact O-CB 3.29Å; R78-N82 PolarHBondContact O-N 3.16Å; R78-N82 VanDerWaalsContact O-N 3.12Å; L79-N82 WeakPolarHBondContact O-CB 3.31Å; L79-N82 PolarHBondContact O-N 2.88Å; M80-N82 VanDerWaalsContact C-N 3.3Å; M80-N82 PolarHBondContact O-N 3.02Å; N82-Y84 VanDerWaalsContact C-N 3.29Å; N82-Y84 PolarHBondContact O-N 2.95Å; N82-D85 PolarHBondContact O-N 2.98Å
83I98.2Very high98.4Very high91 Ų9162.4 Ų62.447%0.46730%0.299SS..Hα-helixtrans-58.5-42.4-179.4-69.9167.8000111.3L79 M80L79-I83 HydrophobicContact CD1-CD1 4.05Å; L79-I83 HydrophobicContact CD1-CG1 4.3Å; L79-I83 HydrophobicContact CG-CD1 3.87Å; L79-I83 WeakPolarHBondContact O-CG1 3.21Å; L79-I83 PolarHBondContact O-N 2.86Å; M80-I83 PolarHBondContact O-N 2.98Å
84Y98.2Very high98.4Very high60 Ų6062.8 Ų62.824%0.23530%0.302CS..THydrogen-bonded Turntrans-94.35.4-176.2-76.1-84000114.2P21 A23 R51 V56 M80 N82 F86P21-Y84 HydrophobicContact CB-CE2 4.37Å; P21-Y84 PolarHBondContact O-OH 2.96Å; A23-Y84 HydrophobicContact CB-CE1 4.21Å; R51-Y84 PolarHBondContact NH2-O 3.34Å; V56-Y84 HydrophobicContact CB-CE2 4.13Å; V56-Y84 HydrophobicContact CG1-CD2 3.97Å; V56-Y84 HydrophobicContact CG1-CE2 3.94Å; V56-Y84 HydrophobicContact CG1-CG 4.32Å; V56-Y84 HydrophobicContact CG2-CE2 3.76Å; M80-Y84 HydrophobicContact CG-CD2 4.2Å; M80-Y84 WeakPolarHBondContact O-CD2 3.41Å; M80-Y84 PolarHBondContact O-N 2.69Å; M80-Y84 VanDerWaalsContact O-N 3.12Å; M80-Y84 HydrophobicContact SD-CD2 4.04Å; M80-Y84 HydrophobicContact SD-CE2 3.82Å; N82-Y84 VanDerWaalsContact C-N 3.29Å; N82-Y84 PolarHBondContact O-N 2.95Å; Y84-F86 PolarHBondContact O-N 3.09Å
85D98.3Very high98.5Very high132 Ų13259 Ų5971%0.70629%0.293SS*.THydrogen-bonded Turntrans44.153.5-171.1-17332.5000111.3R51 Q81 N82R51-D85 PolarHBondContact NH1-O 2.77Å; Q81-D85 WeakPolarHBondContact O-CA 3.36Å; Q81-D85 PolarHBondContact O-N 3.07Å; Q81-D85 VanDerWaalsContact O-N 3.08Å; N82-D85 PolarHBondContact O-N 2.98Å
86F98.7Very high98.4Very high9 Ų956.3 Ų56.34%0.03928%0.28CS..  trans-112.6120.7-166.2-176.2-78.7000111.1P35 V36 L49 V50 R51 Q81 Y84 P88P35-F86 HydrophobicContact CB-CD2 4.4Å; P35-F86 HydrophobicContact CB-CE1 4.24Å; P35-F86 HydrophobicContact CB-CE2 3.82Å; P35-F86 HydrophobicContact CB-CZ 3.72Å; V36-F86 WeakPolarHBondContact O-CZ 3.43Å; L49-F86 HydrophobicContact CB-CD1 4.36Å; L49-F86 HydrophobicContact CB-CD2 4.07Å; L49-F86 HydrophobicContact CB-CE1 4.14Å; L49-F86 HydrophobicContact CB-CE2 3.81Å; L49-F86 HydrophobicContact CB-CG 4.34Å; L49-F86 HydrophobicContact CB-CZ 3.86Å; L49-F86 HydrophobicContact CD1-CB 4.3Å; L49-F86 HydrophobicContact CD1-CD1 4.08Å; L49-F86 HydrophobicContact CD1-CG 4.07Å; L49-F86 HydrophobicContact CD2-CD1 4.15Å; L49-F86 HydrophobicContact CD2-CE1 3.91Å; L49-F86 HydrophobicContact CD2-CZ 4.38Å; L49-F86 HydrophobicContact CG-CD1 4.44Å; L49-F86 HydrophobicContact CG-CE1 4.43Å; V50-F86 WeakPolarHBondContact O-CE2 3.49Å; R51-F86 HydrophobicContact CB-CD2 4.14Å; R51-F86 HydrophobicContact CB-CE2 3.8Å; Q81-F86 WeakPolarHBondContact CB-O 3.42Å; Q81-F86 HydrophobicContact CG-CD1 4.23Å; Q81-F86 WeakPolarHBondContact CG-O 3.31Å; Q81-F86 PolarHBondContact O-N 3.27Å; Y84-F86 PolarHBondContact O-N 3.09Å; F86-P88 HydrophobicContact CE1-CB 3.85Å; F86-P88 HydrophobicContact CE1-CG 4.31Å
87T98.6Very high98.3Very high107 Ų10760.3 Ų60.366%0.65631%0.306SS*.  trans-118.2112.9170.6-58.60000108.7P35P35-T87 WeakPolarHBondContact CB-O 3.35Å
88P98.6Very high98.2Very high17 Ų1762.4 Ų62.411%0.1133%0.331CS..  trans-63.3140.3-179.222.4-29.3000111.5L37 Q81 F86 L110L37-P88 HydrophobicContact CB-CB 3.82Å; L37-P88 HydrophobicContact CB-CG 4.33Å; Q81-P88 VanDerWaalsContact NE2-CD 3.32Å; F86-P88 HydrophobicContact CE1-CB 3.85Å; F86-P88 HydrophobicContact CE1-CG 4.31Å; P88-L110 HydrophobicContact CB-CD1 3.89Å; P88-L110 HydrophobicContact CG-CD1 3.82Å; P88-L110 WeakPolarHBondContact O-CD1 3.5Å
89Q98.7Very high98.2Very high104 Ų10457.1 Ų57.149%0.48631%0.311SS..SBendtrans-103.9-21.5170-66.4179.4-2.700111.6P35 P111P35-Q89 HydrophobicContact CB-CG 4.44Å; P35-Q89 HydrophobicContact CG-CG 4.12Å; P35-Q89 PolarHBondContact O-N 3.22Å; Q89-P111 WeakPolarHBondContact O-CD 3.34Å
90Y98.8Very high98.1Very high105 Ų10554.2 Ų54.241%0.41230%0.297SS..EExtended strand (participates in β ladder)trans-137.6150.9178.9-56.5-86.1000110.4P34 P35 V36 L37 P111P34-Y90 HydrophobicContact CB-CD2 4.14Å; P34-Y90 HydrophobicContact CB-CE2 3.83Å; P34-Y90 HydrophobicContact CG-CD2 4.01Å; P34-Y90 HydrophobicContact CG-CE2 3.79Å; P35-Y90 PolarHBondContact O-N 3.26Å; V36-Y90 HydrophobicContact CG2-CD2 4.36Å; L37-Y90 PolarHBondContact N-O 3.11Å; Y90-P111 HydrophobicContact CD1-CB 3.98Å; Y90-P111 HydrophobicContact CD1-CG 4.41Å; Y90-P111 HydrophobicContact CE1-CB 4.34Å; Y90-P111 HydrophobicContact CE1-CG 4.5Å
91V98.8Very high98.1Very high0 Ų053.9 Ų53.90%030%0.295CS..EExtended strand (participates in β ladder)trans-121.2132.9173.3179.20000110.2L37 L39 A105 M108 L110 P111 T112 Q113L37-V91 HydrophobicContact CB-CG2 4.47Å; L37-V91 CarbonylContact O-C 3.49Å; L37-V91 VanDerWaalsContact O-CA 3.26Å; L37-V91 WeakPolarHBondContact O-CA 3.49Å; L39-V91 HydrophobicContact CD1-CG1 3.99Å; L39-V91 HydrophobicContact CD2-CG1 4.28Å; L39-V91 HydrophobicContact CG-CG1 3.91Å; V91-A105 HydrophobicContact CG1-CB 3.85Å; V91-M108 HydrophobicContact CG1-SD 4.23Å; V91-M108 HydrophobicContact CG2-CB 4.32Å; V91-M108 HydrophobicContact CG2-SD 3.88Å; V91-L110 HydrophobicContact CG2-CB 3.98Å; V91-L110 HydrophobicContact CG2-CD1 3.79Å; V91-P111 PolarHBondContact N-O 3.35Å; V91-T112 HydrophobicContact CB-CG2 4.29Å; V91-T112 CarbonylContact O-C 3.51Å; V91-T112 VanDerWaalsContact O-CA 3.29Å; V91-T112 WeakPolarHBondContact O-CA 3.29Å; V91-Q113 PolarHBondContact O-N 3.49Å
92V98.9Very high98Very high18 Ų1851.6 Ų51.611%0.10929%0.285CS..EExtended strand (participates in β ladder)trans-114.4134.6175-174.80000109.1V36 L37 C38 L39 Q113 V115V36-V92 HydrophobicContact CG1-CG2 3.47Å; V36-V92 VanDerWaalsContact CG1-CG2 3.47Å; L37-V92 PolarHBondContact O-N 2.96Å; C38-V92 CarbonylContact C-O 3.53Å; C38-V92 WeakPolarHBondContact CA-O 3.31Å; C38-V92 HydrophobicContact CB-CB 4.29Å; L39-V92 PolarHBondContact N-O 3.22Å; V92-Q113 WeakPolarHBondContact CA-O 3.49Å; V92-Q113 HydrophobicContact CB-CG 4.32Å; V92-Q113 HydrophobicContact CG1-CG 4.3Å; V92-Q113 HydrophobicContact CG2-CG 3.65Å; V92-Q113 VanDerWaalsContact CG2-NE2 3.27Å; V92-V115 HydrophobicContact CG1-CB 4.43Å; V92-V115 HydrophobicContact CG1-CG2 3.65Å
93H98.7Very high97.9Very high20 Ų2050.5 Ų50.59%0.09328%0.276CS..EExtended strand (participates in β ladder)trans-142169.6175.562.290.8000111.1L39 S102 A105 Q113 T114 V115L39-H93 HydrophobicContact CB-CB 4.37Å; L39-H93 HydrophobicContact CD1-CB 4.28Å; L39-H93 HydrophobicContact CG-CB 4.49Å; H93-S102 PolarHBondContact ND1-OG 2.96Å; H93-S102 VanDerWaalsContact ND1-OG 3.07Å; H93-A105 HydrophobicContact CB-CB 4.09Å; H93-A105 WeakPolarHBondContact CD2-CB 3.46Å; H93-Q113 PolarHBondContact N-O 2.93Å; H93-Q113 VanDerWaalsContact N-O 3.13Å; H93-T114 WeakPolarHBondContact CE1-CG2 3.49Å; H93-T114 VanDerWaalsContact O-CA 3.31Å; H93-T114 WeakPolarHBondContact O-CA 3.32Å; H93-V115 PolarHBondContact O-N 2.73Å; H93-V115 VanDerWaalsContact O-N 3.12Å
94D98.6Very high97.9Very high11 Ų1146.8 Ų46.86%0.05926%0.256CS..EExtended strand (participates in β ladder)trans-60.3148.6177-160.2-74.8000111.5H96 Y99 S102 H117D94-H96 PolarHBondContact O-N 3.18Å; D94-H96 WeakPolarHBondContact OD1-CB 3.43Å; D94-H96 PolarHBondContact OD1-N 3.34Å; D94-Y99 HydrophobicContact CB-CD2 3.58Å; D94-Y99 HydrophobicContact CB-CE2 3.73Å; D94-S102 PolarHBondContact O-OG 2.63Å; D94-S102 VanDerWaalsContact O-OG 3.13Å; D94-H117 WeakPolarHBondContact OD2-CB 3.33Å; D94-H117 IonicContact OD2-CE1 3.66Å; D94-H117 IonicContact OD2-CG 3.62Å; D94-H117 IonicContact OD2-ND1 3.81Å; D94-H117 PolarHBondContact OD2-ND1 3.43Å
95A98.2Very high97.9Very high25 Ų2544 Ų4421%0.20725%0.245CC..SBendtrans-65-16.217400000113.4P97 V115 L116A95-P97 VanDerWaalsContact O-CD 3.27Å; A95-P97 WeakPolarHBondContact O-CD 3.35Å; A95-V115 PolarHBondContact N-O 2.83Å; A95-L116 HydrophobicContact CB-CD2 3.95Å
96H97.3Very high97.7Very high44 Ų4445.4 Ų45.420%0.20424%0.24CC..  trans-64.9113.5177.2-164.6-69.1000111.4D94 G98 Y99 S102 M148D94-H96 PolarHBondContact O-N 3.18Å; D94-H96 WeakPolarHBondContact OD1-CB 3.43Å; D94-H96 PolarHBondContact OD1-N 3.34Å; H96-G98 VanDerWaalsContact C-N 3.28Å; H96-G98 WeakPolarHBondContact ND1-CA 3.42Å; H96-G98 PolarHBondContact ND1-N 3.43Å; H96-G98 PolarHBondContact O-N 3.45Å; H96-Y99 HydrophobicContact CB-CD1 3.7Å; H96-Y99 HydrophobicContact CB-CD2 3.96Å; H96-Y99 HydrophobicContact CB-CE1 3.8Å; H96-Y99 HydrophobicContact CB-CE2 4.04Å; H96-Y99 HydrophobicContact CB-CG 3.77Å; H96-Y99 AromaticContact CD2-CE1 3.79Å; H96-Y99 AromaticContact CG-CD1 3.47Å; H96-Y99 VanDerWaalsContact CG-CD1 3.47Å; H96-Y99 AromaticContact CG-CE1 3.53Å; H96-Y99 AromaticContact ND1-CD1 3.37Å; H96-Y99 WeakPolarHBondContact ND1-CD1 3.14Å; H96-Y99 AromaticContact ND1-CE1 3.82Å; H96-Y99 PolarHBondContact ND1-N 2.87Å; H96-Y99 PolarHBondContact O-N 2.93Å; H96-S102 WeakPolarHBondContact O-CB 3.22Å; H96-S102 PolarHBondContact O-OG 3.27Å; H96-M148 HydrophobicContact CB-CB 3.78Å
97P95.9Very high97.6Very high93 Ų9349.9 Ų49.960%0.60426%0.262SS*.THydrogen-bonded Turntrans-73.3-22.3-17429.8-35.1000113.1A95A95-P97 VanDerWaalsContact O-CD 3.27Å; A95-P97 WeakPolarHBondContact O-CD 3.35Å
98G95.7Very high97.5Very high59 Ų5946.9 Ų46.961%0.60824%0.241SC*.THydrogen-bonded Turntrans-86.40.5178.900000115H96H96-G98 VanDerWaalsContact C-N 3.28Å; H96-G98 WeakPolarHBondContact ND1-CA 3.42Å; H96-G98 PolarHBondContact ND1-N 3.43Å; H96-G98 PolarHBondContact O-N 3.45Å
99Y97.3Very high97.4Very high33 Ų3353.7 Ų53.713%0.12928%0.276CS..  trans-72.7143.3178-85.19.6000111.9A41 D42 D94 H96 S101 S102 Q103A41-Y99 HydrophobicContact CB-CE2 3.93Å; D42-Y99 HydrophobicContact CB-CD1 4.29Å; D42-Y99 HydrophobicContact CB-CD2 4.3Å; D42-Y99 HydrophobicContact CB-CG 4.19Å; D42-Y99 WeakPolarHBondContact OD1-CB 3.49Å; D42-Y99 WeakPolarHBondContact OD2-CA 3.42Å; D42-Y99 WeakPolarHBondContact OD2-CB 3.45Å; D94-Y99 HydrophobicContact CB-CD2 3.58Å; D94-Y99 HydrophobicContact CB-CE2 3.73Å; H96-Y99 HydrophobicContact CB-CD1 3.7Å; H96-Y99 HydrophobicContact CB-CD2 3.96Å; H96-Y99 HydrophobicContact CB-CE1 3.8Å; H96-Y99 HydrophobicContact CB-CE2 4.04Å; H96-Y99 HydrophobicContact CB-CG 3.77Å; H96-Y99 AromaticContact CD2-CE1 3.79Å; H96-Y99 AromaticContact CG-CD1 3.47Å; H96-Y99 VanDerWaalsContact CG-CD1 3.47Å; H96-Y99 AromaticContact CG-CE1 3.53Å; H96-Y99 AromaticContact ND1-CD1 3.37Å; H96-Y99 WeakPolarHBondContact ND1-CD1 3.14Å; H96-Y99 AromaticContact ND1-CE1 3.82Å; H96-Y99 PolarHBondContact ND1-N 2.87Å; H96-Y99 PolarHBondContact O-N 2.93Å; Y99-S101 VanDerWaalsContact C-N 3.31Å; Y99-S102 WeakPolarHBondContact O-CB 3.14Å; Y99-S102 PolarHBondContact O-N 3.49Å; Y99-Q103 PolarHBondContact O-N 2.89Å
100V97.5Very high97.4Very high33 Ų3351.3 Ų51.320%0.227%0.266CS..Hα-helixtrans-59.7-43.5170.8176.30000109.9D42 L64 S102 Q103 W104D42-V100 PolarHBondContact OD1-N 3.15Å; D42-V100 PolarHBondContact OD2-N 3.17Å; L64-V100 HydrophobicContact CB-CB 4.12Å; L64-V100 HydrophobicContact CB-CG1 4.15Å; V100-S102 VanDerWaalsContact C-N 3.33Å; V100-S102 PolarHBondContact O-N 3.39Å; V100-Q103 WeakPolarHBondContact O-CA 3.43Å; V100-Q103 WeakPolarHBondContact O-CB 3.48Å; V100-Q103 PolarHBondContact O-N 2.95Å; V100-Q103 VanDerWaalsContact O-N 3.08Å; V100-W104 HydrophobicContact CG1-CD2 4.03Å; V100-W104 HydrophobicContact CG1-CH2 4.14Å; V100-W104 HydrophobicContact CG1-CZ2 3.35Å; V100-W104 VanDerWaalsContact CG1-NE1 3.34Å; V100-W104 PolarHBondContact O-N 3.45Å
101S97.8Very high97.3Very high0 Ų050.1 Ų50.10%027%0.272CS..Hα-helixtrans-56.7-44.2172.848.70000112.4L39 D42 Y99 Q103 W104 A105L39-S101 WeakPolarHBondContact CD1-O 3.3Å; D42-S101 WeakPolarHBondContact OD1-CB 3.21Å; D42-S101 PolarHBondContact OD1-N 2.96Å; D42-S101 PolarHBondContact OD1-OG 3.26Å; Y99-S101 VanDerWaalsContact C-N 3.31Å; S101-Q103 VanDerWaalsContact C-N 3.31Å; S101-Q103 PolarHBondContact O-N 2.96Å; S101-W104 PolarHBondContact O-N 2.98Å; S101-A105 PolarHBondContact O-N 3.15Å
102S97.2Very high97.3Very high2 Ų253.4 Ų53.41%0.01429%0.292CS..Hα-helixtrans-65.1-31.1175-64.20000113H93 D94 H96 Y99 V100 R106H93-S102 PolarHBondContact ND1-OG 2.96Å; H93-S102 VanDerWaalsContact ND1-OG 3.07Å; D94-S102 PolarHBondContact O-OG 2.63Å; D94-S102 VanDerWaalsContact O-OG 3.13Å; H96-S102 WeakPolarHBondContact O-CB 3.22Å; H96-S102 PolarHBondContact O-OG 3.27Å; Y99-S102 WeakPolarHBondContact O-CB 3.14Å; Y99-S102 PolarHBondContact O-N 3.49Å; V100-S102 VanDerWaalsContact C-N 3.33Å; V100-S102 PolarHBondContact O-N 3.39Å; S102-R106 PolarHBondContact O-NE 2.92Å
103Q96.8Very high97.3Very high97 Ų9757.7 Ų57.745%0.45331%0.311SS..Hα-helixtrans-67-49.3169.1-177.9-178.5-11.200111.1Y99 V100 S101 A105 R106 E107Y99-Q103 PolarHBondContact O-N 2.89Å; V100-Q103 WeakPolarHBondContact O-CA 3.43Å; V100-Q103 WeakPolarHBondContact O-CB 3.48Å; V100-Q103 PolarHBondContact O-N 2.95Å; V100-Q103 VanDerWaalsContact O-N 3.08Å; S101-Q103 VanDerWaalsContact C-N 3.31Å; S101-Q103 PolarHBondContact O-N 2.96Å; Q103-A105 VanDerWaalsContact C-N 3.29Å; Q103-A105 PolarHBondContact O-N 3.49Å; Q103-R106 WeakPolarHBondContact O-CB 3.27Å; Q103-R106 PolarHBondContact O-N 2.96Å; Q103-R106 VanDerWaalsContact O-N 3.11Å; Q103-E107 PolarHBondContact NE2-OE1 2.84Å; Q103-E107 PolarHBondContact O-N 3.35Å
104W97.2Very high97.3Very high14 Ų1460.7 Ų60.75%0.05333%0.33CS..Hα-helixtrans-60.5-36.9-179.8-63.4-7.6000112.5L64 I69 Q70 W73 V100 S101 R106 E107 M108L64-W104 HydrophobicContact CB-CH2 4.11Å; L64-W104 HydrophobicContact CB-CZ3 4.49Å; L64-W104 HydrophobicContact CD1-CE3 4.24Å; L64-W104 HydrophobicContact CD1-CH2 4.17Å; L64-W104 HydrophobicContact CD1-CZ3 3.72Å; L64-W104 HydrophobicContact CD2-CH2 3.83Å; L64-W104 HydrophobicContact CD2-CZ3 3.81Å; L64-W104 HydrophobicContact CG-CH2 4.25Å; L64-W104 HydrophobicContact CG-CZ3 4.21Å; I69-W104 HydrophobicContact CG2-CH2 4.34Å; Q70-W104 HydrophobicContact CB-CH2 4.07Å; Q70-W104 HydrophobicContact CB-CZ2 3.66Å; Q70-W104 HydrophobicContact CG-CH2 4.12Å; Q70-W104 HydrophobicContact CG-CZ2 3.61Å; Q70-W104 VanDerWaalsContact NE2-NE1 3.19Å; W73-W104 HydrophobicContact CB-CH2 4.37Å; W73-W104 HydrophobicContact CB-CZ3 4.12Å; W73-W104 AromaticContact CD1-CZ3 3.71Å; W73-W104 HydrophobicContact CD2-CE3 4.01Å; W73-W104 AromaticContact CD2-CZ3 3.67Å; W73-W104 HydrophobicContact CD2-CZ3 3.67Å; W73-W104 AromaticContact CE2-CZ3 3.98Å; W73-W104 HydrophobicContact CE3-CE3 4.2Å; W73-W104 HydrophobicContact CE3-CZ3 4.2Å; W73-W104 HydrophobicContact CG-CE3 4.39Å; W73-W104 HydrophobicContact CG-CH2 4.29Å; W73-W104 AromaticContact CG-CZ3 3.58Å; W73-W104 HydrophobicContact CG-CZ3 3.58Å; W73-W104 AromaticContact NE1-CZ3 3.96Å; V100-W104 HydrophobicContact CG1-CD2 4.03Å; V100-W104 HydrophobicContact CG1-CH2 4.14Å; V100-W104 HydrophobicContact CG1-CZ2 3.35Å; V100-W104 VanDerWaalsContact CG1-NE1 3.34Å; V100-W104 PolarHBondContact O-N 3.45Å; S101-W104 PolarHBondContact O-N 2.98Å; W104-R106 VanDerWaalsContact C-N 3.3Å; W104-R106 PolarHBondContact O-N 2.78Å; W104-E107 PolarHBondContact O-N 3.05Å; W104-M108 HydrophobicContact CB-CE 4.47Å; W104-M108 WeakPolarHBondContact O-CG 3.27Å
105A97.9Very high97.3Very high0 Ų062.3 Ų62.30%034%0.341CS..Hα-helixtrans-56-44.1174.500000112.6L39 V91 H93 S101 Q103 E107 M108 T112L39-A105 HydrophobicContact CD1-CB 3.59Å; V91-A105 HydrophobicContact CG1-CB 3.85Å; H93-A105 HydrophobicContact CB-CB 4.09Å; H93-A105 WeakPolarHBondContact CD2-CB 3.46Å; S101-A105 PolarHBondContact O-N 3.15Å; Q103-A105 VanDerWaalsContact C-N 3.29Å; Q103-A105 PolarHBondContact O-N 3.49Å; A105-E107 PolarHBondContact O-N 2.94Å; A105-M108 PolarHBondContact O-N 3.35Å; A105-T112 HydrophobicContact CB-CG2 4.22Å
106R95.4Very high97.3Very high162 Ų16262.7 Ų62.761%0.61134%0.339SS*.Hα-helixtrans-66.1-24.1-178.1-71.9178.4-79.9178.3-4.8112.8S102 Q103 W104 M108S102-R106 PolarHBondContact O-NE 2.92Å; Q103-R106 WeakPolarHBondContact O-CB 3.27Å; Q103-R106 PolarHBondContact O-N 2.96Å; Q103-R106 VanDerWaalsContact O-N 3.11Å; W104-R106 VanDerWaalsContact C-N 3.3Å; W104-R106 PolarHBondContact O-N 2.78Å; R106-M108 VanDerWaalsContact C-N 3.35Å
107E96.2Very high97.4Very high104 Ų10461.6 Ų61.649%0.48633%0.334SS..THydrogen-bonded Turntrans-81.8-10.9179.3-64.5171.3-173.800113.2R74 Q103 W104 A105 N109R74-E107 IonicContact NH2-OE2 3.87Å; Q103-E107 PolarHBondContact NE2-OE1 2.84Å; Q103-E107 PolarHBondContact O-N 3.35Å; W104-E107 PolarHBondContact O-N 3.05Å; A105-E107 PolarHBondContact O-N 2.94Å; E107-N109 PolarHBondContact O-N 3.26Å
108M95.6Very high97.5Very high44 Ų4457.2 Ų57.222%0.21731%0.305CS..THydrogen-bonded Turntrans-83.9-0.6-170.8-68.9179.9-172.800115.7L37 L39 W73 V91 W104 A105 R106 L110L37-M108 HydrophobicContact CD2-CE 4.15Å; L37-M108 HydrophobicContact CD2-SD 3.71Å; L39-M108 HydrophobicContact CD1-CE 4.28Å; L39-M108 HydrophobicContact CD2-CE 3.88Å; L39-M108 HydrophobicContact CD2-SD 4.37Å; W73-M108 HydrophobicContact CH2-CE 3.68Å; W73-M108 HydrophobicContact CZ3-CE 4.05Å; V91-M108 HydrophobicContact CG1-SD 4.23Å; V91-M108 HydrophobicContact CG2-CB 4.32Å; V91-M108 HydrophobicContact CG2-SD 3.88Å; W104-M108 HydrophobicContact CB-CE 4.47Å; W104-M108 WeakPolarHBondContact O-CG 3.27Å; A105-M108 PolarHBondContact O-N 3.35Å; R106-M108 VanDerWaalsContact C-N 3.35Å; M108-L110 PolarHBondContact O-N 2.92Å; M108-L110 VanDerWaalsContact O-N 3.15Å
109N96.5Very high97.7Very high160 Ų16055.4 Ų55.486%0.85628%0.281SS*.  trans48.339.7-178.7-164.743.2000114E107E107-N109 PolarHBondContact O-N 3.26Å
110L98.3Very high97.7Very high53 Ų5356 Ų5628%0.27729%0.293SS..SBendtrans-127.2156.5176.9-72.6172.8000109.6P88 V91 M108 T112P88-L110 HydrophobicContact CB-CD1 3.89Å; P88-L110 HydrophobicContact CG-CD1 3.82Å; P88-L110 WeakPolarHBondContact O-CD1 3.5Å; V91-L110 HydrophobicContact CG2-CB 3.98Å; V91-L110 HydrophobicContact CG2-CD1 3.79Å; M108-L110 PolarHBondContact O-N 2.92Å; M108-L110 VanDerWaalsContact O-N 3.15Å; L110-T112 PolarHBondContact O-N 3.33Å
111P98.6Very high97.8Very high81 Ų8156.9 Ų56.953%0.52630%0.295SS..  trans-55.1125.5168-22.632.7000111Q89 Y90 V91Q89-P111 WeakPolarHBondContact O-CD 3.34Å; Y90-P111 HydrophobicContact CD1-CB 3.98Å; Y90-P111 HydrophobicContact CD1-CG 4.41Å; Y90-P111 HydrophobicContact CE1-CB 4.34Å; Y90-P111 HydrophobicContact CE1-CG 4.5Å; V91-P111 PolarHBondContact N-O 3.35Å
112T98.5Very high97.8Very high69 Ų6956.9 Ų56.942%0.42330%0.295SS..EExtended strand (participates in β ladder)trans-107.5144.7178.860.70000111.3V91 A105 L110V91-T112 HydrophobicContact CB-CG2 4.29Å; V91-T112 CarbonylContact O-C 3.51Å; V91-T112 VanDerWaalsContact O-CA 3.29Å; V91-T112 WeakPolarHBondContact O-CA 3.29Å; A105-T112 HydrophobicContact CB-CG2 4.22Å; L110-T112 PolarHBondContact O-N 3.33Å
113Q98.3Very high97.9Very high108 Ų10857.7 Ų57.751%0.50530%0.302SS..EExtended strand (participates in β ladder)trans-133.1154.6166.966.7177.2-15.400110.6V91 V92 H93V91-Q113 PolarHBondContact O-N 3.49Å; V92-Q113 WeakPolarHBondContact CA-O 3.49Å; V92-Q113 HydrophobicContact CB-CG 4.32Å; V92-Q113 HydrophobicContact CG1-CG 4.3Å; V92-Q113 HydrophobicContact CG2-CG 3.65Å; V92-Q113 VanDerWaalsContact CG2-NE2 3.27Å; H93-Q113 PolarHBondContact N-O 2.93Å; H93-Q113 VanDerWaalsContact N-O 3.13Å
114T98.4Very high98Very high82 Ų8256 Ų5650%0.50330%0.304SS..EExtended strand (participates in β ladder)trans-105.8151.6177.150.40000111.1H93H93-T114 WeakPolarHBondContact CE1-CG2 3.49Å; H93-T114 VanDerWaalsContact O-CA 3.31Å; H93-T114 WeakPolarHBondContact O-CA 3.32Å
115V98.7Very high98.1Very high46 Ų4656.3 Ų56.328%0.27931%0.308SS..EExtended strand (participates in β ladder)trans-129.6139.9169.7177.80000108.1V92 H93 A95 H119 A120V92-V115 HydrophobicContact CG1-CB 4.43Å; V92-V115 HydrophobicContact CG1-CG2 3.65Å; H93-V115 PolarHBondContact O-N 2.73Å; H93-V115 VanDerWaalsContact O-N 3.12Å; A95-V115 PolarHBondContact N-O 2.83Å; V115-H119 HydrophobicContact CG1-CB 4.26Å; V115-A120 HydrophobicContact CG1-CB 4.04Å
116L98.7Very high98.1Very high32 Ų3256.5 Ų56.517%0.16831%0.309CS..  trans-64.2137.9174.4-65.4177.2000110.1A95 H118 H119 A120 E150 W155 C167A95-L116 HydrophobicContact CB-CD2 3.95Å; L116-H118 VanDerWaalsContact C-N 3.3Å; L116-H118 PolarHBondContact O-N 3.4Å; L116-H119 HydrophobicContact CB-CB 3.93Å; L116-H119 WeakPolarHBondContact O-CB 3.31Å; L116-H119 PolarHBondContact O-N 2.93Å; L116-A120 PolarHBondContact O-N 3.23Å; L116-E150 HydrophobicContact CD1-CG 3.6Å; L116-W155 HydrophobicContact CD1-CH2 4.22Å; L116-W155 HydrophobicContact CD1-CZ3 4.14Å; L116-C167 HydrophobicContact CD1-CB 4.47Å
117H98.6Very high98.3Very high22 Ų2250.2 Ų50.210%0.10229%0.292CS..Hα-helixtrans-52.3-49.1-175.6-166.583.1000112.6D94 A120 H121 D144D94-H117 WeakPolarHBondContact OD2-CB 3.33Å; D94-H117 IonicContact OD2-CE1 3.66Å; D94-H117 IonicContact OD2-CG 3.62Å; D94-H117 IonicContact OD2-ND1 3.81Å; D94-H117 PolarHBondContact OD2-ND1 3.43Å; H117-A120 WeakPolarHBondContact O-CB 3.48Å; H117-A120 PolarHBondContact O-N 3.01Å; H117-H121 AromaticContact CD2-CD2 3.53Å; H117-H121 AromaticContact CD2-NE2 3.63Å; H117-H121 AromaticContact NE2-CD2 3.67Å; H117-H121 AromaticContact NE2-NE2 3.23Å; H117-H121 PolarHBondContact NE2-NE2 3.17Å; H117-H121 PolarHBondContact O-N 3.44Å; H117-D144 IonicContact CD2-OD2 3.43Å; H117-D144 PolarHBondContact CD2-OD2 3.15Å; H117-D144 VanDerWaalsContact CD2-OD2 3.28Å; H117-D144 IonicContact NE2-OD2 2.78Å; H117-D144 PolarHBondContact NE2-OD2 3.14Å
118H98.6Very high98.4Very high0 Ų052.5 Ų52.50%030%0.303CS..Hα-helixtrans-73-30.5-177.9-60.484.5000112.6L116 A120 H121 A122 T142 D144 G147 W155 G156 L160L116-H118 VanDerWaalsContact C-N 3.3Å; L116-H118 PolarHBondContact O-N 3.4Å; H118-A120 VanDerWaalsContact C-N 3.34Å; H118-H121 PolarHBondContact O-N 2.91Å; H118-A122 PolarHBondContact O-N 3.08Å; H118-T142 HydrophobicContact CB-CG2 4.3Å; H118-T142 PolarHBondContact CD2-OG1 2.88Å; H118-T142 WeakPolarHBondContact O-CG2 3.28Å; H118-D144 IonicContact CE1-OD2 2.73Å; H118-D144 IonicContact NE2-OD1 3.53Å; H118-D144 IonicContact NE2-OD2 3.41Å; H118-D144 PolarHBondContact NE2-OD2 3.47Å; H118-G147 PolarHBondContact CE1-O 2.85Å; H118-W155 HydrophobicContact CB-CE3 4.1Å; H118-W155 WeakPolarHBondContact CE1-CB 3.39Å; H118-W155 PolarHBondContact CE1-O 3.4Å; H118-W155 WeakPolarHBondContact ND1-CB 3.32Å; H118-W155 AromaticContact ND1-CE3 3.74Å; H118-G156 WeakPolarHBondContact NE2-CA 3.41Å; H118-G156 PolarHBondContact NE2-N 3.36Å; H118-L160 HydrophobicContact CB-CD1 3.88Å
119H98.9Very high98.5Very high22 Ų2257.2 Ų57.210%0.10232%0.324CS..Hα-helixtrans-63.6-43.4170.9-174.5-167.8000110.6V115 L116 H121 A122 A123 N163 E166 C167V115-H119 HydrophobicContact CG1-CB 4.26Å; L116-H119 HydrophobicContact CB-CB 3.93Å; L116-H119 WeakPolarHBondContact O-CB 3.31Å; L116-H119 PolarHBondContact O-N 2.93Å; H119-H121 PolarHBondContact O-N 3.44Å; H119-A122 PolarHBondContact O-N 3.17Å; H119-A123 VanDerWaalsContact O-CB 3.27Å; H119-A123 WeakPolarHBondContact O-CB 3.41Å; H119-A123 PolarHBondContact O-N 3.12Å; H119-N163 PolarHBondContact NE2-O 3.28Å; H119-E166 PolarHBondContact NE2-O 2.94Å; H119-C167 HydrophobicContact CB-CB 3.79Å
120A98.8Very high98.6Very high46 Ų4653.6 Ų53.638%0.3830%0.302SS..Hα-helixtrans-62.2-41.4175.800000112V115 L116 H117 H118 A123 A124V115-A120 HydrophobicContact CG1-CB 4.04Å; L116-A120 PolarHBondContact O-N 3.23Å; H117-A120 WeakPolarHBondContact O-CB 3.48Å; H117-A120 PolarHBondContact O-N 3.01Å; H118-A120 VanDerWaalsContact C-N 3.34Å; A120-A123 PolarHBondContact O-N 3.33Å; A120-A124 VanDerWaalsContact O-CB 3.32Å; A120-A124 WeakPolarHBondContact O-CB 3.5Å; A120-A124 PolarHBondContact O-N 3.48Å
121H98.6Very high98.7Very high50 Ų5053.7 Ų53.723%0.23130%0.299CS..Hα-helixtrans-57-50.8173.5-88.6-52.3000112.9H117 H118 H119 A124 C125 T142 S337H117-H121 AromaticContact CD2-CD2 3.53Å; H117-H121 AromaticContact CD2-NE2 3.63Å; H117-H121 AromaticContact NE2-CD2 3.67Å; H117-H121 AromaticContact NE2-NE2 3.23Å; H117-H121 PolarHBondContact NE2-NE2 3.17Å; H117-H121 PolarHBondContact O-N 3.44Å; H118-H121 PolarHBondContact O-N 2.91Å; H119-H121 PolarHBondContact O-N 3.44Å; H121-A124 PolarHBondContact O-N 2.73Å; H121-C125 PolarHBondContact O-N 3.46Å; H121-T142 HydrophobicContact CB-CG2 4.24Å; H121-S337 VanDerWaalsContact C-OG 3.29Å; H121-S337 WeakPolarHBondContact CB-OG 3.32Å; H121-S337 VanDerWaalsContact O-CB 3.27Å; H121-S337 WeakPolarHBondContact O-CB 3.42Å; H121-S337 PolarHBondContact O-OG 2.97Å
122A98.8Very high98.7Very high0 Ų051.9 Ų51.90%029%0.287CS..Hα-helixtrans-64.7-44.4178.800000111.9H118 H119 A124 C125 L126 A140 T142 V162 V335H118-A122 PolarHBondContact O-N 3.08Å; H119-A122 PolarHBondContact O-N 3.17Å; A122-A124 VanDerWaalsContact C-N 3.32Å; A122-A124 PolarHBondContact O-N 3.41Å; A122-C125 PolarHBondContact O-N 3Å; A122-L126 WeakPolarHBondContact O-CG 3.45Å; A122-L126 PolarHBondContact O-N 3.23Å; A122-A140 HydrophobicContact CB-CB 3.66Å; A122-T142 HydrophobicContact CB-CG2 4.18Å; A122-V162 HydrophobicContact CB-CB 4.33Å; A122-V162 HydrophobicContact CB-CG1 3.93Å; A122-V162 HydrophobicContact CB-CG2 4.02Å; A122-V335 HydrophobicContact CB-CG1 4.4Å
123A98.8Very high98.7Very high20 Ų2052.5 Ų52.517%0.16529%0.287CS..Hα-helixtrans-64.4-33.9179.200000112.9H119 A120 L126 A127 Y164H119-A123 VanDerWaalsContact O-CB 3.27Å; H119-A123 WeakPolarHBondContact O-CB 3.41Å; H119-A123 PolarHBondContact O-N 3.12Å; A120-A123 PolarHBondContact O-N 3.33Å; A123-L126 PolarHBondContact O-N 3.37Å; A123-A127 WeakPolarHBondContact O-CB 3.45Å; A123-A127 PolarHBondContact O-N 3.42Å; A123-Y164 HydrophobicContact CB-CD1 4.29Å
124A98.8Very high98.7Very high60 Ų6054 Ų5450%0.49630%0.299SS..Hα-helixtrans-63.8-4517500000111.8A120 H121 A122 A127 E128A120-A124 VanDerWaalsContact O-CB 3.32Å; A120-A124 WeakPolarHBondContact O-CB 3.5Å; A120-A124 PolarHBondContact O-N 3.48Å; H121-A124 PolarHBondContact O-N 2.73Å; A122-A124 VanDerWaalsContact C-N 3.32Å; A122-A124 PolarHBondContact O-N 3.41Å; A124-A127 PolarHBondContact O-N 3.19Å; A124-E128 PolarHBondContact O-N 2.84Å
125C98.6Very high98.7Very high22 Ų2251.6 Ų51.615%0.14929%0.29CS..Hα-helixtrans-64.1-43.8176-179.70000111.5H121 A122 A127 E128 H129 V335H121-C125 PolarHBondContact O-N 3.46Å; A122-C125 PolarHBondContact O-N 3Å; C125-A127 VanDerWaalsContact C-N 3.29Å; C125-A127 PolarHBondContact O-N 3.16Å; C125-E128 PolarHBondContact O-N 2.83Å; C125-H129 PolarHBondContact O-CD2 3.01Å; C125-H129 PolarHBondContact O-N 3.41Å; C125-H129 VanDerWaalsContact O-N 3.09Å; C125-V335 HydrophobicContact CB-CG1 3.84Å
126L98.8Very high98.7Very high4 Ų451.1 Ų51.12%0.02129%0.294CS..Hα-helixtrans-56.1-44.7172.7-73.3175.4000111.9A122 A123 H129 Q130 W131 V138 V162 Y164 V335A122-L126 WeakPolarHBondContact O-CG 3.45Å; A122-L126 PolarHBondContact O-N 3.23Å; A123-L126 PolarHBondContact O-N 3.37Å; L126-H129 CarbonylContact O-C 3.6Å; L126-H129 PolarHBondContact O-N 2.92Å; L126-Q130 PolarHBondContact O-N 3.47Å; L126-W131 HydrophobicContact CB-CB 3.99Å; L126-W131 HydrophobicContact CB-CG 4.5Å; L126-W131 HydrophobicContact CD2-CB 3.92Å; L126-W131 HydrophobicContact CD2-CD2 4.09Å; L126-W131 HydrophobicContact CD2-CG 3.72Å; L126-W131 VanDerWaalsContact O-CB 3.29Å; L126-W131 WeakPolarHBondContact O-CB 3.48Å; L126-W131 PolarHBondContact O-N 3.24Å; L126-V138 HydrophobicContact CD1-CG2 4.07Å; L126-V138 HydrophobicContact CD2-CG1 3.84Å; L126-V138 HydrophobicContact CD2-CG2 4.04Å; L126-V138 HydrophobicContact CG-CG2 4.42Å; L126-V162 HydrophobicContact CD1-CG1 4.27Å; L126-Y164 VanDerWaalsContact C-OH 3.31Å; L126-Y164 HydrophobicContact CB-CE1 3.94Å; L126-Y164 PolarHBondContact O-OH 3.3Å; L126-V335 HydrophobicContact CD2-CG2 3.59Å; L126-V335 HydrophobicContact CG-CG2 4.12Å
127A98.7Very high98.7Very high30 Ų3052.1 Ų52.125%0.24830%0.3CS..Hα-helixtrans-66.9-41.5-179.300000113P27 A123 A124 C125 H129 Q130 Y164P27-A127 HydrophobicContact CG-CB 3.96Å; A123-A127 WeakPolarHBondContact O-CB 3.45Å; A123-A127 PolarHBondContact O-N 3.42Å; A124-A127 PolarHBondContact O-N 3.19Å; C125-A127 VanDerWaalsContact C-N 3.29Å; C125-A127 PolarHBondContact O-N 3.16Å; A127-H129 VanDerWaalsContact C-N 3.28Å; A127-H129 PolarHBondContact O-N 3.47Å; A127-Q130 PolarHBondContact O-N 3.41Å; A127-Q130 PolarHBondContact O-NE2 3.1Å; A127-Y164 WeakPolarHBondContact CA-OH 3.28Å; A127-Y164 HydrophobicContact CB-CE1 4.49Å; A127-Y164 PolarHBondContact N-OH 2.74Å
128E98.3Very high98.7Very high152 Ų15251.1 Ų51.171%0.7130%0.295SS*.Hα-helixtrans-59.3-40.9174.8-178.3173-155.900111.6A124 C125 Q130A124-E128 PolarHBondContact O-N 2.84Å; C125-E128 PolarHBondContact O-N 2.83Å; E128-Q130 PolarHBondContact O-N 2.89Å
129H98.7Very high98.7Very high142 Ų14251.1 Ų51.166%0.65730%0.295SS*.THydrogen-bonded Turntrans-80.410175.9-79.3-88.5000114.7C125 L126 A127 W131C125-H129 PolarHBondContact O-CD2 3.01Å; C125-H129 PolarHBondContact O-N 3.41Å; C125-H129 VanDerWaalsContact O-N 3.09Å; L126-H129 CarbonylContact O-C 3.6Å; L126-H129 PolarHBondContact O-N 2.92Å; A127-H129 VanDerWaalsContact C-N 3.28Å; A127-H129 PolarHBondContact O-N 3.47Å; H129-W131 PolarHBondContact O-N 3.25Å
130Q98.7Very high98.7Very high84 Ų8450 Ų5039%0.39329%0.29SS..THydrogen-bonded Turntrans56.135.2178.1-62.2-69.1-59.900113.6A25 P28 L126 A127 E128 P132A25-Q130 PolarHBondContact O-NE2 3.26Å; P28-Q130 WeakPolarHBondContact CD-O 3.41Å; L126-Q130 PolarHBondContact O-N 3.47Å; A127-Q130 PolarHBondContact O-N 3.41Å; A127-Q130 PolarHBondContact O-NE2 3.1Å; E128-Q130 PolarHBondContact O-N 2.89Å; Q130-P132 WeakPolarHBondContact O-CD 3.34Å
131W98.8Very high98.7Very high56 Ų5648.1 Ų48.121%0.21227%0.274CS..  trans-60.2125.3174.7-168.6-106.5000110.1P27 L126 H129 G135 G136 V138 Y164 T333P27-W131 WeakPolarHBondContact CB-O 3.12Å; L126-W131 HydrophobicContact CB-CB 3.99Å; L126-W131 HydrophobicContact CB-CG 4.5Å; L126-W131 HydrophobicContact CD2-CB 3.92Å; L126-W131 HydrophobicContact CD2-CD2 4.09Å; L126-W131 HydrophobicContact CD2-CG 3.72Å; L126-W131 VanDerWaalsContact O-CB 3.29Å; L126-W131 WeakPolarHBondContact O-CB 3.48Å; L126-W131 PolarHBondContact O-N 3.24Å; H129-W131 PolarHBondContact O-N 3.25Å; W131-G135 WeakPolarHBondContact CZ2-O 3.44Å; W131-G136 PolarHBondContact NE1-O 3.43Å; W131-V138 HydrophobicContact CH2-CG1 4.42Å; W131-V138 HydrophobicContact CZ2-CG1 3.92Å; W131-Y164 HydrophobicContact CB-CE2 4.46Å; W131-Y164 VanDerWaalsContact O-CE2 3.31Å; W131-Y164 WeakPolarHBondContact O-CE2 3.28Å; W131-Y164 PolarHBondContact O-OH 2.95Å; W131-T333 HydrophobicContact CH2-CG2 4.2Å; W131-T333 HydrophobicContact CZ3-CG2 4.05Å
132P98.8Very high98.7Very high43 Ų4345.8 Ų45.828%0.27926%0.263SS..  trans-62.2153.3-176.5-23.934.3000112.7P28 Q130 D134 G135 Y164P28-P132 HydrophobicContact CB-CB 4.29Å; P28-P132 WeakPolarHBondContact O-CA 3.46Å; Q130-P132 WeakPolarHBondContact O-CD 3.34Å; P132-D134 WeakPolarHBondContact CB-OD1 3.45Å; P132-D134 PolarHBondContact O-N 2.85Å; P132-D134 VanDerWaalsContact O-N 3.12Å; P132-G135 PolarHBondContact O-N 3.05Å; P132-Y164 WeakPolarHBondContact O-CE2 3.47Å
133L98.7Very high98.7Very high81 Ų8145.9 Ų45.942%0.42426%0.263SS..THydrogen-bonded Turntrans-53-34.3175.417961.8000112.4P28 G29 F30 Y164P28-L133 PolarHBondContact O-N 3.45Å; G29-L133 WeakPolarHBondContact O-CD2 3.45Å; F30-L133 HydrophobicContact CD2-CB 4.11Å; F30-L133 HydrophobicContact CD2-CD1 4.39Å; F30-L133 HydrophobicContact CE1-CD1 3.95Å; F30-L133 HydrophobicContact CE2-CB 3.99Å; F30-L133 HydrophobicContact CE2-CD1 3.82Å; F30-L133 HydrophobicContact CE2-CG 4.48Å; F30-L133 HydrophobicContact CZ-CD1 3.59Å; L133-Y164 HydrophobicContact CD1-CD2 4.4Å
134D98.4Very high98.6Very high141 Ų14145.2 Ų45.275%0.75426%0.257SS*.THydrogen-bonded Turntrans-105.319.1176.863.7-21.3000113.3P132 G136P132-D134 WeakPolarHBondContact CB-OD1 3.45Å; P132-D134 PolarHBondContact O-N 2.85Å; P132-D134 VanDerWaalsContact O-N 3.12Å; D134-G136 PolarHBondContact O-N 2.99Å; D134-G136 VanDerWaalsContact O-N 3.1Å
135G98.4Very high98.4Very high31 Ų3143.3 Ų43.332%0.3224%0.243SC..SBendtrans-65.2-13.8-176.300000114.8W131 P132W131-G135 WeakPolarHBondContact CZ2-O 3.44Å; P132-G135 PolarHBondContact O-N 3.05Å
136G98.5Very high98.3Very high36 Ų3644.6 Ų44.637%0.37125%0.248SC..  trans89.6-173.9-179.400000113.3W131 D134W131-G136 PolarHBondContact NE1-O 3.43Å; D134-G136 PolarHBondContact O-N 2.99Å; D134-G136 VanDerWaalsContact O-N 3.1Å
137D98.8Very high98.2Very high53 Ų5344.4 Ų44.428%0.28325%0.247SC..  trans-80.3148.9-174.4-67.7-7.5000112.6R161 V162 N163 I331D137-R161 HydrophobicContact CB-CG 4.09Å; D137-R161 IonicContact OD1-NH1 3.52Å; D137-R161 VanDerWaalsContact OD2-CD 3.29Å; D137-R161 WeakPolarHBondContact OD2-CD 3.21Å; D137-R161 IonicContact OD2-CZ 2.94Å; D137-R161 IonicContact OD2-NE 2.86Å; D137-R161 IonicContact OD2-NH1 3.83Å; D137-R161 PolarHBondContact OD2-NH1 3.47Å; D137-V162 WeakPolarHBondContact CA-O 3.12Å; D137-N163 WeakPolarHBondContact OD1-CB 3.46Å; D137-N163 PolarHBondContact OD1-ND2 2.94Å; D137-I331 HydrophobicContact CB-CD1 3.87Å; D137-I331 HydrophobicContact CB-CG1 4.4Å
138V98.9Very high98.2Very high0 Ų044.1 Ų44.10%024%0.241CC..EExtended strand (participates in β ladder)trans-122.8161.3168.9-58.40000110.6L126 W131 R161 V162 T333 V335L126-V138 HydrophobicContact CD1-CG2 4.07Å; L126-V138 HydrophobicContact CD2-CG1 3.84Å; L126-V138 HydrophobicContact CD2-CG2 4.04Å; L126-V138 HydrophobicContact CG-CG2 4.42Å; W131-V138 HydrophobicContact CH2-CG1 4.42Å; W131-V138 HydrophobicContact CZ2-CG1 3.92Å; V138-R161 WeakPolarHBondContact O-CA 3.28Å; V138-V162 HydrophobicContact CG2-CB 4.14Å; V138-V162 WeakPolarHBondContact CG2-O 3.23Å; V138-V162 PolarHBondContact N-O 2.96Å; V138-V162 PolarHBondContact O-N 3.16Å; V138-T333 HydrophobicContact CG1-CG2 3.95Å; V138-V335 HydrophobicContact CB-CG2 4.08Å; V138-V335 HydrophobicContact CG1-CG2 4.27Å; V138-V335 HydrophobicContact CG2-CB 4.19Å; V138-V335 HydrophobicContact CG2-CG2 3.74Å
139I98.9Very high98.2Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-96.1116.9162.7-61.4-53.9000108.1L160 R161 L170 M322 Q325 A326 I331 T333 L334 V335I139-L160 CarbonylContact C-O 3.53Å; I139-L160 WeakPolarHBondContact CA-O 3.33Å; I139-R161 HydrophobicContact CD1-CB 4.24Å; I139-L170 HydrophobicContact CD1-CD1 3.65Å; I139-M322 HydrophobicContact CG2-CB 4.2Å; I139-M322 HydrophobicContact CG2-CE 4.05Å; I139-M322 HydrophobicContact CG2-CG 4.15Å; I139-M322 WeakPolarHBondContact O-CE 3.42Å; I139-Q325 HydrophobicContact CD1-CB 4.21Å; I139-Q325 HydrophobicContact CG1-CB 4.4Å; I139-A326 HydrophobicContact CB-CB 4.38Å; I139-A326 HydrophobicContact CG1-CB 3.71Å; I139-I331 HydrophobicContact CD1-CD1 3.72Å; I139-I331 HydrophobicContact CG1-CB 4.39Å; I139-I331 HydrophobicContact CG1-CD1 4Å; I139-I331 HydrophobicContact CG1-CG2 4.14Å; I139-T333 PolarHBondContact N-O 3.41Å; I139-L334 HydrophobicContact CB-CD2 3.77Å; I139-L334 HydrophobicContact CG2-CD2 4.33Å; I139-L334 CarbonylContact O-C 3.56Å; I139-L334 VanDerWaalsContact O-CA 3.28Å; I139-L334 WeakPolarHBondContact O-CA 3.36Å; I139-V335 PolarHBondContact O-N 2.86Å
140A98.9Very high98.1Very high0 Ų033.4 Ų33.40%019%0.192CC..EExtended strand (participates in β ladder)trans-102.5137.3179.600000111.1A122 C159 L160 V162 V335A122-A140 HydrophobicContact CB-CB 3.66Å; A140-C159 CarbonylContact O-C 3Å; A140-C159 WeakPolarHBondContact O-CA 3.03Å; A140-L160 HydrophobicContact CB-CB 4.42Å; A140-L160 PolarHBondContact N-O 3.11Å; A140-L160 PolarHBondContact O-N 3.22Å; A140-V162 HydrophobicContact CB-CB 4.36Å; A140-V162 HydrophobicContact CB-CG2 3.86Å; A140-V335 CarbonylContact C-O 3.51Å; A140-V335 VanDerWaalsContact CA-O 3.28Å; A140-V335 WeakPolarHBondContact CA-O 3.41Å; A140-V335 HydrophobicContact CB-CB 4.1Å; A140-V335 HydrophobicContact CB-CG1 4.25Å
141L98.9Very high97.9Very high6 Ų637.5 Ų37.53%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-106115.8164.6-173.968.9000108.5L143 E158 F318 M322 V335 F336 S337L141-L143 HydrophobicContact CD1-CD2 3.77Å; L141-L143 HydrophobicContact CD1-CG 4.45Å; L141-L143 HydrophobicContact CD2-CD1 3.98Å; L141-L143 HydrophobicContact CD2-CD2 4.22Å; L141-L143 HydrophobicContact CD2-CG 4.11Å; L141-L143 HydrophobicContact CG-CD1 4.32Å; L141-L143 HydrophobicContact CG-CD2 3.77Å; L141-L143 HydrophobicContact CG-CG 3.89Å; L141-E158 WeakPolarHBondContact CA-O 3.42Å; L141-F318 HydrophobicContact CD1-CB 4.16Å; L141-F318 HydrophobicContact CD1-CD1 3.45Å; L141-F318 VanDerWaalsContact CD1-CD1 3.45Å; L141-F318 HydrophobicContact CD1-CD2 4.28Å; L141-F318 HydrophobicContact CD1-CE1 3.74Å; L141-F318 HydrophobicContact CD1-CE2 4.5Å; L141-F318 HydrophobicContact CD1-CG 3.74Å; L141-F318 HydrophobicContact CD1-CZ 4.24Å; L141-F318 HydrophobicContact CD2-CB 3.83Å; L141-F318 HydrophobicContact CD2-CD2 4.1Å; L141-F318 HydrophobicContact CD2-CG 3.94Å; L141-M322 HydrophobicContact CB-CE 3.66Å; L141-M322 HydrophobicContact CB-SD 3.62Å; L141-M322 HydrophobicContact CD2-SD 4.06Å; L141-M322 HydrophobicContact CG-SD 4.27Å; L141-V335 PolarHBondContact N-O 3.46Å; L141-F336 HydrophobicContact CB-CD1 3.83Å; L141-F336 HydrophobicContact CB-CE1 4.11Å; L141-F336 HydrophobicContact CD2-CD1 3.88Å; L141-F336 HydrophobicContact CD2-CE1 3.93Å; L141-F336 HydrophobicContact CG-CD1 4.42Å; L141-F336 WeakPolarHBondContact O-CA 3.37Å; L141-S337 PolarHBondContact O-N 2.94Å
142T98.7Very high97.8Very high0 Ų037.3 Ų37.30%023%0.231CC..EExtended strand (participates in β ladder)trans-116107.6-179.555.60000109.7H118 H121 A122 E158 L160 S337H118-T142 HydrophobicContact CB-CG2 4.3Å; H118-T142 PolarHBondContact CD2-OG1 2.88Å; H118-T142 WeakPolarHBondContact O-CG2 3.28Å; H121-T142 HydrophobicContact CB-CG2 4.24Å; A122-T142 HydrophobicContact CB-CG2 4.18Å; T142-E158 PolarHBondContact N-O 2.89Å; T142-E158 PolarHBondContact O-N 3.33Å; T142-L160 HydrophobicContact CG2-CD1 4.12Å; T142-S337 VanDerWaalsContact CA-O 3.3Å; T142-S337 WeakPolarHBondContact CA-O 3.41Å
143L98.6Very high97.7Very high2 Ų237.3 Ų37.31%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-113.7117.3-175.7-52.9-173.6000110.1L141 C236 F318 S337 G338 G339 V340 I341L141-L143 HydrophobicContact CD1-CD2 3.77Å; L141-L143 HydrophobicContact CD1-CG 4.45Å; L141-L143 HydrophobicContact CD2-CD1 3.98Å; L141-L143 HydrophobicContact CD2-CD2 4.22Å; L141-L143 HydrophobicContact CD2-CG 4.11Å; L141-L143 HydrophobicContact CG-CD1 4.32Å; L141-L143 HydrophobicContact CG-CD2 3.77Å; L141-L143 HydrophobicContact CG-CG 3.89Å; L143-C236 HydrophobicContact CB-CB 4.11Å; L143-C236 HydrophobicContact CD2-CB 4.28Å; L143-F318 HydrophobicContact CD1-CD2 4.37Å; L143-F318 HydrophobicContact CD1-CE2 4.06Å; L143-F318 HydrophobicContact CD2-CD2 4.36Å; L143-F318 HydrophobicContact CD2-CE1 4.35Å; L143-F318 HydrophobicContact CD2-CE2 3.61Å; L143-F318 HydrophobicContact CD2-CZ 3.59Å; L143-S337 PolarHBondContact N-O 3.34Å; L143-G338 CarbonylContact O-C 3.57Å; L143-G338 VanDerWaalsContact O-CA 3.24Å; L143-G338 WeakPolarHBondContact O-CA 3.39Å; L143-G339 PolarHBondContact O-N 3.49Å; L143-G339 VanDerWaalsContact O-N 3.16Å; L143-V340 HydrophobicContact CB-CB 3.73Å; L143-V340 HydrophobicContact CB-CG1 4.09Å; L143-V340 HydrophobicContact CD1-CG1 4.46Å; L143-V340 WeakPolarHBondContact O-CB 3.34Å; L143-V340 PolarHBondContact O-N 3.33Å; L143-I341 HydrophobicContact CB-CD1 4.32Å; L143-I341 HydrophobicContact CB-CG1 4.35Å; L143-I341 HydrophobicContact CD1-CD1 3.79Å; L143-I341 HydrophobicContact CG-CD1 4.03Å
144D96Very high97.7Very high7 Ų734.7 Ų34.74%0.03722%0.222CC..EExtended strand (participates in β ladder)trans-145.2-171.4-178.789.40.8000113.2H117 H118 I146 G156 C236 G237H117-D144 IonicContact CD2-OD2 3.43Å; H117-D144 PolarHBondContact CD2-OD2 3.15Å; H117-D144 VanDerWaalsContact CD2-OD2 3.28Å; H117-D144 IonicContact NE2-OD2 2.78Å; H117-D144 PolarHBondContact NE2-OD2 3.14Å; H118-D144 IonicContact CE1-OD2 2.73Å; H118-D144 IonicContact NE2-OD1 3.53Å; H118-D144 IonicContact NE2-OD2 3.41Å; H118-D144 PolarHBondContact NE2-OD2 3.47Å; D144-I146 WeakPolarHBondContact OD1-CA 3.36Å; D144-I146 PolarHBondContact OD1-N 3.27Å; D144-G156 PolarHBondContact N-O 3.29Å; D144-G156 WeakPolarHBondContact OD1-CA 3.37Å; D144-C236 PolarHBondContact O-N 3.33Å; D144-G237 PolarHBondContact O-N 2.94Å
145G95.1Very high97.7Very high20 Ų2028.6 Ų28.621%0.20619%0.188CC..EExtended strand (participates in β ladder)trans-72.5-78.2165.900000112.1S235G145-S235 WeakPolarHBondContact O-CB 3.32Å; G145-S235 PolarHBondContact O-OG 3.28Å
146I96.5Very high97.7Very high49 Ų4927.1 Ų27.125%0.25117%0.173SC..EExtended strand (participates in β ladder)trans-146.5130.7178.3-62.5-66.7000109.6D144 L154 W155 L178 A233D144-I146 WeakPolarHBondContact OD1-CA 3.36Å; D144-I146 PolarHBondContact OD1-N 3.27Å; I146-L154 HydrophobicContact CG2-CB 4.3Å; I146-L154 HydrophobicContact CG2-CD1 4.46Å; I146-L154 HydrophobicContact CG2-CD2 4.05Å; I146-W155 WeakPolarHBondContact CA-O 3.08Å; I146-L178 HydrophobicContact CD1-CD1 3.7Å; I146-L178 HydrophobicContact CG1-CD1 4.25Å; I146-A233 HydrophobicContact CD1-CB 3.35Å
147G97.6Very high97.7Very high0 Ų025.4 Ų25.40%016%0.155CC..EExtended strand (participates in β ladder)trans-136.9149.7164.900000111.6H118 G149 W155H118-G147 PolarHBondContact CE1-O 2.85Å; G147-G149 PolarHBondContact O-N 3.38Å; G147-W155 PolarHBondContact N-O 3.25Å; G147-W155 PolarHBondContact O-N 3.27Å
148M98Very high97.7Very high23 Ų2323 Ų2311%0.11314%0.142CC..EExtended strand (participates in β ladder)trans-69.8123.5177.4-171.26379.400110.2H96 G152 L154H96-M148 HydrophobicContact CB-CB 3.78Å; M148-G152 VanDerWaalsContact SD-C 3.57Å; M148-G152 VanDerWaalsContact SD-CA 3.54Å; M148-L154 HydrophobicContact CE-CD2 4.18Å; M148-L154 HydrophobicContact SD-CD2 4.18Å
149G97.8Very high97.7Very high3 Ų323 Ų233%0.03114%0.142CC..  trans-96-167.9173.700000113G147 A153G147-G149 PolarHBondContact O-N 3.38Å; G149-A153 WeakPolarHBondContact CA-O 3.44Å; G149-A153 PolarHBondContact N-O 3.01Å
150E96.5Very high97.7Very high66 Ų6623 Ų2331%0.30814%0.142SC..G310 helixtrans-62.9147.2177-70.2170.7-163.100112.2L116 G152 A153 W155L116-E150 HydrophobicContact CD1-CG 3.6Å; E150-G152 PolarHBondContact O-N 3.4Å; E150-A153 WeakPolarHBondContact O-CB 3.38Å; E150-A153 PolarHBondContact O-N 2.9Å; E150-W155 HydrophobicContact CB-CH2 4.11Å; E150-W155 HydrophobicContact CB-CZ2 3.89Å; E150-W155 HydrophobicContact CG-CH2 3.65Å; E150-W155 HydrophobicContact CG-CZ2 3.96Å
151N96.4Very high97.7Very high171 Ų17124.9 Ų24.991%0.91415%0.149SC*.G310 helixtrans53.726.9173.6-54.8-52.1000114.7A153N151-A153 VanDerWaalsContact C-N 3.35Å
152G95Very high97.7Very high51 Ų5124.6 Ų24.653%0.52615%0.148SC..G310 helixtrans82.27.3179.200000114.9M148 E150M148-G152 VanDerWaalsContact SD-C 3.57Å; M148-G152 VanDerWaalsContact SD-CA 3.54Å; E150-G152 PolarHBondContact O-N 3.4Å
153A98Very high97.7Very high43 Ų4325.9 Ų25.936%0.35515%0.154SC..PPolyproline II helixtrans-66.8145.917400000111G149 E150 N151G149-A153 WeakPolarHBondContact CA-O 3.44Å; G149-A153 PolarHBondContact N-O 3.01Å; E150-A153 WeakPolarHBondContact O-CB 3.38Å; E150-A153 PolarHBondContact O-N 2.9Å; N151-A153 VanDerWaalsContact C-N 3.35Å
154L98.4Very high97.8Very high27 Ų2727.7 Ų27.714%0.14116%0.162CC..EExtended strand (participates in β ladder)trans-95117.6171.6-58.7179.8000109I146 M148 L178 P231 A233 S234I146-L154 HydrophobicContact CG2-CB 4.3Å; I146-L154 HydrophobicContact CG2-CD1 4.46Å; I146-L154 HydrophobicContact CG2-CD2 4.05Å; M148-L154 HydrophobicContact CE-CD2 4.18Å; M148-L154 HydrophobicContact SD-CD2 4.18Å; L154-L178 HydrophobicContact CD1-CD1 4.34Å; L154-P231 HydrophobicContact CD1-CB 3.87Å; L154-P231 HydrophobicContact CD1-CG 4.09Å; L154-A233 HydrophobicContact CB-CB 3.65Å; L154-A233 HydrophobicContact CD1-CB 4.37Å; L154-A233 VanDerWaalsContact O-CA 3.27Å; L154-A233 WeakPolarHBondContact O-CA 3.47Å; L154-S234 PolarHBondContact O-N 3.15Å; L154-S234 VanDerWaalsContact O-N 3.13Å; L154-S234 PolarHBondContact O-OG 2.98Å
155W98.8Very high97.9Very high13 Ų1338 Ų385%0.04920%0.2CC..EExtended strand (participates in β ladder)trans-103.1162-179.4-72.8-4.5000110.7L116 H118 I146 G147 E150 E158 L160 H169L116-W155 HydrophobicContact CD1-CH2 4.22Å; L116-W155 HydrophobicContact CD1-CZ3 4.14Å; H118-W155 HydrophobicContact CB-CE3 4.1Å; H118-W155 WeakPolarHBondContact CE1-CB 3.39Å; H118-W155 PolarHBondContact CE1-O 3.4Å; H118-W155 WeakPolarHBondContact ND1-CB 3.32Å; H118-W155 AromaticContact ND1-CE3 3.74Å; I146-W155 WeakPolarHBondContact CA-O 3.08Å; G147-W155 PolarHBondContact N-O 3.25Å; G147-W155 PolarHBondContact O-N 3.27Å; E150-W155 HydrophobicContact CB-CH2 4.11Å; E150-W155 HydrophobicContact CB-CZ2 3.89Å; E150-W155 HydrophobicContact CG-CH2 3.65Å; E150-W155 HydrophobicContact CG-CZ2 3.96Å; W155-E158 WeakPolarHBondContact CA-OE1 3.39Å; W155-E158 HydrophobicContact CB-CG 3.61Å; W155-E158 WeakPolarHBondContact CB-OE1 3.33Å; W155-E158 HydrophobicContact CD2-CG 3.82Å; W155-E158 HydrophobicContact CE3-CG 3.98Å; W155-E158 HydrophobicContact CG-CG 3.66Å; W155-L160 HydrophobicContact CH2-CD2 4.41Å; W155-L160 HydrophobicContact CZ3-CD2 4.06Å; W155-H169 AromaticContact CE2-CD2 3.57Å; W155-H169 HydrophobicContact CH2-CB 3.92Å; W155-H169 AromaticContact CH2-CD2 3.92Å; W155-H169 HydrophobicContact CZ2-CB 3.83Å; W155-H169 AromaticContact CZ2-CD2 3.45Å; W155-H169 VanDerWaalsContact CZ2-CD2 3.45Å; W155-H169 WeakPolarHBondContact CZ2-CD2 3.36Å; W155-H169 AromaticContact CZ2-CG 3.84Å; W155-H169 AromaticContact NE1-CD2 3.93Å
156G98.3Very high98Very high0 Ų041.7 Ų41.70%021%0.212CC..EExtended strand (participates in β ladder)trans179.413.8170.500000114.9H118 D144 E158 S234 C236H118-G156 WeakPolarHBondContact NE2-CA 3.41Å; H118-G156 PolarHBondContact NE2-N 3.36Å; D144-G156 PolarHBondContact N-O 3.29Å; D144-G156 WeakPolarHBondContact OD1-CA 3.37Å; G156-E158 PolarHBondContact N-OE1 3.31Å; G156-S234 CarbonylContact C-O 3.52Å; G156-S234 PolarHBondContact N-O 3.31Å; G156-C236 WeakPolarHBondContact O-CB 3.45Å; G156-C236 PolarHBondContact O-N 3.12Å
157G98.6Very high98.1Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-163.153.3-175.700000111.4G172 L173 S234G157-G172 CarbonylContact O-C 3.52Å; G157-G172 WeakPolarHBondContact O-CA 3.39Å; G157-L173 PolarHBondContact O-N 2.76Å; G157-S234 WeakPolarHBondContact CA-O 3.37Å; G157-S234 PolarHBondContact N-O 3.06Å
158E98.8Very high98.2Very high2 Ų243.9 Ų43.91%0.00922%0.223CC..EExtended strand (participates in β ladder)trans-106.5142.1-164.3-41.9-47.6132.500113.1L141 T142 W155 G156 L160 H169 S234L141-E158 WeakPolarHBondContact CA-O 3.42Å; T142-E158 PolarHBondContact N-O 2.89Å; T142-E158 PolarHBondContact O-N 3.33Å; W155-E158 WeakPolarHBondContact CA-OE1 3.39Å; W155-E158 HydrophobicContact CB-CG 3.61Å; W155-E158 WeakPolarHBondContact CB-OE1 3.33Å; W155-E158 HydrophobicContact CD2-CG 3.82Å; W155-E158 HydrophobicContact CE3-CG 3.98Å; W155-E158 HydrophobicContact CG-CG 3.66Å; G156-E158 PolarHBondContact N-OE1 3.31Å; E158-L160 HydrophobicContact CB-CD1 4.42Å; E158-L160 HydrophobicContact CB-CD2 3.73Å; E158-L160 HydrophobicContact CB-CG 3.94Å; E158-H169 IonicContact OE2-CD2 3.8Å; E158-H169 IonicContact OE2-CE1 2.73Å; E158-H169 IonicContact OE2-NE2 2.69Å; E158-H169 PolarHBondContact OE2-NE2 3.45Å; E158-S234 VanDerWaalsContact OE1-CB 3.3Å; E158-S234 WeakPolarHBondContact OE1-CB 3.34Å; E158-S234 PolarHBondContact OE1-OG 3.38Å; E158-S234 PolarHBondContact OE2-OG 3.03Å
159C98.8Very high98.2Very high0 Ų046.1 Ų46.10%023%0.233CC..EExtended strand (participates in β ladder)trans-98.2123.8161.5-175.20000108.6A140 L170 G171 L321A140-C159 CarbonylContact O-C 3Å; A140-C159 WeakPolarHBondContact O-CA 3.03Å; C159-L170 WeakPolarHBondContact O-CA 3.44Å; C159-L170 VanDerWaalsContact O-CB 3.31Å; C159-L170 WeakPolarHBondContact O-CB 3.35Å; C159-L170 PolarHBondContact O-N 3.43Å; C159-G171 PolarHBondContact N-O 3.2Å; C159-G171 PolarHBondContact O-N 2.86Å; C159-L321 HydrophobicContact CB-CD2 3.67Å; C159-L321 HydrophobicContact CB-CG 4.13Å
160L98.9Very high98.3Very high0 Ų046.4 Ų46.40%023%0.234CC..EExtended strand (participates in β ladder)trans-128.6146.4-171.2-54.1174.7000110.9H118 I139 A140 T142 W155 E158 V162 E168 H169H118-L160 HydrophobicContact CB-CD1 3.88Å; I139-L160 CarbonylContact C-O 3.53Å; I139-L160 WeakPolarHBondContact CA-O 3.33Å; A140-L160 HydrophobicContact CB-CB 4.42Å; A140-L160 PolarHBondContact N-O 3.11Å; A140-L160 PolarHBondContact O-N 3.22Å; T142-L160 HydrophobicContact CG2-CD1 4.12Å; W155-L160 HydrophobicContact CH2-CD2 4.41Å; W155-L160 HydrophobicContact CZ3-CD2 4.06Å; E158-L160 HydrophobicContact CB-CD1 4.42Å; E158-L160 HydrophobicContact CB-CD2 3.73Å; E158-L160 HydrophobicContact CB-CG 3.94Å; L160-V162 HydrophobicContact CB-CG2 3.65Å; L160-V162 HydrophobicContact CD1-CG2 4.36Å; L160-E168 CarbonylContact C-O 3.54Å; L160-E168 WeakPolarHBondContact CA-O 3.15Å; L160-H169 HydrophobicContact CD2-CB 4.33Å
161R98.9Very high98.4Very high40 Ų4043.5 Ų43.515%0.15122%0.222CC..EExtended strand (participates in β ladder)trans-90.3125.3157.7179.6-177.46984.34.3107.5D137 V138 I139 E166 C167 E168 L170 I331D137-R161 HydrophobicContact CB-CG 4.09Å; D137-R161 IonicContact OD1-NH1 3.52Å; D137-R161 VanDerWaalsContact OD2-CD 3.29Å; D137-R161 WeakPolarHBondContact OD2-CD 3.21Å; D137-R161 IonicContact OD2-CZ 2.94Å; D137-R161 IonicContact OD2-NE 2.86Å; D137-R161 IonicContact OD2-NH1 3.83Å; D137-R161 PolarHBondContact OD2-NH1 3.47Å; V138-R161 WeakPolarHBondContact O-CA 3.28Å; I139-R161 HydrophobicContact CD1-CB 4.24Å; R161-E166 IonicContact CZ-OE2 2.76Å; R161-E166 IonicContact NH1-OE2 3.28Å; R161-E166 PolarHBondContact NH1-OE2 2.78Å; R161-E166 IonicContact NH2-OE2 3.54Å; R161-C167 WeakPolarHBondContact O-CA 3.42Å; R161-E168 HydrophobicContact CB-CB 4.25Å; R161-E168 IonicContact CZ-OE2 3.52Å; R161-E168 PolarHBondContact N-O 3.41Å; R161-E168 IonicContact NE-OE2 3.24Å; R161-E168 PolarHBondContact NE-OE2 3.38Å; R161-E168 IonicContact NH2-OE2 2.73Å; R161-E168 PolarHBondContact NH2-OE2 3.14Å; R161-E168 PolarHBondContact O-N 2.87Å; R161-L170 HydrophobicContact CB-CD1 4.08Å; R161-L170 HydrophobicContact CB-CD2 4.31Å; R161-L170 HydrophobicContact CB-CG 4.39Å; R161-I331 HydrophobicContact CG-CD1 4.39Å
162V98.9Very high98.5Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-133.3138.7-172.5178.30000111.2A122 L126 D137 V138 A140 L160 E166A122-V162 HydrophobicContact CB-CB 4.33Å; A122-V162 HydrophobicContact CB-CG1 3.93Å; A122-V162 HydrophobicContact CB-CG2 4.02Å; L126-V162 HydrophobicContact CD1-CG1 4.27Å; D137-V162 WeakPolarHBondContact CA-O 3.12Å; V138-V162 HydrophobicContact CG2-CB 4.14Å; V138-V162 WeakPolarHBondContact CG2-O 3.23Å; V138-V162 PolarHBondContact N-O 2.96Å; V138-V162 PolarHBondContact O-N 3.16Å; A140-V162 HydrophobicContact CB-CB 4.36Å; A140-V162 HydrophobicContact CB-CG2 3.86Å; L160-V162 HydrophobicContact CB-CG2 3.65Å; L160-V162 HydrophobicContact CD1-CG2 4.36Å; V162-E166 WeakPolarHBondContact CA-O 3.48Å
163N98.8Very high98.7Very high26 Ų2633.4 Ų33.414%0.13916%0.156CC..  trans-133.3-175.41536253.6000108.3H119 D137 R165 E166H119-N163 PolarHBondContact NE2-O 3.28Å; D137-N163 WeakPolarHBondContact OD1-CB 3.46Å; D137-N163 PolarHBondContact OD1-ND2 2.94Å; N163-R165 PolarHBondContact O-N 2.89Å; N163-R165 WeakPolarHBondContact OD1-CA 3.35Å; N163-R165 PolarHBondContact OD1-N 3.42Å; N163-E166 PolarHBondContact N-O 2.82Å; N163-E166 PolarHBondContact ND2-OE2 3.02Å; N163-E166 VanDerWaalsContact O-O 3.07Å; N163-E166 PolarHBondContact OD1-N 3.02Å
164Y98.7Very high98.7Very high41 Ų4131.7 Ų31.716%0.16114%0.141CC..SBendtrans-63.4-15.6-178.6-71.7-59.3000114.9P27 F30 A123 L126 A127 W131 P132 L133P27-Y164 WeakPolarHBondContact CG-OH 3.43Å; F30-Y164 AromaticContact CE2-CD2 3.84Å; F30-Y164 HydrophobicContact CE2-CD2 3.84Å; F30-Y164 HydrophobicContact CE2-CE1 4.48Å; F30-Y164 AromaticContact CE2-CE2 3.69Å; F30-Y164 HydrophobicContact CE2-CE2 3.69Å; F30-Y164 HydrophobicContact CE2-CG 4.29Å; F30-Y164 HydrophobicContact CZ-CD1 4.09Å; F30-Y164 AromaticContact CZ-CD2 3.81Å; F30-Y164 HydrophobicContact CZ-CD2 3.81Å; F30-Y164 HydrophobicContact CZ-CE1 4.35Å; F30-Y164 HydrophobicContact CZ-CE2 4.06Å; F30-Y164 AromaticContact CZ-CG 3.81Å; F30-Y164 HydrophobicContact CZ-CG 3.81Å; A123-Y164 HydrophobicContact CB-CD1 4.29Å; L126-Y164 VanDerWaalsContact C-OH 3.31Å; L126-Y164 HydrophobicContact CB-CE1 3.94Å; L126-Y164 PolarHBondContact O-OH 3.3Å; A127-Y164 WeakPolarHBondContact CA-OH 3.28Å; A127-Y164 HydrophobicContact CB-CE1 4.49Å; A127-Y164 PolarHBondContact N-OH 2.74Å; W131-Y164 HydrophobicContact CB-CE2 4.46Å; W131-Y164 VanDerWaalsContact O-CE2 3.31Å; W131-Y164 WeakPolarHBondContact O-CE2 3.28Å; W131-Y164 PolarHBondContact O-OH 2.95Å; P132-Y164 WeakPolarHBondContact O-CE2 3.47Å; L133-Y164 HydrophobicContact CD1-CD2 4.4Å
165R98.6Very high98.7Very high224 Ų22432.2 Ų32.285%0.84515%0.149SC*.SBendtrans-116.1-23.5-175.2-61.917966.5-167.7-1.2113.6N163N163-R165 PolarHBondContact O-N 2.89Å; N163-R165 WeakPolarHBondContact OD1-CA 3.35Å; N163-R165 PolarHBondContact OD1-N 3.42Å
166E98.7Very high98.7Very high96 Ų9632.2 Ų32.245%0.44915%0.151SC..  trans-124.6144.1-173.7-57.8-174.7131.300111.3H119 R161 V162 N163H119-E166 PolarHBondContact NE2-O 2.94Å; R161-E166 IonicContact CZ-OE2 2.76Å; R161-E166 IonicContact NH1-OE2 3.28Å; R161-E166 PolarHBondContact NH1-OE2 2.78Å; R161-E166 IonicContact NH2-OE2 3.54Å; V162-E166 WeakPolarHBondContact CA-O 3.48Å; N163-E166 PolarHBondContact N-O 2.82Å; N163-E166 PolarHBondContact ND2-OE2 3.02Å; N163-E166 VanDerWaalsContact O-O 3.07Å; N163-E166 PolarHBondContact OD1-N 3.02Å
167C98.7Very high98.7Very high22 Ų2232.7 Ų32.715%0.14915%0.154CC..EExtended strand (participates in β ladder)trans-137.1119170.9177.30000106.1L116 H119 R161L116-C167 HydrophobicContact CD1-CB 4.47Å; H119-C167 HydrophobicContact CB-CB 3.79Å; R161-C167 WeakPolarHBondContact O-CA 3.42Å
168E98.8Very high98.7Very high73 Ų7333.3 Ų33.334%0.34116%0.158SC..EExtended strand (participates in β ladder)trans-120124175.6178.9-170.1163.700108.7L160 R161 L170L160-E168 CarbonylContact C-O 3.54Å; L160-E168 WeakPolarHBondContact CA-O 3.15Å; R161-E168 HydrophobicContact CB-CB 4.25Å; R161-E168 IonicContact CZ-OE2 3.52Å; R161-E168 PolarHBondContact N-O 3.41Å; R161-E168 IonicContact NE-OE2 3.24Å; R161-E168 PolarHBondContact NE-OE2 3.38Å; R161-E168 IonicContact NH2-OE2 2.73Å; R161-E168 PolarHBondContact NH2-OE2 3.14Å; R161-E168 PolarHBondContact O-N 2.87Å; E168-L170 HydrophobicContact CG-CD2 4Å; E168-L170 PolarHBondContact O-N 3.01Å
169H98.7Very high98.7Very high70 Ų7033.2 Ų33.232%0.32416%0.157SC..EExtended strand (participates in β ladder)trans-71123.5175.2-172.6-89.1000111.5W155 E158 L160W155-H169 AromaticContact CE2-CD2 3.57Å; W155-H169 HydrophobicContact CH2-CB 3.92Å; W155-H169 AromaticContact CH2-CD2 3.92Å; W155-H169 HydrophobicContact CZ2-CB 3.83Å; W155-H169 AromaticContact CZ2-CD2 3.45Å; W155-H169 VanDerWaalsContact CZ2-CD2 3.45Å; W155-H169 WeakPolarHBondContact CZ2-CD2 3.36Å; W155-H169 AromaticContact CZ2-CG 3.84Å; W155-H169 AromaticContact NE1-CD2 3.93Å; E158-H169 IonicContact OE2-CD2 3.8Å; E158-H169 IonicContact OE2-CE1 2.73Å; E158-H169 IonicContact OE2-NE2 2.69Å; E158-H169 PolarHBondContact OE2-NE2 3.45Å; L160-H169 HydrophobicContact CD2-CB 4.33Å
170L98.7Very high98.6Very high9 Ų933.9 Ų33.95%0.04716%0.164CC..EExtended strand (participates in β ladder)trans-107.4-23.1-178.6-53.6-176.2000113.2I139 C159 R161 E168 N285 Q325I139-L170 HydrophobicContact CD1-CD1 3.65Å; C159-L170 WeakPolarHBondContact O-CA 3.44Å; C159-L170 VanDerWaalsContact O-CB 3.31Å; C159-L170 WeakPolarHBondContact O-CB 3.35Å; C159-L170 PolarHBondContact O-N 3.43Å; R161-L170 HydrophobicContact CB-CD1 4.08Å; R161-L170 HydrophobicContact CB-CD2 4.31Å; R161-L170 HydrophobicContact CB-CG 4.39Å; E168-L170 HydrophobicContact CG-CD2 4Å; E168-L170 PolarHBondContact O-N 3.01Å; L170-N285 WeakPolarHBondContact O-CB 3.5Å; L170-N285 VanDerWaalsContact O-CG 3.28Å; L170-N285 PolarHBondContact O-ND2 3.25Å; L170-Q325 HydrophobicContact CB-CG 4.25Å; L170-Q325 HydrophobicContact CD1-CB 3.86Å; L170-Q325 HydrophobicContact CD1-CG 3.94Å
171G98.5Very high98.5Very high5 Ų534.3 Ų34.35%0.05217%0.169CC..EExtended strand (participates in β ladder)trans150.7-162.2-173.200000112.6C159 N285C159-G171 PolarHBondContact N-O 3.2Å; C159-G171 PolarHBondContact O-N 2.86Å; G171-N285 CarbonylContact C-O 3.55Å; G171-N285 WeakPolarHBondContact CA-O 3.12Å
172G98.7Very high98.2Very high1 Ų139 Ų391%0.0120%0.197CC..EExtended strand (participates in β ladder)trans143.8-141.7-179.800000113.8G157 N285 Q286 L287G157-G172 CarbonylContact O-C 3.52Å; G157-G172 WeakPolarHBondContact O-CA 3.39Å; G172-N285 PolarHBondContact N-O 3.07Å; G172-Q286 VanDerWaalsContact O-CA 3.23Å; G172-Q286 WeakPolarHBondContact O-CA 3.33Å; G172-L287 PolarHBondContact O-N 2.96Å
173L98.8Very high98.2Very high9 Ų942.5 Ų42.55%0.04722%0.215CC..SBendtrans-72.2146.2172-73.3170.7000111.3G157 S234 C236 F239 L287 L289 F318G157-L173 PolarHBondContact O-N 2.76Å; L173-S234 WeakPolarHBondContact O-CB 3.49Å; L173-C236 HydrophobicContact CD1-CB 3.83Å; L173-F239 HydrophobicContact CD1-CD1 4.31Å; L173-F239 HydrophobicContact CD2-CD1 3.95Å; L173-F239 HydrophobicContact CD2-CE1 4.18Å; L173-L287 HydrophobicContact CD2-CB 4.43Å; L173-L287 HydrophobicContact CD2-CD1 4.04Å; L173-L289 HydrophobicContact CD2-CD1 4.36Å; L173-L289 HydrophobicContact CD2-CD2 4.13Å; L173-F318 HydrophobicContact CD1-CZ 4.3Å; L173-F318 HydrophobicContact CD2-CZ 4.39Å; L173-F318 HydrophobicContact CG-CZ 3.87Å
174P98.7Very high98.1Very high7 Ų741.3 Ų41.35%0.04521%0.209CC..  trans-66.3137.6169.428.2-34.9000111V176 R198 F199 Q286 L287 L289P174-V176 PolarHBondContact O-N 3.41Å; P174-V176 VanDerWaalsContact O-N 3.16Å; P174-R198 PolarHBondContact O-NH2 2.94Å; P174-F199 HydrophobicContact CB-CZ 4.01Å; P174-F199 HydrophobicContact CG-CE1 4.36Å; P174-F199 HydrophobicContact CG-CE2 4.29Å; P174-F199 HydrophobicContact CG-CZ 3.53Å; P174-Q286 VanDerWaalsContact CA-OE1 3.29Å; P174-Q286 VanDerWaalsContact CB-OE1 3.31Å; P174-L287 WeakPolarHBondContact CD-O 3.32Å; P174-L289 HydrophobicContact CG-CD1 3.59Å; P174-L289 HydrophobicContact CG-CG 3.7Å
175A98.8Very high98Very high38 Ų3840 Ų4031%0.31421%0.207SC..  trans-72.6106.1-178.200000112.8R198 L232 A233A175-R198 PolarHBondContact O-NH1 3.03Å; A175-R198 PolarHBondContact O-NH2 2.81Å; A175-L232 HydrophobicContact CB-CB 4.07Å; A175-A233 CarbonylContact C-O 3.59Å; A175-A233 WeakPolarHBondContact CA-O 3.46Å
176V98.8Very high98Very high14 Ų1435 Ų359%0.08519%0.191CC..EExtended strand (participates in β ladder)trans-98.2147.2-175.4-177.90000110P174 A194 R198 F199 L232 A233P174-V176 PolarHBondContact O-N 3.41Å; P174-V176 VanDerWaalsContact O-N 3.16Å; V176-A194 HydrophobicContact CG1-CB 3.54Å; V176-R198 VanDerWaalsContact N-NH2 3.11Å; V176-F199 HydrophobicContact CG2-CE2 3.8Å; V176-F199 HydrophobicContact CG2-CZ 4.41Å; V176-L232 WeakPolarHBondContact O-CA 3.36Å; V176-A233 PolarHBondContact N-O 3.5Å; V176-A233 PolarHBondContact O-N 3.49Å
177A98.7Very high98Very high9 Ų932.2 Ų32.27%0.07418%0.178CC..EExtended strand (participates in β ladder)trans-60.1144.4176.800000112.4P179 A194 I224 A230 P231 L232A177-P179 VanDerWaalsContact O-CD 3.27Å; A177-P179 WeakPolarHBondContact O-CD 3.18Å; A177-A194 VanDerWaalsContact O-CB 3.27Å; A177-A194 WeakPolarHBondContact O-CB 3.3Å; A177-I224 HydrophobicContact CB-CG1 4.33Å; A177-I224 HydrophobicContact CB-CG2 3.69Å; A177-A230 HydrophobicContact CB-CB 4.48Å; A177-P231 CarbonylContact C-O 3.45Å; A177-P231 WeakPolarHBondContact CA-O 3.27Å; A177-L232 HydrophobicContact CB-CD2 3.92Å
178L98.6Very high98Very high14 Ų1431.3 Ų31.37%0.07317%0.172CC..  trans-102.588.3171.4-58.1-175.4000109.8I146 L154 G180 G181 A184 A230 P231 A233 R238I146-L178 HydrophobicContact CD1-CD1 3.7Å; I146-L178 HydrophobicContact CG1-CD1 4.25Å; L154-L178 HydrophobicContact CD1-CD1 4.34Å; L178-G180 PolarHBondContact O-N 3.26Å; L178-G181 PolarHBondContact O-N 2.96Å; L178-A184 HydrophobicContact CB-CB 3.9Å; L178-A184 HydrophobicContact CD2-CB 4.34Å; L178-A230 WeakPolarHBondContact O-CA 3.45Å; L178-P231 HydrophobicContact CB-CG 4.24Å; L178-P231 HydrophobicContact CD1-CG 4.35Å; L178-P231 PolarHBondContact N-O 3.16Å; L178-A233 HydrophobicContact CD1-CB 3.81Å; L178-A233 HydrophobicContact CD2-CB 4.1Å; L178-A233 HydrophobicContact CG-CB 3.95Å; L178-R238 HydrophobicContact CD2-CB 4.29Å; L178-R238 HydrophobicContact CD2-CG 3.67Å
179P98.2Very high98Very high0 Ų028.9 Ų28.90%016%0.16CC..THydrogen-bonded Turntrans-72.2110.4-164.7-18.835.2000111.8A177 R190 A194 L220 I224A177-P179 VanDerWaalsContact O-CD 3.27Å; A177-P179 WeakPolarHBondContact O-CD 3.18Å; P179-R190 HydrophobicContact CG-CB 4.46Å; P179-R190 WeakPolarHBondContact CG-O 3.02Å; P179-R190 VanDerWaalsContact O-CD 3.3Å; P179-R190 WeakPolarHBondContact O-CD 3.44Å; P179-R190 PolarHBondContact O-NH1 3.02Å; P179-A194 HydrophobicContact CG-CB 3.77Å; P179-L220 HydrophobicContact CB-CD1 3.75Å; P179-L220 HydrophobicContact CB-CD2 3.74Å; P179-L220 HydrophobicContact CB-CG 3.63Å; P179-I224 HydrophobicContact CB-CD1 3.83Å; P179-I224 HydrophobicContact CB-CG1 3.96Å; P179-I224 HydrophobicContact CG-CD1 3.59Å; P179-I224 HydrophobicContact CG-CG1 4.01Å
180G97Very high97.9Very high13 Ų1327 Ų2713%0.13415%0.15CC..THydrogen-bonded Turntrans91.416.7-173.600000114.3L178 D182 L183 N229L178-G180 PolarHBondContact O-N 3.26Å; G180-D182 PolarHBondContact O-N 2.9Å; G180-L183 PolarHBondContact O-N 2.9Å; G180-N229 VanDerWaalsContact C-ND2 3.25Å; G180-N229 CarbonylContact C-O 3.48Å; G180-N229 VanDerWaalsContact CA-O 3.22Å; G180-N229 WeakPolarHBondContact CA-O 3.3Å; G180-N229 PolarHBondContact N-O 3.05Å; G180-N229 PolarHBondContact O-ND2 3.02Å
181G95.6Very high97.9Very high10 Ų1026.7 Ų26.710%0.10315%0.148CC..THydrogen-bonded Turntrans61-121.6177.500000111.2L178 L183 A184 N229L178-G181 PolarHBondContact O-N 2.96Å; G181-L183 PolarHBondContact O-N 2.73Å; G181-A184 WeakPolarHBondContact O-CB 3.33Å; G181-A184 PolarHBondContact O-N 2.99Å; G181-N229 PolarHBondContact N-O 2.8Å; G181-N229 VanDerWaalsContact N-O 3.08Å
182D94.2Very high97.9Very high138 Ų13826.5 Ų26.574%0.73815%0.146SC*.THydrogen-bonded Turntrans-54.8-26.7-178.4-54.6-18.5000114.1G180 A184 A185G180-D182 PolarHBondContact O-N 2.9Å; D182-A184 PolarHBondContact O-N 3.35Å; D182-A185 PolarHBondContact O-N 3.06Å; D182-A185 VanDerWaalsContact O-N 3.17Å
183L97.4Very high97.9Very high73 Ų7326.4 Ų26.438%0.38215%0.145SC..Hα-helixtrans-63.5-25.1175.7-68176.5000112.5G180 G181 A185 K186 Q187 R190G180-L183 PolarHBondContact O-N 2.9Å; G181-L183 PolarHBondContact O-N 2.73Å; L183-A185 PolarHBondContact O-N 2.91Å; L183-K186 PolarHBondContact O-N 2.93Å; L183-K186 VanDerWaalsContact O-N 3.08Å; L183-Q187 WeakPolarHBondContact O-CB 3.45Å; L183-Q187 PolarHBondContact O-N 2.85Å; L183-R190 WeakPolarHBondContact O-CD 3.46Å
184A98Very high97.9Very high1 Ų126.2 Ų26.21%0.00815%0.145CC..Hα-helixtrans-63.3-28.8176.500000112.5L178 G181 D182 N191L178-A184 HydrophobicContact CB-CB 3.9Å; L178-A184 HydrophobicContact CD2-CB 4.34Å; G181-A184 WeakPolarHBondContact O-CB 3.33Å; G181-A184 PolarHBondContact O-N 2.99Å; D182-A184 PolarHBondContact O-N 3.35Å; A184-N191 PolarHBondContact O-ND2 3Å
185A96.9Very high97.9Very high15 Ų1526.2 Ų26.212%0.12414%0.144CC..Hα-helixtrans-79.6-19.6174.300000113.4D182 L183 E257D182-A185 PolarHBondContact O-N 3.06Å; D182-A185 VanDerWaalsContact O-N 3.17Å; L183-A185 PolarHBondContact O-N 2.91Å; A185-E257 WeakPolarHBondContact CB-OE2 3.48Å
186K97.9Very high97.9Very high118 Ų11824.5 Ų24.551%0.51313%0.13SC..Hα-helixtrans-99.9-21.5-177.7-60.9-177.5-178-179.90113.6L183 T253 L254L183-K186 PolarHBondContact O-N 2.93Å; L183-K186 VanDerWaalsContact O-N 3.08Å; K186-T253 CarbonylContact O-C 3.47Å; K186-T253 WeakPolarHBondContact O-CA 3.49Å; K186-L254 PolarHBondContact O-N 2.95Å
187Q98.1Very high97.9Very high38 Ų3826.9 Ų26.918%0.17814%0.142CC..  trans-130.890.2-171.9-69.6-174.6-22.300110.2L183 W189 R190 T253L183-Q187 WeakPolarHBondContact O-CB 3.45Å; L183-Q187 PolarHBondContact O-N 2.85Å; Q187-W189 PolarHBondContact O-N 2.96Å; Q187-R190 HydrophobicContact CB-CG 4.06Å; Q187-R190 WeakPolarHBondContact O-CB 3.42Å; Q187-R190 WeakPolarHBondContact O-CG 3.38Å; Q187-R190 PolarHBondContact O-N 3.41Å; Q187-R190 VanDerWaalsContact OE1-CZ 3.26Å; Q187-T253 HydrophobicContact CG-CG2 4.26Å; Q187-T253 PolarHBondContact NE2-OG1 3.34Å
188P98.4Very high97.9Very high3 Ų331.9 Ų31.92%0.01916%0.159CC..THydrogen-bonded Turntrans-54.1-34-170-31.437.4000115.1R190 N191 L192 D241 A245 L254 A260P188-R190 PolarHBondContact O-N 3.4Å; P188-R190 VanDerWaalsContact O-N 3.11Å; P188-N191 WeakPolarHBondContact O-CB 3.27Å; P188-N191 PolarHBondContact O-N 3.29Å; P188-L192 PolarHBondContact O-N 3.35Å; P188-D241 HydrophobicContact CB-CB 4.05Å; P188-D241 WeakPolarHBondContact CB-O 3.42Å; P188-A245 HydrophobicContact CB-CB 3.81Å; P188-L254 HydrophobicContact CG-CD1 3.93Å; P188-L254 HydrophobicContact CG-CD2 3.78Å; P188-L254 HydrophobicContact CG-CG 3.85Å; P188-A260 HydrophobicContact CG-CB 3.91Å
189W98.3Very high97.9Very high22 Ų2232.7 Ų32.78%0.08316%0.162CC..Hα-helixtrans-59.1-24178.568.6-100000113.4Q187 N191 L192 L193 V212 Q215 L220Q187-W189 PolarHBondContact O-N 2.96Å; W189-N191 VanDerWaalsContact C-N 3.33Å; W189-L192 PolarHBondContact O-N 2.88Å; W189-L193 HydrophobicContact CZ3-CD2 4.39Å; W189-L193 PolarHBondContact O-N 3.43Å; W189-V212 HydrophobicContact CB-CG2 4.04Å; W189-Q215 HydrophobicContact CD2-CG 3.9Å; W189-Q215 HydrophobicContact CE3-CB 4.44Å; W189-Q215 HydrophobicContact CE3-CG 3.88Å; W189-Q215 HydrophobicContact CH2-CB 4.09Å; W189-Q215 HydrophobicContact CH2-CG 3.97Å; W189-Q215 HydrophobicContact CZ2-CG 3.96Å; W189-Q215 HydrophobicContact CZ3-CB 4.05Å; W189-Q215 HydrophobicContact CZ3-CG 3.92Å; W189-L220 HydrophobicContact CH2-CD2 3.81Å; W189-L220 HydrophobicContact CZ3-CD2 3.78Å
190R98.5Very high97.9Very high29 Ų2933.2 Ų33.211%0.10917%0.165CC..Hα-helixtrans-65.5-39.3175.6-66.9174.5173.8-84.4-9.5111.5P179 L183 Q187 P188 L193 A194 L220P179-R190 HydrophobicContact CG-CB 4.46Å; P179-R190 WeakPolarHBondContact CG-O 3.02Å; P179-R190 VanDerWaalsContact O-CD 3.3Å; P179-R190 WeakPolarHBondContact O-CD 3.44Å; P179-R190 PolarHBondContact O-NH1 3.02Å; L183-R190 WeakPolarHBondContact O-CD 3.46Å; Q187-R190 HydrophobicContact CB-CG 4.06Å; Q187-R190 WeakPolarHBondContact O-CB 3.42Å; Q187-R190 WeakPolarHBondContact O-CG 3.38Å; Q187-R190 PolarHBondContact O-N 3.41Å; Q187-R190 VanDerWaalsContact OE1-CZ 3.26Å; P188-R190 PolarHBondContact O-N 3.4Å; P188-R190 VanDerWaalsContact O-N 3.11Å; R190-L193 WeakPolarHBondContact O-CB 3.13Å; R190-L193 PolarHBondContact O-N 3.48Å; R190-A194 PolarHBondContact O-N 3.42Å; R190-L220 HydrophobicContact CG-CD2 4.39Å
191N98.7Very high98Very high4 Ų437.6 Ų37.62%0.02119%0.191CC..Hα-helixtrans-71.7-39.7178.1-52.1-55.2000110.2A184 P188 W189 L193 A194 Q195 R238 D241 A242A184-N191 PolarHBondContact O-ND2 3Å; P188-N191 WeakPolarHBondContact O-CB 3.27Å; P188-N191 PolarHBondContact O-N 3.29Å; W189-N191 VanDerWaalsContact C-N 3.33Å; N191-L193 VanDerWaalsContact C-N 3.35Å; N191-L193 PolarHBondContact O-N 3.35Å; N191-A194 PolarHBondContact O-N 3.21Å; N191-Q195 WeakPolarHBondContact O-CB 3.2Å; N191-Q195 WeakPolarHBondContact O-CG 3.37Å; N191-Q195 PolarHBondContact O-N 3.35Å; N191-R238 HydrophobicContact CB-CB 4.43Å; N191-R238 VanDerWaalsContact CB-O 3.23Å; N191-R238 WeakPolarHBondContact CB-O 3.5Å; N191-D241 HydrophobicContact CB-CB 4.49Å; N191-D241 VanDerWaalsContact ND2-CB 3.35Å; N191-D241 WeakPolarHBondContact ND2-CB 3.27Å; N191-A242 HydrophobicContact CB-CB 3.89Å
192L98.8Very high98Very high0 Ų044 Ų440%022%0.218CC..Hα-helixtrans-59.7-44.1171.6-178.959.2000111.7P188 W189 A194 Q195 C196 V212 A242 A245 A246 W293P188-L192 PolarHBondContact O-N 3.35Å; W189-L192 PolarHBondContact O-N 2.88Å; L192-A194 PolarHBondContact O-N 2.56Å; L192-Q195 PolarHBondContact O-N 2.92Å; L192-C196 VanDerWaalsContact O-CB 3.28Å; L192-C196 WeakPolarHBondContact O-CB 3.49Å; L192-C196 PolarHBondContact O-N 3.47Å; L192-C196 PolarHBondContact O-SG 2.55Å; L192-V212 HydrophobicContact CB-CG2 4.25Å; L192-V212 HydrophobicContact CD2-CG2 3.92Å; L192-V212 HydrophobicContact CG-CG2 4.11Å; L192-A242 HydrophobicContact CB-CB 4.36Å; L192-A245 HydrophobicContact CB-CB 4.08Å; L192-A245 HydrophobicContact CD2-CB 4.16Å; L192-A246 HydrophobicContact CD1-CB 4.07Å; L192-A246 HydrophobicContact CD2-CB 3.98Å; L192-W293 HydrophobicContact CD1-CH2 3.88Å; L192-W293 HydrophobicContact CD1-CZ2 4.47Å; L192-W293 HydrophobicContact CD1-CZ3 4.18Å
193L98.6Very high98.2Very high0 Ų038.3 Ų38.30%019%0.187CC..Hα-helixtrans-57.4-49.8174175.164.6000111.3W189 R190 N191 Q195 C196 L197 W203 V212 W217 L220 V221W189-L193 HydrophobicContact CZ3-CD2 4.39Å; W189-L193 PolarHBondContact O-N 3.43Å; R190-L193 WeakPolarHBondContact O-CB 3.13Å; R190-L193 PolarHBondContact O-N 3.48Å; N191-L193 VanDerWaalsContact C-N 3.35Å; N191-L193 PolarHBondContact O-N 3.35Å; L193-Q195 VanDerWaalsContact C-N 3.33Å; L193-Q195 PolarHBondContact O-N 2.9Å; L193-C196 PolarHBondContact O-N 2.88Å; L193-L197 HydrophobicContact CD1-CD1 3.84Å; L193-L197 HydrophobicContact CD1-CD2 4.33Å; L193-L197 HydrophobicContact CD1-CG 3.91Å; L193-L197 HydrophobicContact CG-CD1 3.83Å; L193-L197 HydrophobicContact CG-CG 4.32Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 2.97Å; L193-W203 HydrophobicContact CD1-CH2 4.13Å; L193-W203 HydrophobicContact CD1-CZ2 4.04Å; L193-V212 HydrophobicContact CB-CG1 3.85Å; L193-V212 HydrophobicContact CD1-CG1 3.77Å; L193-V212 HydrophobicContact CG-CG1 4.27Å; L193-W217 HydrophobicContact CD1-CB 4.13Å; L193-W217 HydrophobicContact CD2-CB 4.11Å; L193-L220 HydrophobicContact CD2-CB 4.09Å; L193-L220 HydrophobicContact CD2-CD2 3.8Å; L193-L220 HydrophobicContact CD2-CG 4.1Å; L193-V221 HydrophobicContact CD1-CG2 4.49Å
194A98.7Very high98.2Very high4 Ų439 Ų393%0.03319%0.188CC..Hα-helixtrans-62.5-40.7-17800000112.5V176 A177 P179 R190 N191 L192 R198V176-A194 HydrophobicContact CG1-CB 3.54Å; A177-A194 VanDerWaalsContact O-CB 3.27Å; A177-A194 WeakPolarHBondContact O-CB 3.3Å; P179-A194 HydrophobicContact CG-CB 3.77Å; R190-A194 PolarHBondContact O-N 3.42Å; N191-A194 PolarHBondContact O-N 3.21Å; L192-A194 PolarHBondContact O-N 2.56Å; A194-R198 WeakPolarHBondContact O-CB 3.4Å; A194-R198 PolarHBondContact O-N 3.24Å
195Q98.8Very high98.2Very high8 Ų844.6 Ų44.64%0.03722%0.218CC..Hα-helixtrans-62.2-49.8174-70.3-77.3-1.500111N191 L192 L193 L197 R198 F199 A242 W293N191-Q195 WeakPolarHBondContact O-CB 3.2Å; N191-Q195 WeakPolarHBondContact O-CG 3.37Å; N191-Q195 PolarHBondContact O-N 3.35Å; L192-Q195 PolarHBondContact O-N 2.92Å; L193-Q195 VanDerWaalsContact C-N 3.33Å; L193-Q195 PolarHBondContact O-N 2.9Å; Q195-L197 PolarHBondContact O-N 3.44Å; Q195-R198 PolarHBondContact O-N 3.05Å; Q195-F199 WeakPolarHBondContact O-CB 3.42Å; Q195-F199 WeakPolarHBondContact O-CD2 3.48Å; Q195-F199 PolarHBondContact O-N 3.02Å; Q195-F199 VanDerWaalsContact OE1-CE2 3.24Å; Q195-A242 HydrophobicContact CG-CB 3.87Å; Q195-W293 HydrophobicContact CB-CZ2 3.84Å; Q195-W293 HydrophobicContact CG-CZ2 3.94Å
196C98.7Very high98.2Very high1 Ų146.2 Ų46.21%0.00722%0.221CC..Hα-helixtrans-58.4-47.9179.2-78.80000112.8L192 L193 R198 V200 W203L192-C196 VanDerWaalsContact O-CB 3.28Å; L192-C196 WeakPolarHBondContact O-CB 3.49Å; L192-C196 PolarHBondContact O-N 3.47Å; L192-C196 PolarHBondContact O-SG 2.55Å; L193-C196 PolarHBondContact O-N 2.88Å; C196-R198 PolarHBondContact O-N 3.47Å; C196-V200 HydrophobicContact CB-CB 4.41Å; C196-V200 PolarHBondContact O-N 3.11Å; C196-W203 HydrophobicContact CB-CB 3.59Å; C196-W203 HydrophobicContact CB-CD2 3.98Å; C196-W203 HydrophobicContact CB-CE3 4.4Å; C196-W203 HydrophobicContact CB-CG 3.63Å
197L98.3Very high98.2Very high65 Ų6545.2 Ų45.234%0.3423%0.229SC..Hα-helixtrans-60.6-31.3179.7-69.3168.5000112.8L193 Q195 V221 I224L193-L197 HydrophobicContact CD1-CD1 3.84Å; L193-L197 HydrophobicContact CD1-CD2 4.33Å; L193-L197 HydrophobicContact CD1-CG 3.91Å; L193-L197 HydrophobicContact CG-CD1 3.83Å; L193-L197 HydrophobicContact CG-CG 4.32Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.43Å; L193-L197 PolarHBondContact O-N 2.97Å; Q195-L197 PolarHBondContact O-N 3.44Å; L197-V221 HydrophobicContact CD1-CB 4.42Å; L197-V221 HydrophobicContact CD1-CG2 3.68Å; L197-V221 HydrophobicContact CD2-CG1 4.35Å; L197-V221 HydrophobicContact CD2-CG2 3.66Å; L197-V221 HydrophobicContact CG-CG2 4.27Å; L197-I224 HydrophobicContact CD1-CD1 3.72Å
198R98.5Very high98.2Very high114 Ų11444.4 Ų44.443%0.4323%0.225SC..Hα-helixtrans-96.1-25.7-173.5-157-114.2-76.8-113.613113.5P174 A175 V176 A194 Q195 C196P174-R198 PolarHBondContact O-NH2 2.94Å; A175-R198 PolarHBondContact O-NH1 3.03Å; A175-R198 PolarHBondContact O-NH2 2.81Å; V176-R198 VanDerWaalsContact N-NH2 3.11Å; A194-R198 WeakPolarHBondContact O-CB 3.4Å; A194-R198 PolarHBondContact O-N 3.24Å; Q195-R198 PolarHBondContact O-N 3.05Å; C196-R198 PolarHBondContact O-N 3.47Å
199F98.7Very high98.1Very high30 Ų3044.3 Ų44.313%0.13222%0.224CC..Hα-helixtrans-131.2-13.8-169.2-60.2-61.9000115.7P174 V176 Q195 P201 L289 A290P174-F199 HydrophobicContact CB-CZ 4.01Å; P174-F199 HydrophobicContact CG-CE1 4.36Å; P174-F199 HydrophobicContact CG-CE2 4.29Å; P174-F199 HydrophobicContact CG-CZ 3.53Å; V176-F199 HydrophobicContact CG2-CE2 3.8Å; V176-F199 HydrophobicContact CG2-CZ 4.41Å; Q195-F199 WeakPolarHBondContact O-CB 3.42Å; Q195-F199 WeakPolarHBondContact O-CD2 3.48Å; Q195-F199 PolarHBondContact O-N 3.02Å; Q195-F199 VanDerWaalsContact OE1-CE2 3.24Å; F199-P201 WeakPolarHBondContact O-CD 3.27Å; F199-L289 HydrophobicContact CD1-CB 4.21Å; F199-L289 HydrophobicContact CD2-CB 3.87Å; F199-L289 HydrophobicContact CD2-CD1 4.49Å; F199-L289 HydrophobicContact CE1-CB 4.11Å; F199-L289 HydrophobicContact CE2-CB 3.76Å; F199-L289 HydrophobicContact CE2-CD1 3.81Å; F199-L289 HydrophobicContact CE2-CG 4.28Å; F199-L289 HydrophobicContact CG-CB 4.08Å; F199-L289 HydrophobicContact CZ-CB 3.87Å; F199-L289 HydrophobicContact CZ-CD1 4.15Å; F199-L289 HydrophobicContact CZ-CG 4.3Å; F199-A290 HydrophobicContact CB-CB 4.37Å; F199-A290 HydrophobicContact CD1-CB 4.22Å
200V98.6Very high98Very high11 Ų1145.2 Ų45.27%0.06724%0.237CC..  trans-119.2100.2-170.5-172.10000110.7C196 E202 W203 Y206 W293 L297C196-V200 HydrophobicContact CB-CB 4.41Å; C196-V200 PolarHBondContact O-N 3.11Å; V200-E202 PolarHBondContact O-N 3.13Å; V200-W203 HydrophobicContact CB-CB 3.94Å; V200-W203 HydrophobicContact CG1-CB 3.8Å; V200-W203 PolarHBondContact O-N 3.07Å; V200-Y206 HydrophobicContact CG1-CD2 4.12Å; V200-Y206 HydrophobicContact CG1-CE2 3.78Å; V200-W293 HydrophobicContact CG2-CB 3.51Å; V200-W293 HydrophobicContact CG2-CD2 4.43Å; V200-W293 HydrophobicContact CG2-CG 3.79Å; V200-L297 HydrophobicContact CG1-CD1 3.75Å; V200-L297 HydrophobicContact CG2-CD1 4.16Å
201P97.9Very high97.6Very high106 Ų10646 Ų4669%0.68825%0.246SC*.THydrogen-bonded Turntrans-56.3139.3168.6-22.933.7000110.7F199 W203F199-P201 WeakPolarHBondContact O-CD 3.27Å; P201-W203 PolarHBondContact O-N 2.76Å; P201-W203 VanDerWaalsContact O-N 3.11Å
202E96.7Very high97.6Very high145 Ų14545.9 Ų45.968%0.67825%0.246SC*.THydrogen-bonded Turntrans52.934.2176.9-58.5179.6-143.500113.9V200 Q204 N205V200-E202 PolarHBondContact O-N 3.13Å; E202-Q204 PolarHBondContact O-N 2.82Å; E202-N205 WeakPolarHBondContact O-CB 3.24Å; E202-N205 PolarHBondContact O-N 2.9Å; E202-N205 PolarHBondContact OE2-ND2 2.97Å
203W98Very high97.4Very high18 Ų1849.4 Ų49.47%0.06826%0.262CS..G310 helixtrans-52.3-27-174.665.4-97000115.3L193 C196 V200 P201 N205 Y206 T209 V212 Q213 W217L193-W203 HydrophobicContact CD1-CH2 4.13Å; L193-W203 HydrophobicContact CD1-CZ2 4.04Å; C196-W203 HydrophobicContact CB-CB 3.59Å; C196-W203 HydrophobicContact CB-CD2 3.98Å; C196-W203 HydrophobicContact CB-CE3 4.4Å; C196-W203 HydrophobicContact CB-CG 3.63Å; V200-W203 HydrophobicContact CB-CB 3.94Å; V200-W203 HydrophobicContact CG1-CB 3.8Å; V200-W203 PolarHBondContact O-N 3.07Å; P201-W203 PolarHBondContact O-N 2.76Å; P201-W203 VanDerWaalsContact O-N 3.11Å; W203-N205 PolarHBondContact O-N 3.01Å; W203-Y206 PolarHBondContact O-N 2.82Å; W203-T209 HydrophobicContact CE3-CG2 4.06Å; W203-T209 WeakPolarHBondContact O-CG2 3.32Å; W203-T209 PolarHBondContact O-OG1 3.01Å; W203-V212 HydrophobicContact CH2-CG1 3.98Å; W203-V212 HydrophobicContact CZ3-CB 4.26Å; W203-V212 HydrophobicContact CZ3-CG1 3.84Å; W203-Q213 HydrophobicContact CH2-CG 4.43Å; W203-Q213 HydrophobicContact CZ3-CG 3.85Å; W203-W217 AromaticContact CH2-CD2 3.81Å; W203-W217 HydrophobicContact CH2-CD2 3.81Å; W203-W217 AromaticContact CH2-CE2 3.96Å; W203-W217 HydrophobicContact CH2-CE3 4.19Å; W203-W217 HydrophobicContact CH2-CG 4.04Å; W203-W217 HydrophobicContact CH2-CZ2 4.47Å; W203-W217 AromaticContact CZ2-CD2 3.96Å; W203-W217 HydrophobicContact CZ2-CD2 3.96Å; W203-W217 AromaticContact CZ2-CE3 3.85Å; W203-W217 HydrophobicContact CZ2-CE3 3.85Å; W203-W217 HydrophobicContact CZ2-CH2 4.32Å; W203-W217 HydrophobicContact CZ2-CZ2 4.41Å; W203-W217 HydrophobicContact CZ2-CZ3 4.05Å
204Q97.4Very high97.2Very high87 Ų8756.8 Ų56.841%0.40730%0.297SS..G310 helixtrans-65.3-17.7177.1-66.4172.675.100112.9E202 Y206 Q213 W217E202-Q204 PolarHBondContact O-N 2.82Å; Q204-Y206 VanDerWaalsContact C-N 3.35Å; Q204-Q213 PolarHBondContact O-NE2 2.99Å; Q204-Q213 PolarHBondContact O-OE1 3.05Å; Q204-W217 VanDerWaalsContact OE1-CZ2 3.32Å
205N97.3Very high97Very high119 Ų11960.2 Ų60.264%0.63631%0.312SS*.G310 helixtrans-82.4-12.7179.8-65.9-12.7000113.1E202 W203E202-N205 WeakPolarHBondContact O-CB 3.24Å; E202-N205 PolarHBondContact O-N 2.9Å; E202-N205 PolarHBondContact OE2-ND2 2.97Å; W203-N205 PolarHBondContact O-N 3.01Å
206Y97.9Very high96.6Very high49 Ų4965.3 Ų65.319%0.19234%0.34CS..SBendtrans-86.9133.2178.3-66.9-84.2000111.5V200 W203 Q204 E208 T209 L297 N298V200-Y206 HydrophobicContact CG1-CD2 4.12Å; V200-Y206 HydrophobicContact CG1-CE2 3.78Å; W203-Y206 PolarHBondContact O-N 2.82Å; Q204-Y206 VanDerWaalsContact C-N 3.35Å; Y206-E208 PolarHBondContact O-N 3.42Å; Y206-T209 PolarHBondContact O-N 3.2Å; Y206-T209 VanDerWaalsContact O-N 3.11Å; Y206-T209 PolarHBondContact O-OG1 2.84Å; Y206-L297 HydrophobicContact CD1-CB 3.69Å; Y206-L297 HydrophobicContact CD1-CD1 4.28Å; Y206-L297 HydrophobicContact CD1-CD2 4.43Å; Y206-L297 HydrophobicContact CD1-CG 4.36Å; Y206-L297 HydrophobicContact CD2-CD1 4.09Å; Y206-L297 HydrophobicContact CE1-CB 3.57Å; Y206-L297 HydrophobicContact CE1-CD1 4.37Å; Y206-L297 HydrophobicContact CE2-CD1 4.18Å; Y206-L297 HydrophobicContact CG-CB 4.36Å; Y206-L297 HydrophobicContact CG-CD1 4.12Å; Y206-L297 HydrophobicContact CG-CD2 4.49Å; Y206-N298 PolarHBondContact OH-ND2 2.83Å; Y206-N298 VanDerWaalsContact OH-ND2 3.07Å
207S97Very high96.5Very high97 Ų9768.2 Ų68.268%0.67835%0.35SS*.G310 helixtrans-60.4-30.7179.761.80000113.3T209 A210S207-T209 PolarHBondContact O-N 3.32Å; S207-A210 WeakPolarHBondContact O-CB 3.43Å; S207-A210 PolarHBondContact O-N 3.04Å; S207-A210 VanDerWaalsContact O-N 3.09Å
208E97.7Very high96.3Very high21 Ų2167.6 Ų67.610%0.09835%0.352CS..G310 helixtrans-64.2-20.9179.4-67.686.9155.900112.5Y206 A246 L297 R306Y206-E208 PolarHBondContact O-N 3.42Å; E208-A246 HydrophobicContact CB-CB 4.11Å; E208-A246 WeakPolarHBondContact CB-O 3.39Å; E208-L297 HydrophobicContact CB-CD2 4.01Å; E208-L297 HydrophobicContact CG-CD2 4.14Å; E208-R306 IonicContact OE1-CZ 3.88Å; E208-R306 VanDerWaalsContact OE1-CZ 3.24Å; E208-R306 IonicContact OE1-NH1 3.25Å; E208-R306 PolarHBondContact OE1-NH1 3.19Å; E208-R306 IonicContact OE1-NH2 3.14Å; E208-R306 PolarHBondContact OE1-NH2 3.42Å
209T98Very high96.2Very high0 Ų065.5 Ų65.50%035%0.352CS..G310 helixtrans-94.34.1178.372.70000112.8W203 Y206 S207 S211 V212 Q213W203-T209 HydrophobicContact CE3-CG2 4.06Å; W203-T209 WeakPolarHBondContact O-CG2 3.32Å; W203-T209 PolarHBondContact O-OG1 3.01Å; Y206-T209 PolarHBondContact O-N 3.2Å; Y206-T209 VanDerWaalsContact O-N 3.11Å; Y206-T209 PolarHBondContact O-OG1 2.84Å; S207-T209 PolarHBondContact O-N 3.32Å; T209-S211 PolarHBondContact O-N 3.2Å; T209-V212 WeakPolarHBondContact O-CA 3.45Å; T209-V212 WeakPolarHBondContact O-CB 3.47Å; T209-V212 PolarHBondContact O-N 3.1Å; T209-Q213 WeakPolarHBondContact O-CG 3.21Å; T209-Q213 PolarHBondContact O-N 2.88Å; T209-Q213 PolarHBondContact OG1-NE2 2.8Å
210A95.4Very high96Very high42 Ų4265.3 Ų65.335%0.34735%0.352SS..Hα-helixtrans-55.9-37.7-178.300000112.9S207 V212 Q213 Q214S207-A210 WeakPolarHBondContact O-CB 3.43Å; S207-A210 PolarHBondContact O-N 3.04Å; S207-A210 VanDerWaalsContact O-N 3.09Å; A210-V212 VanDerWaalsContact C-N 3.31Å; A210-V212 PolarHBondContact O-N 3.12Å; A210-Q213 PolarHBondContact O-N 2.89Å; A210-Q214 WeakPolarHBondContact O-CG 3.5Å; A210-Q214 PolarHBondContact O-N 3.44Å; A210-Q214 VanDerWaalsContact O-N 3.1Å
211S91.1Very high96Very high45 Ų4565.7 Ų65.732%0.31535%0.354SS..Hα-helixtrans-63.7-35.517762.10000112.8T209 Q215T209-S211 PolarHBondContact O-N 3.2Å; S211-Q215 WeakPolarHBondContact O-CG 3.22Å
212V96.8Very high95.9Very high1 Ų167.7 Ų67.71%0.00635%0.348CS..Hα-helixtrans-71.3-42.6174.2179.20000110.3W189 L192 L193 W203 T209 A210 Q214 Q215 W217W189-V212 HydrophobicContact CB-CG2 4.04Å; L192-V212 HydrophobicContact CB-CG2 4.25Å; L192-V212 HydrophobicContact CD2-CG2 3.92Å; L192-V212 HydrophobicContact CG-CG2 4.11Å; L193-V212 HydrophobicContact CB-CG1 3.85Å; L193-V212 HydrophobicContact CD1-CG1 3.77Å; L193-V212 HydrophobicContact CG-CG1 4.27Å; W203-V212 HydrophobicContact CH2-CG1 3.98Å; W203-V212 HydrophobicContact CZ3-CB 4.26Å; W203-V212 HydrophobicContact CZ3-CG1 3.84Å; T209-V212 WeakPolarHBondContact O-CA 3.45Å; T209-V212 WeakPolarHBondContact O-CB 3.47Å; T209-V212 PolarHBondContact O-N 3.1Å; A210-V212 VanDerWaalsContact C-N 3.31Å; A210-V212 PolarHBondContact O-N 3.12Å; V212-Q214 PolarHBondContact O-N 2.83Å; V212-Q215 WeakPolarHBondContact O-CB 3.5Å; V212-Q215 PolarHBondContact O-N 2.94Å; V212-W217 HydrophobicContact CG1-CB 4.27Å
213Q95.6Very high96Very high74 Ų7461.8 Ų61.835%0.34632%0.324SS..Hα-helixtrans-64.1-26-179.3-67179.955.200113.1W203 Q204 T209 A210 Q215W203-Q213 HydrophobicContact CH2-CG 4.43Å; W203-Q213 HydrophobicContact CZ3-CG 3.85Å; Q204-Q213 PolarHBondContact O-NE2 2.99Å; Q204-Q213 PolarHBondContact O-OE1 3.05Å; T209-Q213 WeakPolarHBondContact O-CG 3.21Å; T209-Q213 PolarHBondContact O-N 2.88Å; T209-Q213 PolarHBondContact OG1-NE2 2.8Å; A210-Q213 PolarHBondContact O-N 2.89Å; Q213-Q215 PolarHBondContact O-N 2.97Å
214Q93.5Very high96Very high156 Ų15662.7 Ų62.773%0.72933%0.33SS*.THydrogen-bonded Turntrans-74-12.6172.8-70.1171.311.600113.6A210 V212A210-Q214 WeakPolarHBondContact O-CG 3.5Å; A210-Q214 PolarHBondContact O-N 3.44Å; A210-Q214 VanDerWaalsContact O-N 3.1Å; V212-Q214 PolarHBondContact O-N 2.83Å
215Q94.7Very high96Very high75 Ų7565.7 Ų65.735%0.3534%0.344SS..SBendtrans-89.1164.1176.3-52.6-56.8-40.100111.4W189 S211 V212 Q213 W217W189-Q215 HydrophobicContact CD2-CG 3.9Å; W189-Q215 HydrophobicContact CE3-CB 4.44Å; W189-Q215 HydrophobicContact CE3-CG 3.88Å; W189-Q215 HydrophobicContact CH2-CB 4.09Å; W189-Q215 HydrophobicContact CH2-CG 3.97Å; W189-Q215 HydrophobicContact CZ2-CG 3.96Å; W189-Q215 HydrophobicContact CZ3-CB 4.05Å; W189-Q215 HydrophobicContact CZ3-CG 3.92Å; S211-Q215 WeakPolarHBondContact O-CG 3.22Å; V212-Q215 WeakPolarHBondContact O-CB 3.5Å; V212-Q215 PolarHBondContact O-N 2.94Å; Q213-Q215 PolarHBondContact O-N 2.97Å; Q215-W217 VanDerWaalsContact O-CD1 3.24Å; Q215-W217 PolarHBondContact O-N 3.03Å
216N91.1Very high96Very high116 Ų11669.2 Ų69.262%0.6235%0.348SS*.  trans-77.759.4168.3-166.92.6000111.5S218 V219N216-S218 VanDerWaalsContact C-N 3.26Å; N216-S218 PolarHBondContact O-N 3.29Å; N216-S218 PolarHBondContact OD1-OG 3.41Å; N216-V219 PolarHBondContact O-N 3Å
217W95.5Very high95.9Very high61 Ų6169.4 Ų69.423%0.23137%0.365CS..Hα-helixtrans-62.8-29.3-171.358.2-98.4000112.9L193 W203 Q204 V212 Q215 V219 L220 V221L193-W217 HydrophobicContact CD1-CB 4.13Å; L193-W217 HydrophobicContact CD2-CB 4.11Å; W203-W217 AromaticContact CH2-CD2 3.81Å; W203-W217 HydrophobicContact CH2-CD2 3.81Å; W203-W217 AromaticContact CH2-CE2 3.96Å; W203-W217 HydrophobicContact CH2-CE3 4.19Å; W203-W217 HydrophobicContact CH2-CG 4.04Å; W203-W217 HydrophobicContact CH2-CZ2 4.47Å; W203-W217 AromaticContact CZ2-CD2 3.96Å; W203-W217 HydrophobicContact CZ2-CD2 3.96Å; W203-W217 AromaticContact CZ2-CE3 3.85Å; W203-W217 HydrophobicContact CZ2-CE3 3.85Å; W203-W217 HydrophobicContact CZ2-CH2 4.32Å; W203-W217 HydrophobicContact CZ2-CZ2 4.41Å; W203-W217 HydrophobicContact CZ2-CZ3 4.05Å; Q204-W217 VanDerWaalsContact OE1-CZ2 3.32Å; V212-W217 HydrophobicContact CG1-CB 4.27Å; Q215-W217 VanDerWaalsContact O-CD1 3.24Å; Q215-W217 PolarHBondContact O-N 3.03Å; W217-V219 VanDerWaalsContact C-N 3.29Å; W217-V219 PolarHBondContact O-N 3.1Å; W217-L220 WeakPolarHBondContact O-CA 3.47Å; W217-L220 WeakPolarHBondContact O-CB 3.49Å; W217-L220 PolarHBondContact O-N 2.99Å; W217-V221 HydrophobicContact CE3-CG2 3.68Å; W217-V221 HydrophobicContact CZ3-CG2 4.07Å; W217-V221 WeakPolarHBondContact O-CG2 3.46Å; W217-V221 PolarHBondContact O-N 3.15Å
218S95.2Very high95.9Very high52 Ų5269 Ų6936%0.36435%0.354SS..Hα-helixtrans-62.3-31-178.171.40000114.2N216 R222N216-S218 VanDerWaalsContact C-N 3.26Å; N216-S218 PolarHBondContact O-N 3.29Å; N216-S218 PolarHBondContact OD1-OG 3.41Å; S218-R222 PolarHBondContact O-N 2.93Å
219V95.3Very high95.9Very high71 Ų7172.9 Ų72.943%0.4338%0.376SS..Hα-helixtrans-70-40.3173.9176.10000110.2N216 W217 R222 A223N216-V219 PolarHBondContact O-N 3Å; W217-V219 VanDerWaalsContact C-N 3.29Å; W217-V219 PolarHBondContact O-N 3.1Å; V219-R222 PolarHBondContact O-N 3.29Å; V219-A223 PolarHBondContact O-N 3.42Å; V219-A223 VanDerWaalsContact O-N 3.14Å
220L96.3Very high95.9Very high26 Ų2673.3 Ų73.314%0.13638%0.379CS..Hα-helixtrans-71.5-36.1-178.5-162.255.9000111.6P179 W189 R190 L193 W217 R222 A223 I224P179-L220 HydrophobicContact CB-CD1 3.75Å; P179-L220 HydrophobicContact CB-CD2 3.74Å; P179-L220 HydrophobicContact CB-CG 3.63Å; W189-L220 HydrophobicContact CH2-CD2 3.81Å; W189-L220 HydrophobicContact CZ3-CD2 3.78Å; R190-L220 HydrophobicContact CG-CD2 4.39Å; L193-L220 HydrophobicContact CD2-CB 4.09Å; L193-L220 HydrophobicContact CD2-CD2 3.8Å; L193-L220 HydrophobicContact CD2-CG 4.1Å; W217-L220 WeakPolarHBondContact O-CA 3.47Å; W217-L220 WeakPolarHBondContact O-CB 3.49Å; W217-L220 PolarHBondContact O-N 2.99Å; L220-R222 PolarHBondContact O-N 3.48Å; L220-A223 WeakPolarHBondContact O-CB 3.5Å; L220-A223 PolarHBondContact O-N 2.96Å; L220-A223 VanDerWaalsContact O-N 3.15Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.31Å; L220-I224 PolarHBondContact O-N 2.83Å
221V97.3Very high96Very high19 Ų1973.9 Ų73.912%0.11538%0.38CS..Hα-helixtrans-53.4-52.6169.6173.40000110.9L193 L197 W217 A223 I224 E225L193-V221 HydrophobicContact CD1-CG2 4.49Å; L197-V221 HydrophobicContact CD1-CB 4.42Å; L197-V221 HydrophobicContact CD1-CG2 3.68Å; L197-V221 HydrophobicContact CD2-CG1 4.35Å; L197-V221 HydrophobicContact CD2-CG2 3.66Å; L197-V221 HydrophobicContact CG-CG2 4.27Å; W217-V221 HydrophobicContact CE3-CG2 3.68Å; W217-V221 HydrophobicContact CZ3-CG2 4.07Å; W217-V221 WeakPolarHBondContact O-CG2 3.46Å; W217-V221 PolarHBondContact O-N 3.15Å; V221-A223 PolarHBondContact O-N 3.46Å; V221-I224 WeakPolarHBondContact O-CB 3.03Å; V221-I224 PolarHBondContact O-N 3.02Å; V221-I224 VanDerWaalsContact O-N 3.11Å; V221-E225 HydrophobicContact CG1-CG 4.41Å; V221-E225 WeakPolarHBondContact O-CG 3.29Å; V221-E225 PolarHBondContact O-N 3.07Å
222R97.2Very high96.3Very high147 Ų14776.7 Ų76.756%0.55539%0.391SS*.Hα-helixtrans-62.1-31.7179-72.1-176.3-72.2172.2-3.9112.9S218 V219 L220 R226S218-R222 PolarHBondContact O-N 2.93Å; V219-R222 PolarHBondContact O-N 3.29Å; L220-R222 PolarHBondContact O-N 3.48Å; R222-R226 WeakPolarHBondContact O-CB 3.36Å; R222-R226 VanDerWaalsContact O-CG 3.28Å; R222-R226 WeakPolarHBondContact O-CG 3.45Å; R222-R226 PolarHBondContact O-N 2.83Å
223A97.2Very high96.4Very high22 Ų2276.8 Ų76.818%0.18239%0.392CS..Hα-helixtrans-69.9-42.217500000111.5V219 L220 V221 R226 G227 I228V219-A223 PolarHBondContact O-N 3.42Å; V219-A223 VanDerWaalsContact O-N 3.14Å; L220-A223 WeakPolarHBondContact O-CB 3.5Å; L220-A223 PolarHBondContact O-N 2.96Å; L220-A223 VanDerWaalsContact O-N 3.15Å; V221-A223 PolarHBondContact O-N 3.46Å; A223-R226 CarbonylContact O-C 3.54Å; A223-R226 PolarHBondContact O-N 2.94Å; A223-G227 PolarHBondContact O-N 2.87Å; A223-I228 HydrophobicContact CB-CB 4.44Å; A223-I228 PolarHBondContact O-N 2.8Å
224I97.9Very high96.6Very high36 Ų3673.6 Ų73.619%0.18538%0.377CS..Hα-helixtrans-61.3-50.8175.5-65.3162000110.6A177 P179 L197 L220 V221 R226 G227 A230A177-I224 HydrophobicContact CB-CG1 4.33Å; A177-I224 HydrophobicContact CB-CG2 3.69Å; P179-I224 HydrophobicContact CB-CD1 3.83Å; P179-I224 HydrophobicContact CB-CG1 3.96Å; P179-I224 HydrophobicContact CG-CD1 3.59Å; P179-I224 HydrophobicContact CG-CG1 4.01Å; L197-I224 HydrophobicContact CD1-CD1 3.72Å; L220-I224 VanDerWaalsContact O-CG1 3.31Å; L220-I224 WeakPolarHBondContact O-CG1 3.31Å; L220-I224 PolarHBondContact O-N 2.83Å; V221-I224 WeakPolarHBondContact O-CB 3.03Å; V221-I224 PolarHBondContact O-N 3.02Å; V221-I224 VanDerWaalsContact O-N 3.11Å; I224-R226 PolarHBondContact O-N 3.33Å; I224-R226 VanDerWaalsContact O-N 3.16Å; I224-G227 PolarHBondContact O-N 3.48Å; I224-A230 HydrophobicContact CB-CB 4.42Å; I224-A230 HydrophobicContact CG1-CB 4.07Å
225E97.2Very high96.8Very high151 Ų15166.5 Ų66.571%0.70635%0.345SS*.Hα-helixtrans-57.9-31179.5-71.5173.7166.300112.8V221V221-E225 HydrophobicContact CG1-CG 4.41Å; V221-E225 WeakPolarHBondContact O-CG 3.29Å; V221-E225 PolarHBondContact O-N 3.07Å
226R97.4Very high97Very high192 Ų19263 Ų6373%0.72533%0.328SS*.THydrogen-bonded Turntrans-94.60.7179.1-65.7-178.967-166.5-0.7113.9R222 A223 I224 I228R222-R226 WeakPolarHBondContact O-CB 3.36Å; R222-R226 VanDerWaalsContact O-CG 3.28Å; R222-R226 WeakPolarHBondContact O-CG 3.45Å; R222-R226 PolarHBondContact O-N 2.83Å; A223-R226 CarbonylContact O-C 3.54Å; A223-R226 PolarHBondContact O-N 2.94Å; I224-R226 PolarHBondContact O-N 3.33Å; I224-R226 VanDerWaalsContact O-N 3.16Å; R226-I228 HydrophobicContact CB-CD1 3.85Å; R226-I228 HydrophobicContact CB-CG1 3.88Å; R226-I228 PolarHBondContact O-N 3.05Å
227G96.2Very high97.4Very high54 Ų5457.7 Ų57.756%0.55730%0.302SS*.THydrogen-bonded Turntrans63.225.2-176.900000114.5A223 I224 N229A223-G227 PolarHBondContact O-N 2.87Å; I224-G227 PolarHBondContact O-N 3.48Å; G227-N229 PolarHBondContact O-N 3.34Å
228I97.7Very high97.5Very high87 Ų8755.7 Ų55.745%0.44629%0.294SS..SBendtrans-87.6107.7-177.4-59.9173.3000109.2A223 R226 A230A223-I228 HydrophobicContact CB-CB 4.44Å; A223-I228 PolarHBondContact O-N 2.8Å; R226-I228 HydrophobicContact CB-CD1 3.85Å; R226-I228 HydrophobicContact CB-CG1 3.88Å; R226-I228 PolarHBondContact O-N 3.05Å; I228-A230 PolarHBondContact O-N 3.36Å
229N96.6Very high97.7Very high104 Ų10453.3 Ų53.356%0.55628%0.277SS*.SBendtrans48.742.2-176.8-165.728.1000112.2G180 G181 G227G180-N229 VanDerWaalsContact C-ND2 3.25Å; G180-N229 CarbonylContact C-O 3.48Å; G180-N229 VanDerWaalsContact CA-O 3.22Å; G180-N229 WeakPolarHBondContact CA-O 3.3Å; G180-N229 PolarHBondContact N-O 3.05Å; G180-N229 PolarHBondContact O-ND2 3.02Å; G181-N229 PolarHBondContact N-O 2.8Å; G181-N229 VanDerWaalsContact N-O 3.08Å; G227-N229 PolarHBondContact O-N 3.34Å
230A98Very high97.8Very high8 Ų850 Ų507%0.06626%0.257CS..  trans-138.256-178.800000110.5A177 L178 I224 I228A177-A230 HydrophobicContact CB-CB 4.48Å; L178-A230 WeakPolarHBondContact O-CA 3.45Å; I224-A230 HydrophobicContact CB-CB 4.42Å; I224-A230 HydrophobicContact CG1-CB 4.07Å; I228-A230 PolarHBondContact O-N 3.36Å
231P98Very high97.9Very high54 Ų5448.8 Ų48.835%0.35125%0.251SS..  trans-61150.1-178.930-36000110.5L154 A177 L178L154-P231 HydrophobicContact CD1-CB 3.87Å; L154-P231 HydrophobicContact CD1-CG 4.09Å; A177-P231 CarbonylContact C-O 3.45Å; A177-P231 WeakPolarHBondContact CA-O 3.27Å; L178-P231 HydrophobicContact CB-CG 4.24Å; L178-P231 HydrophobicContact CD1-CG 4.35Å; L178-P231 PolarHBondContact N-O 3.16Å
232L98.6Very high98Very high105 Ų10547.9 Ų47.955%0.5525%0.245SC..EExtended strand (participates in β ladder)trans-84.5135.6175.9-59.9179.8000109.9A175 V176 A177A175-L232 HydrophobicContact CB-CB 4.07Å; V176-L232 WeakPolarHBondContact O-CA 3.36Å; A177-L232 HydrophobicContact CB-CD2 3.92Å
233A98.7Very high98.1Very high3 Ų340.9 Ų40.93%0.02522%0.219CC..EExtended strand (participates in β ladder)trans-141.2136.8174.200000112.3I146 L154 A175 V176 L178 S235I146-A233 HydrophobicContact CD1-CB 3.35Å; L154-A233 HydrophobicContact CB-CB 3.65Å; L154-A233 HydrophobicContact CD1-CB 4.37Å; L154-A233 VanDerWaalsContact O-CA 3.27Å; L154-A233 WeakPolarHBondContact O-CA 3.47Å; A175-A233 CarbonylContact C-O 3.59Å; A175-A233 WeakPolarHBondContact CA-O 3.46Å; V176-A233 PolarHBondContact N-O 3.5Å; V176-A233 PolarHBondContact O-N 3.49Å; L178-A233 HydrophobicContact CD1-CB 3.81Å; L178-A233 HydrophobicContact CD2-CB 4.1Å; L178-A233 HydrophobicContact CG-CB 3.95Å; A233-S235 PolarHBondContact O-N 3.43Å
234S98.7Very high98.1Very high6 Ų639.8 Ų39.84%0.04221%0.21CC..EExtended strand (participates in β ladder)trans-82.445172.7400000111.6L154 G156 G157 E158 L173 C236L154-S234 PolarHBondContact O-N 3.15Å; L154-S234 VanDerWaalsContact O-N 3.13Å; L154-S234 PolarHBondContact O-OG 2.98Å; G156-S234 CarbonylContact C-O 3.52Å; G156-S234 PolarHBondContact N-O 3.31Å; G157-S234 WeakPolarHBondContact CA-O 3.37Å; G157-S234 PolarHBondContact N-O 3.06Å; E158-S234 VanDerWaalsContact OE1-CB 3.3Å; E158-S234 WeakPolarHBondContact OE1-CB 3.34Å; E158-S234 PolarHBondContact OE1-OG 3.38Å; E158-S234 PolarHBondContact OE2-OG 3.03Å; L173-S234 WeakPolarHBondContact O-CB 3.49Å; S234-C236 PolarHBondContact O-N 3.24Å
235S98.7Very high98.2Very high8 Ų838.8 Ų38.86%0.05621%0.207CC..EExtended strand (participates in β ladder)trans-78121.1-169.6175.90000113.5G145 A233 G237 R238 F239G145-S235 WeakPolarHBondContact O-CB 3.32Å; G145-S235 PolarHBondContact O-OG 3.28Å; A233-S235 PolarHBondContact O-N 3.43Å; S235-G237 PolarHBondContact OG-N 3.41Å; S235-R238 WeakPolarHBondContact OG-CB 3.44Å; S235-R238 WeakPolarHBondContact OG-CG 3.4Å; S235-R238 PolarHBondContact OG-N 3.01Å; S235-F239 PolarHBondContact O-N 3.47Å
236C98.7Very high98.2Very high0 Ų032 Ų320%018%0.176CC..Hα-helixtrans-69.7-42.3170.3-165.60000111L143 D144 G156 L173 S234 R238 F239 F240 V340L143-C236 HydrophobicContact CB-CB 4.11Å; L143-C236 HydrophobicContact CD2-CB 4.28Å; D144-C236 PolarHBondContact O-N 3.33Å; G156-C236 WeakPolarHBondContact O-CB 3.45Å; G156-C236 PolarHBondContact O-N 3.12Å; L173-C236 HydrophobicContact CD1-CB 3.83Å; S234-C236 PolarHBondContact O-N 3.24Å; C236-R238 VanDerWaalsContact C-N 3.35Å; C236-R238 PolarHBondContact O-N 3.5Å; C236-F239 WeakPolarHBondContact O-CA 3.47Å; C236-F239 WeakPolarHBondContact O-CB 3.5Å; C236-F239 PolarHBondContact O-N 2.76Å; C236-F240 WeakPolarHBondContact O-CD2 3.33Å; C236-F240 PolarHBondContact O-N 3.29Å; C236-V340 HydrophobicContact CB-CG2 4.39Å
237G98.1Very high98.3Very high6 Ų624 Ų246%0.06215%0.148CC..Hα-helixtrans-57.4-43.7176.900000113.1D144 S235 F239 F240 D241D144-G237 PolarHBondContact O-N 2.94Å; S235-G237 PolarHBondContact OG-N 3.41Å; G237-F239 VanDerWaalsContact C-N 3.28Å; G237-F239 PolarHBondContact O-N 2.73Å; G237-F240 WeakPolarHBondContact O-CB 3.35Å; G237-F240 PolarHBondContact O-N 3.04Å; G237-D241 PolarHBondContact O-N 3.2Å
238R98.6Very high98.4Very high19 Ų1924.2 Ų24.27%0.07215%0.151CC..Hα-helixtrans-70.3-25.9176.3-58.3-67.985.589.8-3.8112.4L178 N191 S235 C236 D241 A242 E257L178-R238 HydrophobicContact CD2-CB 4.29Å; L178-R238 HydrophobicContact CD2-CG 3.67Å; N191-R238 HydrophobicContact CB-CB 4.43Å; N191-R238 VanDerWaalsContact CB-O 3.23Å; N191-R238 WeakPolarHBondContact CB-O 3.5Å; S235-R238 WeakPolarHBondContact OG-CB 3.44Å; S235-R238 WeakPolarHBondContact OG-CG 3.4Å; S235-R238 PolarHBondContact OG-N 3.01Å; C236-R238 VanDerWaalsContact C-N 3.35Å; C236-R238 PolarHBondContact O-N 3.5Å; R238-D241 IonicContact CZ-OD2 3.8Å; R238-D241 VanDerWaalsContact CZ-OD2 3.28Å; R238-D241 IonicContact NE-OD2 2.73Å; R238-D241 PolarHBondContact NE-OD2 2.92Å; R238-D241 IonicContact NH2-OD2 3.88Å; R238-D241 PolarHBondContact NH2-OD2 3.35Å; R238-D241 PolarHBondContact O-N 3.33Å; R238-A242 PolarHBondContact O-N 3.3Å; R238-E257 IonicContact CZ-OE1 3.73Å; R238-E257 IonicContact NH1-OE1 2.8Å; R238-E257 PolarHBondContact NH1-OE1 3.08Å; R238-E257 IonicContact NH2-OE1 3.02Å; R238-E257 PolarHBondContact NH2-OE1 3.17Å
239F98.8Very high98.4Very high1 Ų122 Ų220%0.00414%0.142CC..Hα-helixtrans-70.1-42.2172.2-172.3-157.3000111.7L173 S235 C236 G237 D241 A242 V243 M280 L289 F292 W293 F310 L314L173-F239 HydrophobicContact CD1-CD1 4.31Å; L173-F239 HydrophobicContact CD2-CD1 3.95Å; L173-F239 HydrophobicContact CD2-CE1 4.18Å; S235-F239 PolarHBondContact O-N 3.47Å; C236-F239 WeakPolarHBondContact O-CA 3.47Å; C236-F239 WeakPolarHBondContact O-CB 3.5Å; C236-F239 PolarHBondContact O-N 2.76Å; G237-F239 VanDerWaalsContact C-N 3.28Å; G237-F239 PolarHBondContact O-N 2.73Å; F239-D241 VanDerWaalsContact C-N 3.32Å; F239-D241 PolarHBondContact O-N 3.25Å; F239-A242 WeakPolarHBondContact O-CB 3.31Å; F239-A242 PolarHBondContact O-N 2.88Å; F239-A242 VanDerWaalsContact O-N 3.17Å; F239-V243 HydrophobicContact CD2-CG2 4.29Å; F239-V243 HydrophobicContact CE2-CG2 4.08Å; F239-V243 PolarHBondContact O-N 3.21Å; F239-V243 VanDerWaalsContact O-N 3.12Å; F239-M280 HydrophobicContact CE1-CE 3.47Å; F239-M280 VanDerWaalsContact CE1-CE 3.47Å; F239-M280 HydrophobicContact CE1-SD 3.88Å; F239-M280 HydrophobicContact CZ-CE 3.63Å; F239-M280 HydrophobicContact CZ-SD 4.35Å; F239-L289 HydrophobicContact CE1-CD1 4.43Å; F239-L289 HydrophobicContact CE1-CD2 3.76Å; F239-L289 HydrophobicContact CZ-CD1 4.32Å; F239-L289 HydrophobicContact CZ-CD2 3.76Å; F239-F292 HydrophobicContact CE2-CD1 4.01Å; F239-F292 AromaticContact CE2-CE1 3.62Å; F239-F292 HydrophobicContact CE2-CE1 3.62Å; F239-F292 HydrophobicContact CE2-CZ 4.39Å; F239-F292 AromaticContact CZ-CD1 3.6Å; F239-F292 HydrophobicContact CZ-CD1 3.6Å; F239-F292 AromaticContact CZ-CE1 3.47Å; F239-F292 HydrophobicContact CZ-CE1 3.47Å; F239-F292 VanDerWaalsContact CZ-CE1 3.47Å; F239-F292 HydrophobicContact CZ-CG 4.29Å; F239-F292 HydrophobicContact CZ-CZ 4.04Å; F239-W293 HydrophobicContact CD2-CZ2 4.2Å; F239-W293 AromaticContact CE2-CE2 3.97Å; F239-W293 AromaticContact CE2-CZ2 3.71Å; F239-W293 HydrophobicContact CE2-CZ2 3.71Å; F239-F310 AromaticContact CD1-CE2 3.97Å; F239-F310 HydrophobicContact CD1-CE2 3.97Å; F239-F310 HydrophobicContact CD1-CZ 4.41Å; F239-F310 HydrophobicContact CD2-CE2 4.46Å; F239-F310 AromaticContact CE1-CE2 3.73Å; F239-F310 HydrophobicContact CE1-CE2 3.73Å; F239-F310 HydrophobicContact CE2-CE2 4.22Å; F239-F310 HydrophobicContact CG-CE2 4.34Å; F239-F310 HydrophobicContact CZ-CD2 4.44Å; F239-F310 AromaticContact CZ-CE2 3.85Å; F239-F310 HydrophobicContact CZ-CE2 3.85Å; F239-L314 HydrophobicContact CD1-CD1 4.29Å; F239-L314 HydrophobicContact CE1-CD1 4.12Å
240F98.6Very high98.4Very high1 Ų118.1 Ų18.10%0.00413%0.125CC..Hα-helixtrans-55.3-46.9168.9-90.5-104.1000111.7C236 G237 A242 V243 A244 A261 L264 F310 H311 L314 V340 N343 T346C236-F240 WeakPolarHBondContact O-CD2 3.33Å; C236-F240 PolarHBondContact O-N 3.29Å; G237-F240 WeakPolarHBondContact O-CB 3.35Å; G237-F240 PolarHBondContact O-N 3.04Å; F240-A242 VanDerWaalsContact C-N 3.3Å; F240-A242 PolarHBondContact O-N 3.08Å; F240-V243 PolarHBondContact O-N 3.23Å; F240-A244 WeakPolarHBondContact O-CB 3.26Å; F240-A244 PolarHBondContact O-N 3.25Å; F240-A261 HydrophobicContact CB-CB 3.9Å; F240-A261 HydrophobicContact CD1-CB 3.98Å; F240-A261 HydrophobicContact CG-CB 4.21Å; F240-L264 HydrophobicContact CD1-CD2 3.88Å; F240-L264 HydrophobicContact CE1-CD2 4.48Å; F240-F310 AromaticContact CD1-CE1 3.82Å; F240-F310 HydrophobicContact CD1-CE1 3.82Å; F240-F310 HydrophobicContact CD1-CZ 4.43Å; F240-F310 AromaticContact CD2-CE1 3.98Å; F240-F310 HydrophobicContact CD2-CE1 3.98Å; F240-F310 AromaticContact CD2-CZ 3.79Å; F240-F310 HydrophobicContact CD2-CZ 3.79Å; F240-F310 AromaticContact CE1-CE1 3.71Å; F240-F310 HydrophobicContact CE1-CE1 3.71Å; F240-F310 HydrophobicContact CE1-CZ 4.47Å; F240-F310 AromaticContact CE2-CE1 3.89Å; F240-F310 HydrophobicContact CE2-CE1 3.89Å; F240-F310 AromaticContact CE2-CZ 3.86Å; F240-F310 HydrophobicContact CE2-CZ 3.86Å; F240-F310 AromaticContact CG-CE1 3.95Å; F240-F310 HydrophobicContact CG-CE1 3.95Å; F240-F310 HydrophobicContact CG-CZ 4.1Å; F240-F310 AromaticContact CZ-CE1 3.75Å; F240-F310 HydrophobicContact CZ-CE1 3.75Å; F240-F310 HydrophobicContact CZ-CZ 4.2Å; F240-H311 AromaticContact CE1-CD2 3.87Å; F240-H311 AromaticContact CE1-NE2 3.36Å; F240-H311 WeakPolarHBondContact CE1-NE2 3.33Å; F240-H311 AromaticContact CZ-CD2 3.93Å; F240-H311 AromaticContact CZ-NE2 3.92Å; F240-L314 HydrophobicContact CE2-CD2 3.69Å; F240-L314 HydrophobicContact CZ-CD2 4.27Å; F240-V340 HydrophobicContact CD2-CG1 4.31Å; F240-V340 HydrophobicContact CE2-CG1 3.76Å; F240-V340 HydrophobicContact CZ-CG1 4.19Å; F240-N343 VanDerWaalsContact CE1-ND2 3.28Å; F240-N343 WeakPolarHBondContact CE1-ND2 3.46Å; F240-T346 HydrophobicContact CZ-CG2 3.99Å
241D98.6Very high98.4Very high1 Ų120.7 Ų20.71%0.00514%0.141CC..Hα-helixtrans-59.2-40.6177-65.6-23.3000111.9P188 N191 G237 R238 F239 A244 A245 A260P188-D241 HydrophobicContact CB-CB 4.05Å; P188-D241 WeakPolarHBondContact CB-O 3.42Å; N191-D241 HydrophobicContact CB-CB 4.49Å; N191-D241 VanDerWaalsContact ND2-CB 3.35Å; N191-D241 WeakPolarHBondContact ND2-CB 3.27Å; G237-D241 PolarHBondContact O-N 3.2Å; R238-D241 IonicContact CZ-OD2 3.8Å; R238-D241 VanDerWaalsContact CZ-OD2 3.28Å; R238-D241 IonicContact NE-OD2 2.73Å; R238-D241 PolarHBondContact NE-OD2 2.92Å; R238-D241 IonicContact NH2-OD2 3.88Å; R238-D241 PolarHBondContact NH2-OD2 3.35Å; R238-D241 PolarHBondContact O-N 3.33Å; F239-D241 VanDerWaalsContact C-N 3.32Å; F239-D241 PolarHBondContact O-N 3.25Å; D241-A244 PolarHBondContact O-N 3.46Å; D241-A245 WeakPolarHBondContact O-CB 3.47Å; D241-A245 PolarHBondContact O-N 3.12Å; D241-A260 WeakPolarHBondContact OD1-CB 3.32Å
242A98.8Very high98.3Very high0 Ų021.5 Ų21.50%015%0.152CC..Hα-helixtrans-62-44.1177.500000112.4N191 L192 Q195 R238 F239 F240 A245 A246 W293N191-A242 HydrophobicContact CB-CB 3.89Å; L192-A242 HydrophobicContact CB-CB 4.36Å; Q195-A242 HydrophobicContact CG-CB 3.87Å; R238-A242 PolarHBondContact O-N 3.3Å; F239-A242 WeakPolarHBondContact O-CB 3.31Å; F239-A242 PolarHBondContact O-N 2.88Å; F239-A242 VanDerWaalsContact O-N 3.17Å; F240-A242 VanDerWaalsContact C-N 3.3Å; F240-A242 PolarHBondContact O-N 3.08Å; A242-A245 PolarHBondContact O-N 2.94Å; A242-A246 PolarHBondContact O-N 2.96Å; A242-A246 VanDerWaalsContact O-N 3.08Å; A242-W293 HydrophobicContact CB-CH2 4.26Å; A242-W293 HydrophobicContact CB-CZ2 4.07Å
243V98.8Very high98.2Very high0 Ų020.2 Ų20.20%015%0.148CC..Hα-helixtrans-69.4-40.9178.3177.50000111.1F239 F240 A245 A246 L247 L264 F292 W293 W296 F310F239-V243 HydrophobicContact CD2-CG2 4.29Å; F239-V243 HydrophobicContact CE2-CG2 4.08Å; F239-V243 PolarHBondContact O-N 3.21Å; F239-V243 VanDerWaalsContact O-N 3.12Å; F240-V243 PolarHBondContact O-N 3.23Å; V243-A245 VanDerWaalsContact C-N 3.3Å; V243-A245 PolarHBondContact O-N 3.24Å; V243-A246 WeakPolarHBondContact O-CB 3.47Å; V243-A246 PolarHBondContact O-N 3.27Å; V243-A246 VanDerWaalsContact O-N 3.17Å; V243-L247 PolarHBondContact O-N 3.05Å; V243-L264 HydrophobicContact CB-CD2 3.92Å; V243-L264 HydrophobicContact CG1-CD1 4.15Å; V243-L264 HydrophobicContact CG1-CD2 3.83Å; V243-F292 HydrophobicContact CG2-CE1 4.4Å; V243-F292 HydrophobicContact CG2-CZ 4.28Å; V243-W293 HydrophobicContact CG2-CH2 3.81Å; V243-W293 HydrophobicContact CG2-CZ2 4.34Å; V243-W293 HydrophobicContact CG2-CZ3 4.48Å; V243-W296 HydrophobicContact CG1-CH2 4.19Å; V243-W296 HydrophobicContact CG1-CZ2 3.74Å; V243-F310 HydrophobicContact CB-CD1 4.47Å; V243-F310 HydrophobicContact CB-CD2 4.48Å; V243-F310 HydrophobicContact CB-CG 4.4Å; V243-F310 HydrophobicContact CG1-CB 4.12Å; V243-F310 HydrophobicContact CG1-CD1 4.13Å; V243-F310 HydrophobicContact CG1-CD2 4.4Å; V243-F310 HydrophobicContact CG1-CG 3.94Å; V243-F310 HydrophobicContact CG2-CD2 3.71Å; V243-F310 HydrophobicContact CG2-CE2 3.74Å; V243-F310 HydrophobicContact CG2-CG 4.09Å; V243-F310 HydrophobicContact CG2-CZ 4.18Å
244A98.6Very high98.2Very high0 Ų020.9 Ų20.90%015%0.151CC..Hα-helixtrans-60.9-39.2174.800000112.1F240 D241 L247 G248 C249 A260 L264F240-A244 WeakPolarHBondContact O-CB 3.26Å; F240-A244 PolarHBondContact O-N 3.25Å; D241-A244 PolarHBondContact O-N 3.46Å; A244-L247 PolarHBondContact O-N 3.27Å; A244-G248 PolarHBondContact O-N 3.39Å; A244-C249 PolarHBondContact O-N 2.85Å; A244-A260 HydrophobicContact CB-CB 3.8Å; A244-L264 HydrophobicContact CB-CB 4.29Å; A244-L264 HydrophobicContact CB-CD2 4.5Å
245A98.4Very high98.1Very high14 Ų1425.5 Ų25.512%0.11618%0.184CC..Hα-helixtrans-63.9-41.2174.300000112.2P188 L192 D241 A242 V243 L247 G248P188-A245 HydrophobicContact CB-CB 3.81Å; L192-A245 HydrophobicContact CB-CB 4.08Å; L192-A245 HydrophobicContact CD2-CB 4.16Å; D241-A245 WeakPolarHBondContact O-CB 3.47Å; D241-A245 PolarHBondContact O-N 3.12Å; A242-A245 PolarHBondContact O-N 2.94Å; V243-A245 VanDerWaalsContact C-N 3.3Å; V243-A245 PolarHBondContact O-N 3.24Å; A245-L247 VanDerWaalsContact C-N 3.35Å; A245-G248 PolarHBondContact O-N 3.09Å
246A98.6Very high97.8Very high8 Ų831 Ų317%0.06620%0.204CC..Hα-helixtrans-66.1-36.2178.700000112.3L192 E208 A242 V243 G248 W296L192-A246 HydrophobicContact CD1-CB 4.07Å; L192-A246 HydrophobicContact CD2-CB 3.98Å; E208-A246 HydrophobicContact CB-CB 4.11Å; E208-A246 WeakPolarHBondContact CB-O 3.39Å; A242-A246 PolarHBondContact O-N 2.96Å; A242-A246 VanDerWaalsContact O-N 3.08Å; V243-A246 WeakPolarHBondContact O-CB 3.47Å; V243-A246 PolarHBondContact O-N 3.27Å; V243-A246 VanDerWaalsContact O-N 3.17Å; A246-G248 VanDerWaalsContact C-N 3.35Å; A246-W296 HydrophobicContact CB-CH2 3.95Å; A246-W296 HydrophobicContact CB-CZ3 3.87Å
247L98.5Very high97.4Very high24 Ų2435.2 Ų35.213%0.12622%0.224CC..Hα-helixtrans-81.4-11.7174.7-67.6-175.8000113.9V243 A244 A245 C249 L264 L267 W296 V303 R306 A307V243-L247 PolarHBondContact O-N 3.05Å; A244-L247 PolarHBondContact O-N 3.27Å; A245-L247 VanDerWaalsContact C-N 3.35Å; L247-C249 HydrophobicContact CB-CB 4.44Å; L247-C249 PolarHBondContact O-N 3.42Å; L247-L264 HydrophobicContact CD1-CD1 3.65Å; L247-L267 HydrophobicContact CD1-CD2 4.16Å; L247-W296 HydrophobicContact CD1-CH2 4.47Å; L247-W296 HydrophobicContact CD1-CZ2 4.05Å; L247-W296 HydrophobicContact CD2-CH2 3.44Å; L247-W296 VanDerWaalsContact CD2-CH2 3.44Å; L247-W296 HydrophobicContact CD2-CZ2 3.58Å; L247-W296 HydrophobicContact CG-CH2 3.66Å; L247-W296 HydrophobicContact CG-CZ2 3.74Å; L247-V303 HydrophobicContact CD2-CG1 4.39Å; L247-R306 HydrophobicContact CD1-CB 4.48Å; L247-R306 HydrophobicContact CD2-CB 3.94Å; L247-A307 HydrophobicContact CD1-CB 3.89Å
248G97.8Very high97.2Very high60 Ų6035.9 Ų35.962%0.61923%0.23SC*.THydrogen-bonded Turntrans6229.4-17600000113.4A244 A245 A246A244-G248 PolarHBondContact O-N 3.39Å; A245-G248 PolarHBondContact O-N 3.09Å; A246-G248 VanDerWaalsContact C-N 3.35Å
249C98Very high97.2Very high39 Ų3936.4 Ų36.426%0.26423%0.234SC..  trans-91.52.4-17668.80000114A244 L247 A263 L267A244-C249 PolarHBondContact O-N 2.85Å; L247-C249 HydrophobicContact CB-CB 4.44Å; L247-C249 PolarHBondContact O-N 3.42Å; C249-A263 WeakPolarHBondContact O-CB 3.46Å; C249-L267 HydrophobicContact CB-CD2 3.89Å
250A97.7Very high97.1Very high23 Ų2336.4 Ų36.419%0.1923%0.234CC..SBendtrans-134.2157178.100000111.1L254 A260A250-L254 HydrophobicContact CB-CD2 4.15Å; A250-A260 HydrophobicContact CB-CB 3.67Å
251P96.7Very high97.1Very high63 Ų6337.2 Ų37.241%0.40924%0.241SC..  trans-57.8151.8173.6-23.334.4000112.4T253P251-T253 PolarHBondContact O-N 3.41Å
252A95.9Very high97Very high70 Ų7040.1 Ų40.158%0.57926%0.261SS*.SBendtrans-63.4-24.6178.200000113.3
253T97.6Very high97Very high78 Ų7841.7 Ų41.748%0.47927%0.273SS..SBendtrans-133.8123.5169.4-61.90000108.1K186 Q187 P251K186-T253 CarbonylContact O-C 3.47Å; K186-T253 WeakPolarHBondContact O-CA 3.49Å; Q187-T253 HydrophobicContact CG-CG2 4.26Å; Q187-T253 PolarHBondContact NE2-OG1 3.34Å; P251-T253 PolarHBondContact O-N 3.41Å
254L98Very high97Very high17 Ų1741.7 Ų41.79%0.08927%0.273CS..  trans-75.5150.9-177.6-53.5-175.9000111K186 P188 A250 E259 A260K186-L254 PolarHBondContact O-N 2.95Å; P188-L254 HydrophobicContact CG-CD1 3.93Å; P188-L254 HydrophobicContact CG-CD2 3.78Å; P188-L254 HydrophobicContact CG-CG 3.85Å; A250-L254 HydrophobicContact CB-CD2 4.15Å; L254-E259 WeakPolarHBondContact CA-OE2 3.47Å; L254-E259 HydrophobicContact CB-CB 4.26Å; L254-E259 HydrophobicContact CD1-CB 4.22Å; L254-E259 HydrophobicContact CD2-CB 4.08Å; L254-E259 HydrophobicContact CD2-CG 4.17Å; L254-E259 HydrophobicContact CG-CB 4.4Å; L254-A260 HydrophobicContact CD1-CB 3.92Å; L254-A260 HydrophobicContact CD2-CB 4.05Å
255S96Very high96.9Very high103 Ų10343 Ų4372%0.7228%0.28SS*.SBendtrans-96.2-21176.862.30000112.8E259S255-E259 PolarHBondContact N-OE2 2.78Å; S255-E259 PolarHBondContact OG-OE2 3.27Å
256Y93.4Very high96.9Very high125 Ų12545.6 Ų45.649%0.4930%0.301SS..SBendtrans-147.3157.4174.466.4-86.8000112.5G258 E259Y256-G258 PolarHBondContact O-N 3.35Å; Y256-E259 HydrophobicContact CD1-CB 3.87Å; Y256-E259 HydrophobicContact CD1-CG 4.12Å; Y256-E259 HydrophobicContact CD2-CB 3.99Å; Y256-E259 HydrophobicContact CE1-CB 3.52Å; Y256-E259 HydrophobicContact CE1-CG 3.45Å; Y256-E259 VanDerWaalsContact CE1-CG 3.45Å; Y256-E259 VanDerWaalsContact CE2-CA 3.42Å; Y256-E259 HydrophobicContact CE2-CB 3.65Å; Y256-E259 HydrophobicContact CE2-CG 4.36Å; Y256-E259 HydrophobicContact CG-CB 4.09Å; Y256-E259 VanDerWaalsContact CZ-CA 3.46Å; Y256-E259 WeakPolarHBondContact O-CB 3.49Å; Y256-E259 PolarHBondContact O-N 3.36Å
257E90.1Very high96.8Very high88 Ų8847.1 Ų47.141%0.41131%0.307SS..THydrogen-bonded Turntrans-64.1127.7178-177.765.2-147.300111.1A185 R238A185-E257 WeakPolarHBondContact CB-OE2 3.48Å; R238-E257 IonicContact CZ-OE1 3.73Å; R238-E257 IonicContact NH1-OE1 2.8Å; R238-E257 PolarHBondContact NH1-OE1 3.08Å; R238-E257 IonicContact NH2-OE1 3.02Å; R238-E257 PolarHBondContact NH2-OE1 3.17Å
258G94Very high96.8Very high19 Ų1946 Ų4620%0.19630%0.301CS..THydrogen-bonded Turntrans87.60.6179.500000115Y256 A260 A261 C262Y256-G258 PolarHBondContact O-N 3.35Å; G258-A260 VanDerWaalsContact C-N 3.34Å; G258-A260 PolarHBondContact O-N 3.32Å; G258-A261 PolarHBondContact O-N 3.24Å; G258-A261 VanDerWaalsContact O-N 3.15Å; G258-C262 PolarHBondContact O-N 2.92Å; G258-C262 PolarHBondContact O-SG 3.36Å; G258-C262 VanDerWaalsContact O-SG 3.37Å
259E97.8Very high96.8Very high31 Ų3145.6 Ų45.615%0.14529%0.292CS..Hα-helixtrans-54.3-46.2-178.8178.8172.9-176.200113.2L254 S255 Y256 C262 A263L254-E259 WeakPolarHBondContact CA-OE2 3.47Å; L254-E259 HydrophobicContact CB-CB 4.26Å; L254-E259 HydrophobicContact CD1-CB 4.22Å; L254-E259 HydrophobicContact CD2-CB 4.08Å; L254-E259 HydrophobicContact CD2-CG 4.17Å; L254-E259 HydrophobicContact CG-CB 4.4Å; S255-E259 PolarHBondContact N-OE2 2.78Å; S255-E259 PolarHBondContact OG-OE2 3.27Å; Y256-E259 HydrophobicContact CD1-CB 3.87Å; Y256-E259 HydrophobicContact CD1-CG 4.12Å; Y256-E259 HydrophobicContact CD2-CB 3.99Å; Y256-E259 HydrophobicContact CE1-CB 3.52Å; Y256-E259 HydrophobicContact CE1-CG 3.45Å; Y256-E259 VanDerWaalsContact CE1-CG 3.45Å; Y256-E259 VanDerWaalsContact CE2-CA 3.42Å; Y256-E259 HydrophobicContact CE2-CB 3.65Å; Y256-E259 HydrophobicContact CE2-CG 4.36Å; Y256-E259 HydrophobicContact CG-CB 4.09Å; Y256-E259 VanDerWaalsContact CZ-CA 3.46Å; Y256-E259 WeakPolarHBondContact O-CB 3.49Å; Y256-E259 PolarHBondContact O-N 3.36Å; E259-C262 PolarHBondContact O-N 3.48Å; E259-A263 WeakPolarHBondContact O-CB 3.13Å; E259-A263 PolarHBondContact O-N 2.91Å
260A98.2Very high96.7Very high0 Ų046.8 Ų46.80%030%0.301CS..Hα-helixtrans-67.3-38.6179.300000112.7P188 D241 A244 A250 L254 G258 A263 L264P188-A260 HydrophobicContact CG-CB 3.91Å; D241-A260 WeakPolarHBondContact OD1-CB 3.32Å; A244-A260 HydrophobicContact CB-CB 3.8Å; A250-A260 HydrophobicContact CB-CB 3.67Å; L254-A260 HydrophobicContact CD1-CB 3.92Å; L254-A260 HydrophobicContact CD2-CB 4.05Å; G258-A260 VanDerWaalsContact C-N 3.34Å; G258-A260 PolarHBondContact O-N 3.32Å; A260-A263 PolarHBondContact O-N 3.47Å; A260-L264 WeakPolarHBondContact O-CB 3.44Å; A260-L264 PolarHBondContact O-N 3.37Å
261A97.2Very high96.7Very high19 Ų1946.2 Ų46.216%0.15730%0.296CS..Hα-helixtrans-64.4-45.2175.900000111.6F240 G258 A263 L264 E265F240-A261 HydrophobicContact CB-CB 3.9Å; F240-A261 HydrophobicContact CD1-CB 3.98Å; F240-A261 HydrophobicContact CG-CB 4.21Å; G258-A261 PolarHBondContact O-N 3.24Å; G258-A261 VanDerWaalsContact O-N 3.15Å; A261-A263 PolarHBondContact O-N 2.8Å; A261-L264 PolarHBondContact O-N 3.44Å; A261-E265 PolarHBondContact O-N 3.05Å
262C97.1Very high96.5Very high62 Ų6252.4 Ų52.442%0.41932%0.319SS..Hα-helixtrans-61.3-42.5175.1-68.50000112.1G258 E259 L264 E265 A266G258-C262 PolarHBondContact O-N 2.92Å; G258-C262 PolarHBondContact O-SG 3.36Å; G258-C262 VanDerWaalsContact O-SG 3.37Å; E259-C262 PolarHBondContact O-N 3.48Å; C262-L264 VanDerWaalsContact C-N 3.33Å; C262-L264 PolarHBondContact O-N 2.98Å; C262-E265 PolarHBondContact O-N 3.23Å; C262-A266 WeakPolarHBondContact O-CB 3.39Å; C262-A266 PolarHBondContact O-N 3.35Å
263A98.3Very high96.4Very high32 Ų3250.9 Ų50.926%0.26431%0.31SS..Hα-helixtrans-63.5-40.117700000111.8C249 E259 A260 A261 L267C249-A263 WeakPolarHBondContact O-CB 3.46Å; E259-A263 WeakPolarHBondContact O-CB 3.13Å; E259-A263 PolarHBondContact O-N 2.91Å; A260-A263 PolarHBondContact O-N 3.47Å; A261-A263 PolarHBondContact O-N 2.8Å; A263-L267 WeakPolarHBondContact O-CB 3.29Å; A263-L267 PolarHBondContact O-N 2.81Å
264L98.5Very high96.3Very high0 Ų048.7 Ų48.70%030%0.296CS..Hα-helixtrans-67-40.8177.4-172.564.1000112.1F240 V243 A244 L247 A260 A261 C262 L267 A268 A307 F310F240-L264 HydrophobicContact CD1-CD2 3.88Å; F240-L264 HydrophobicContact CE1-CD2 4.48Å; V243-L264 HydrophobicContact CB-CD2 3.92Å; V243-L264 HydrophobicContact CG1-CD1 4.15Å; V243-L264 HydrophobicContact CG1-CD2 3.83Å; A244-L264 HydrophobicContact CB-CB 4.29Å; A244-L264 HydrophobicContact CB-CD2 4.5Å; L247-L264 HydrophobicContact CD1-CD1 3.65Å; A260-L264 WeakPolarHBondContact O-CB 3.44Å; A260-L264 PolarHBondContact O-N 3.37Å; A261-L264 PolarHBondContact O-N 3.44Å; C262-L264 VanDerWaalsContact C-N 3.33Å; C262-L264 PolarHBondContact O-N 2.98Å; L264-L267 PolarHBondContact O-N 3.25Å; L264-A268 WeakPolarHBondContact O-CB 3.37Å; L264-A268 PolarHBondContact O-N 2.74Å; L264-A307 HydrophobicContact CD1-CB 3.7Å; L264-A307 HydrophobicContact CG-CB 4.5Å; L264-F310 HydrophobicContact CD2-CD1 3.75Å; L264-F310 HydrophobicContact CD2-CE1 3.7Å
265E97.7Very high96.4Very high29 Ų2954.7 Ų54.714%0.13633%0.334CS..Hα-helixtrans-61.6-50.7174.3-176.5-177.8178.100111.2A261 C262 L267 A268 A269 N343 Q344 F345A261-E265 PolarHBondContact O-N 3.05Å; C262-E265 PolarHBondContact O-N 3.23Å; E265-L267 PolarHBondContact O-N 3.43Å; E265-A268 PolarHBondContact O-N 2.75Å; E265-A268 VanDerWaalsContact O-N 3.14Å; E265-A269 WeakPolarHBondContact O-CB 3.41Å; E265-A269 PolarHBondContact O-N 3Å; E265-N343 WeakPolarHBondContact OE1-CA 3.4Å; E265-Q344 PolarHBondContact OE1-N 3.25Å; E265-F345 HydrophobicContact CG-CD2 4.13Å; E265-F345 HydrophobicContact CG-CE2 4.45Å
266A97.4Very high96.5Very high67 Ų6751.3 Ų51.355%0.55431%0.306SS*.Hα-helixtrans-60.5-35.917900000112.1C262 A269C262-A266 WeakPolarHBondContact O-CB 3.39Å; C262-A266 PolarHBondContact O-N 3.35Å; A266-A269 PolarHBondContact O-N 3.12Å
267L98.1Very high96.7Very high40 Ų4048.8 Ų48.821%0.20931%0.306CS..Hα-helixtrans-66.4-47.4174.8-178.259.4000111.6L247 C249 A263 L264 E265 A269 S270 V303 N304 A307L247-L267 HydrophobicContact CD1-CD2 4.16Å; C249-L267 HydrophobicContact CB-CD2 3.89Å; A263-L267 WeakPolarHBondContact O-CB 3.29Å; A263-L267 PolarHBondContact O-N 2.81Å; L264-L267 PolarHBondContact O-N 3.25Å; E265-L267 PolarHBondContact O-N 3.43Å; L267-A269 VanDerWaalsContact C-N 3.26Å; L267-A269 PolarHBondContact O-N 2.83Å; L267-S270 PolarHBondContact O-N 3.26Å; L267-S270 PolarHBondContact O-OG 2.86Å; L267-V303 HydrophobicContact CD1-CG2 4.11Å; L267-V303 HydrophobicContact CD2-CB 4.2Å; L267-V303 HydrophobicContact CD2-CG2 4.29Å; L267-N304 HydrophobicContact CD1-CB 4.03Å; L267-N304 HydrophobicContact CG-CB 4.37Å; L267-N304 VanDerWaalsContact O-CB 3.31Å; L267-N304 WeakPolarHBondContact O-CB 3.41Å; L267-A307 HydrophobicContact CB-CB 4.35Å; L267-A307 HydrophobicContact CD2-CB 4.13Å; L267-A307 HydrophobicContact CG-CB 4.05Å
268A98.1Very high97.1Very high0 Ų044.8 Ų44.80%029%0.287CS..Hα-helixtrans-60.6-35.2175.900000112.2L264 E265 S270 C271 A307 W308 F345L264-A268 WeakPolarHBondContact O-CB 3.37Å; L264-A268 PolarHBondContact O-N 2.74Å; E265-A268 PolarHBondContact O-N 2.75Å; E265-A268 VanDerWaalsContact O-N 3.14Å; A268-S270 PolarHBondContact O-N 2.79Å; A268-S270 VanDerWaalsContact O-N 3.12Å; A268-C271 WeakPolarHBondContact O-CB 3.17Å; A268-C271 PolarHBondContact O-N 3.35Å; A268-A307 HydrophobicContact CB-CB 3.87Å; A268-W308 HydrophobicContact CB-CB 4.47Å; A268-F345 HydrophobicContact CB-CD2 4.47Å; A268-F345 HydrophobicContact CB-CE2 4.44Å
269A96.8Very high97.4Very high52 Ų5246.8 Ų46.843%0.4330%0.295SS..Hα-helixtrans-61.1-22-179.500000114.9E265 A266 L267 C271 F345E265-A269 WeakPolarHBondContact O-CB 3.41Å; E265-A269 PolarHBondContact O-N 3Å; A266-A269 PolarHBondContact O-N 3.12Å; L267-A269 VanDerWaalsContact C-N 3.26Å; L267-A269 PolarHBondContact O-N 2.83Å; A269-C271 PolarHBondContact O-N 3.33Å; A269-F345 VanDerWaalsContact CA-CZ 3.47Å; A269-F345 HydrophobicContact CB-CE2 3.77Å; A269-F345 HydrophobicContact CB-CZ 3.96Å
270S96.7Very high97.4Very high65 Ų6545.7 Ų45.746%0.45529%0.29SS..THydrogen-bonded Turntrans-78.7-1174.172.20000114L267 A268 N304L267-S270 PolarHBondContact O-N 3.26Å; L267-S270 PolarHBondContact O-OG 2.86Å; A268-S270 PolarHBondContact O-N 2.79Å; A268-S270 VanDerWaalsContact O-N 3.12Å; S270-N304 PolarHBondContact O-ND2 2.76Å; S270-N304 WeakPolarHBondContact OG-CB 3.4Å; S270-N304 PolarHBondContact OG-ND2 3.15Å
271C96.8Very high97.4Very high11 Ų1147.9 Ų47.97%0.07431%0.305CS..  trans-108.1122.4176.8-175.50000110.7A268 A269 G273 N304 W308A268-C271 WeakPolarHBondContact O-CB 3.17Å; A268-C271 PolarHBondContact O-N 3.35Å; A269-C271 PolarHBondContact O-N 3.33Å; C271-G273 PolarHBondContact O-N 3.08Å; C271-G273 VanDerWaalsContact O-N 3.15Å; C271-N304 HydrophobicContact CB-CB 4.44Å; C271-W308 HydrophobicContact CB-CB 3.81Å; C271-W308 HydrophobicContact CB-CG 4.01Å
272H93Very high97.4Very high193 Ų19351.6 Ų51.689%0.89432%0.315SS*.  trans-85.431.5180-58.7-62.3000113.6
273G93.3Very high97.5Very high37 Ų3752.5 Ų52.538%0.38132%0.318SS..  trans90.1145.9-170.800000113.6C271C271-G273 PolarHBondContact O-N 3.08Å; C271-G273 VanDerWaalsContact O-N 3.15Å
274V96.9Very high97.4Very high33 Ų3357.4 Ų57.420%0.234%0.34CS..  trans-150.9140.7-179.259.30000110.3H276 W299 Q305 W308V274-H276 PolarHBondContact O-CD2 3.38Å; V274-H276 PolarHBondContact O-N 3.17Å; V274-W299 HydrophobicContact CG1-CH2 4Å; V274-W299 HydrophobicContact CG2-CH2 4.34Å; V274-W299 HydrophobicContact CG2-CZ2 4.27Å; V274-Q305 HydrophobicContact CB-CG 4.27Å; V274-Q305 HydrophobicContact CG1-CB 4.04Å; V274-Q305 HydrophobicContact CG1-CG 4.22Å; V274-Q305 HydrophobicContact CG2-CG 4.24Å; V274-W308 HydrophobicContact CG1-CD2 4.31Å; V274-W308 HydrophobicContact CG1-CE3 3.62Å; V274-W308 HydrophobicContact CG1-CZ3 4.19Å; V274-W308 WeakPolarHBondContact O-CZ3 3.33Å
275T98.2Very high97.4Very high142 Ų14260.4 Ų60.487%0.87136%0.356SS*.  trans-69.7119.3167.8-54.20000109.6
276H98.5Very high97.4Very high32 Ų3263.7 Ų63.715%0.14837%0.371CS..  trans-135.5158.917862.977.6000112.2V274 V278 W299 W308 A309 D312V274-H276 PolarHBondContact O-CD2 3.38Å; V274-H276 PolarHBondContact O-N 3.17Å; H276-V278 PolarHBondContact CE1-O 2.93Å; H276-V278 VanDerWaalsContact CE1-O 3.3Å; H276-V278 PolarHBondContact ND1-N 3.35Å; H276-V278 PolarHBondContact ND1-O 2.88Å; H276-W299 HydrophobicContact CB-CD2 4.24Å; H276-W299 HydrophobicContact CB-CE3 4.23Å; H276-W299 HydrophobicContact CB-CH2 3.51Å; H276-W299 HydrophobicContact CB-CZ2 3.52Å; H276-W299 HydrophobicContact CB-CZ3 3.88Å; H276-W308 AromaticContact CD2-CE3 3.76Å; H276-W308 AromaticContact CD2-CZ3 3.49Å; H276-W308 VanDerWaalsContact CD2-CZ3 3.49Å; H276-W308 WeakPolarHBondContact CD2-CZ3 3.47Å; H276-W308 AromaticContact NE2-CE3 3.8Å; H276-W308 AromaticContact NE2-CZ3 3.35Å; H276-W308 WeakPolarHBondContact NE2-CZ3 3.5Å; H276-A309 HydrophobicContact CB-CB 3.97Å; H276-A309 VanDerWaalsContact CD2-CB 3.41Å; H276-A309 WeakPolarHBondContact CD2-CB 3.33Å; H276-A309 VanDerWaalsContact CG-CB 3.5Å; H276-A309 WeakPolarHBondContact NE2-CA 3.41Å; H276-D312 IonicContact CE1-OD2 3.28Å; H276-D312 PolarHBondContact CE1-OD2 3.32Å; H276-D312 VanDerWaalsContact CE1-OD2 3.25Å; H276-D312 IonicContact NE2-OD2 3.47Å; H276-D312 PolarHBondContact NE2-OD2 2.92Å; H276-D312 VanDerWaalsContact NE2-OD2 3.14Å
277P98.6Very high97.5Very high73 Ų7360.7 Ų60.747%0.47435%0.346SS..  trans-90.4-4.8177.936.7-36.3000113.7Q295 W299P277-Q295 PolarHBondContact O-OE1 3.17Å; P277-W299 VanDerWaalsContact CD-CD1 3.44Å; P277-W299 HydrophobicContact CG-CB 4.14Å; P277-W299 HydrophobicContact CG-CG 3.85Å
278V98.8Very high97.5Very high4 Ų460.4 Ų60.42%0.02435%0.345CS..  trans-70.6134.6-174.2-172.80000111.3H276 F292 W296 W299 A309 A313H276-V278 PolarHBondContact CE1-O 2.93Å; H276-V278 VanDerWaalsContact CE1-O 3.3Å; H276-V278 PolarHBondContact ND1-N 3.35Å; H276-V278 PolarHBondContact ND1-O 2.88Å; V278-F292 HydrophobicContact CG1-CD2 3.63Å; V278-F292 HydrophobicContact CG1-CE2 3.67Å; V278-W296 HydrophobicContact CG1-CB 3.84Å; V278-W296 HydrophobicContact CG1-CG 4.33Å; V278-W296 HydrophobicContact CG2-CB 4.1Å; V278-W296 HydrophobicContact CG2-CG 4.41Å; V278-W299 HydrophobicContact CG2-CB 4.36Å; V278-W299 HydrophobicContact CG2-CD2 4.41Å; V278-W299 HydrophobicContact CG2-CE3 3.97Å; V278-A309 HydrophobicContact CB-CB 4.44Å; V278-A309 HydrophobicContact CG2-CB 4.3Å; V278-A313 HydrophobicContact CB-CB 4.47Å; V278-A313 HydrophobicContact CG1-CB 3.89Å
279T98.7Very high97.6Very high60 Ų6060.5 Ų60.537%0.36835%0.345SS..  trans-141.2160.7179.863.60000110.8F292 Q295T279-F292 VanDerWaalsContact O-CA 3.31Å; T279-F292 WeakPolarHBondContact O-CA 3.31Å; T279-Q295 PolarHBondContact O-OE1 3.19Å; T279-Q295 PolarHBondContact OG1-NE2 3.38Å; T279-Q295 PolarHBondContact OG1-OE1 3.39Å
280M98.7Very high97.7Very high8 Ų859.8 Ų59.84%0.03934%0.339CS..  trans-12285.6164.6-61.5-167-169.800108.5F239 L287 L289 F292 F310 A313 L314 G317F239-M280 HydrophobicContact CE1-CE 3.47Å; F239-M280 VanDerWaalsContact CE1-CE 3.47Å; F239-M280 HydrophobicContact CE1-SD 3.88Å; F239-M280 HydrophobicContact CZ-CE 3.63Å; F239-M280 HydrophobicContact CZ-SD 4.35Å; M280-L287 HydrophobicContact CB-CB 4.49Å; M280-L287 HydrophobicContact CB-CD1 4.43Å; M280-L287 HydrophobicContact SD-CD1 4.08Å; M280-L289 HydrophobicContact SD-CD2 4.24Å; M280-F292 HydrophobicContact CE-CD1 4.41Å; M280-F292 HydrophobicContact CE-CD2 3.42Å; M280-F292 VanDerWaalsContact CE-CD2 3.42Å; M280-F292 HydrophobicContact CE-CE1 4.45Å; M280-F292 HydrophobicContact CE-CE2 3.45Å; M280-F292 VanDerWaalsContact CE-CE2 3.45Å; M280-F292 HydrophobicContact CE-CG 3.93Å; M280-F292 HydrophobicContact CE-CZ 4Å; M280-F292 HydrophobicContact CG-CB 4.02Å; M280-F292 HydrophobicContact CG-CD2 3.78Å; M280-F292 HydrophobicContact CG-CG 4.1Å; M280-F292 HydrophobicContact SD-CD2 4.37Å; M280-F310 HydrophobicContact CE-CD2 3.79Å; M280-F310 HydrophobicContact CE-CE2 3.87Å; M280-A313 HydrophobicContact CE-CB 4.39Å; M280-A313 HydrophobicContact CG-CB 4.1Å; M280-L314 HydrophobicContact CE-CB 3.77Å; M280-L314 HydrophobicContact CE-CD1 3.96Å; M280-L314 HydrophobicContact CE-CG 4.47Å; M280-L314 HydrophobicContact SD-CB 4.07Å; M280-L314 HydrophobicContact SD-CD1 3.6Å; M280-L314 VanDerWaalsContact SD-CD1 3.6Å; M280-L314 HydrophobicContact SD-CG 4.46Å; M280-G317 WeakPolarHBondContact O-CA 3.18Å
281P98.3Very high97.8Very high46 Ų4658.3 Ų58.330%0.29933%0.327SS..  trans-59.9161.4179-19.831.6000111.6L287 D288 T291P281-L287 CarbonylContact O-C 3.6Å; P281-D288 HydrophobicContact CB-CB 4.31Å; P281-D288 WeakPolarHBondContact O-CB 3.48Å; P281-D288 PolarHBondContact O-N 3.2Å; P281-T291 HydrophobicContact CG-CG2 3.63Å
282R97.6Very high97.9Very high98 Ų9857.8 Ų57.837%0.3732%0.324SS..EExtended strand (participates in β ladder)trans-97.5127.2171.9179.1172.561.879.7-5.7109.8D284 Q286 L321 E324R282-D284 VanDerWaalsContact CD-O 3.23Å; R282-D284 WeakPolarHBondContact CD-O 3.31Å; R282-D284 WeakPolarHBondContact CG-O 3.28Å; R282-D284 PolarHBondContact NH1-O 3.31Å; R282-Q286 WeakPolarHBondContact CA-O 3.41Å; R282-L321 HydrophobicContact CG-CD1 4.44Å; R282-E324 IonicContact NH2-OE2 3.89Å
283V98Very high98.1Very high80 Ų8048.6 Ų48.649%0.48528%0.281SS..EExtended strand (participates in β ladder)trans-116.5117.2166.8176.70000106.7N285 Q286 D288V283-N285 PolarHBondContact O-N 2.88Å; V283-N285 VanDerWaalsContact O-N 3.15Å; V283-Q286 PolarHBondContact N-O 2.74Å; V283-Q286 PolarHBondContact O-N 3.33Å; V283-D288 HydrophobicContact CG2-CB 3.87Å
284D96.9Very high98.4Very high136 Ų13652.7 Ų52.773%0.72729%0.291SS*.THydrogen-bonded Turntrans53-113.7-165.2-57.5-46.5000111.5R282R282-D284 VanDerWaalsContact CD-O 3.23Å; R282-D284 WeakPolarHBondContact CD-O 3.31Å; R282-D284 WeakPolarHBondContact CG-O 3.28Å; R282-D284 PolarHBondContact NH1-O 3.31Å
285N98.2Very high98.5Very high62 Ų6253.8 Ų53.833%0.33229%0.294SS..THydrogen-bonded Turntrans-113.318.4175.1-61.5-28.4000112.7L170 G171 G172 V283 L321 Q325L170-N285 WeakPolarHBondContact O-CB 3.5Å; L170-N285 VanDerWaalsContact O-CG 3.28Å; L170-N285 PolarHBondContact O-ND2 3.25Å; G171-N285 CarbonylContact C-O 3.55Å; G171-N285 WeakPolarHBondContact CA-O 3.12Å; G172-N285 PolarHBondContact N-O 3.07Å; V283-N285 PolarHBondContact O-N 2.88Å; V283-N285 VanDerWaalsContact O-N 3.15Å; N285-L321 HydrophobicContact CB-CD1 4.11Å; N285-Q325 PolarHBondContact OD1-NE2 3.15Å
286Q98.7Very high98.5Very high98 Ų9847 Ų4746%0.45825%0.252SS..EExtended strand (participates in β ladder)trans-115.2152.2177.1-66.7-177.132.800112G172 P174 R282 V283G172-Q286 VanDerWaalsContact O-CA 3.23Å; G172-Q286 WeakPolarHBondContact O-CA 3.33Å; P174-Q286 VanDerWaalsContact CA-OE1 3.29Å; P174-Q286 VanDerWaalsContact CB-OE1 3.31Å; R282-Q286 WeakPolarHBondContact CA-O 3.41Å; V283-Q286 PolarHBondContact N-O 2.74Å; V283-Q286 PolarHBondContact O-N 3.33Å
287L98.7Very high98.5Very high4 Ų445.6 Ų45.62%0.02125%0.245CC..EExtended strand (participates in β ladder)trans-74.8130.7169.9-58-171.4000110.3G172 L173 P174 M280 P281 L289 L314 F318G172-L287 PolarHBondContact O-N 2.96Å; L173-L287 HydrophobicContact CD2-CB 4.43Å; L173-L287 HydrophobicContact CD2-CD1 4.04Å; P174-L287 WeakPolarHBondContact CD-O 3.32Å; M280-L287 HydrophobicContact CB-CB 4.49Å; M280-L287 HydrophobicContact CB-CD1 4.43Å; M280-L287 HydrophobicContact SD-CD1 4.08Å; P281-L287 CarbonylContact O-C 3.6Å; L287-L289 HydrophobicContact CB-CD2 4.27Å; L287-L289 PolarHBondContact O-N 3.13Å; L287-L314 HydrophobicContact CD1-CD1 4.15Å; L287-F318 HydrophobicContact CD1-CD1 3.97Å; L287-F318 HydrophobicContact CD1-CD2 4.27Å; L287-F318 HydrophobicContact CD1-CE1 3.87Å; L287-F318 HydrophobicContact CD1-CE2 4.19Å; L287-F318 HydrophobicContact CD1-CG 4.19Å; L287-F318 HydrophobicContact CD1-CZ 4Å; L287-F318 HydrophobicContact CG-CD1 4.49Å; L287-F318 HydrophobicContact CG-CE1 4.4Å
288D98.8Very high98.5Very high35 Ų3546.1 Ų46.119%0.18724%0.244CC..  trans-8195.1177.8177.712.5000111P281 V283 A290 T291 F292P281-D288 HydrophobicContact CB-CB 4.31Å; P281-D288 WeakPolarHBondContact O-CB 3.48Å; P281-D288 PolarHBondContact O-N 3.2Å; V283-D288 HydrophobicContact CG2-CB 3.87Å; D288-A290 VanDerWaalsContact C-N 3.31Å; D288-A290 WeakPolarHBondContact OD1-CB 3.42Å; D288-A290 PolarHBondContact OD1-N 2.95Å; D288-T291 PolarHBondContact OD1-N 3.07Å; D288-T291 WeakPolarHBondContact OD2-CB 3.44Å; D288-T291 PolarHBondContact OD2-OG1 2.73Å; D288-F292 PolarHBondContact O-N 2.87Å
289L98.8Very high98.5Very high2 Ų247.8 Ų47.81%0.0125%0.25CS..Hα-helixtrans-76.2-17.5179-56.2-168.1000113.2L173 P174 F199 F239 M280 L287 W293L173-L289 HydrophobicContact CD2-CD1 4.36Å; L173-L289 HydrophobicContact CD2-CD2 4.13Å; P174-L289 HydrophobicContact CG-CD1 3.59Å; P174-L289 HydrophobicContact CG-CG 3.7Å; F199-L289 HydrophobicContact CD1-CB 4.21Å; F199-L289 HydrophobicContact CD2-CB 3.87Å; F199-L289 HydrophobicContact CD2-CD1 4.49Å; F199-L289 HydrophobicContact CE1-CB 4.11Å; F199-L289 HydrophobicContact CE2-CB 3.76Å; F199-L289 HydrophobicContact CE2-CD1 3.81Å; F199-L289 HydrophobicContact CE2-CG 4.28Å; F199-L289 HydrophobicContact CG-CB 4.08Å; F199-L289 HydrophobicContact CZ-CB 3.87Å; F199-L289 HydrophobicContact CZ-CD1 4.15Å; F199-L289 HydrophobicContact CZ-CG 4.3Å; F239-L289 HydrophobicContact CE1-CD1 4.43Å; F239-L289 HydrophobicContact CE1-CD2 3.76Å; F239-L289 HydrophobicContact CZ-CD1 4.32Å; F239-L289 HydrophobicContact CZ-CD2 3.76Å; M280-L289 HydrophobicContact SD-CD2 4.24Å; L287-L289 HydrophobicContact CB-CD2 4.27Å; L287-L289 PolarHBondContact O-N 3.13Å; L289-W293 WeakPolarHBondContact O-CB 3.39Å; L289-W293 PolarHBondContact O-N 3.41Å
290A98.8Very high98.5Very high37 Ų3751.5 Ų51.531%0.30626%0.263SS..Hα-helixtrans-67.9-47.7175.100000110.5F199 D288 F292 W293 Q294F199-A290 HydrophobicContact CB-CB 4.37Å; F199-A290 HydrophobicContact CD1-CB 4.22Å; D288-A290 VanDerWaalsContact C-N 3.31Å; D288-A290 WeakPolarHBondContact OD1-CB 3.42Å; D288-A290 PolarHBondContact OD1-N 2.95Å; A290-F292 PolarHBondContact O-N 2.9Å; A290-W293 PolarHBondContact O-N 3.2Å; A290-Q294 WeakPolarHBondContact O-CB 3.38Å; A290-Q294 PolarHBondContact O-N 3Å
291T98.8Very high98.4Very high34 Ų3452.3 Ų52.321%0.20927%0.271CS..Hα-helixtrans-62.5-42.9174.2-64.50000111.5P281 D288 Q294 Q295P281-T291 HydrophobicContact CG-CG2 3.63Å; D288-T291 PolarHBondContact OD1-N 3.07Å; D288-T291 WeakPolarHBondContact OD2-CB 3.44Å; D288-T291 PolarHBondContact OD2-OG1 2.73Å; T291-Q294 PolarHBondContact O-N 2.68Å; T291-Q295 HydrophobicContact CG2-CG 4.27Å; T291-Q295 WeakPolarHBondContact O-CB 3.31Å; T291-Q295 VanDerWaalsContact O-CG 3.27Å; T291-Q295 WeakPolarHBondContact O-CG 3.29Å; T291-Q295 PolarHBondContact O-N 3.13Å
292F98.9Very high98.4Very high0 Ų053.6 Ų53.60%028%0.28CS..Hα-helixtrans-55.5-56.1175.4167.3-101000112.3F239 V243 V278 T279 M280 D288 A290 Q294 Q295 W296 F310F239-F292 HydrophobicContact CE2-CD1 4.01Å; F239-F292 AromaticContact CE2-CE1 3.62Å; F239-F292 HydrophobicContact CE2-CE1 3.62Å; F239-F292 HydrophobicContact CE2-CZ 4.39Å; F239-F292 AromaticContact CZ-CD1 3.6Å; F239-F292 HydrophobicContact CZ-CD1 3.6Å; F239-F292 AromaticContact CZ-CE1 3.47Å; F239-F292 HydrophobicContact CZ-CE1 3.47Å; F239-F292 VanDerWaalsContact CZ-CE1 3.47Å; F239-F292 HydrophobicContact CZ-CG 4.29Å; F239-F292 HydrophobicContact CZ-CZ 4.04Å; V243-F292 HydrophobicContact CG2-CE1 4.4Å; V243-F292 HydrophobicContact CG2-CZ 4.28Å; V278-F292 HydrophobicContact CG1-CD2 3.63Å; V278-F292 HydrophobicContact CG1-CE2 3.67Å; T279-F292 VanDerWaalsContact O-CA 3.31Å; T279-F292 WeakPolarHBondContact O-CA 3.31Å; M280-F292 HydrophobicContact CE-CD1 4.41Å; M280-F292 HydrophobicContact CE-CD2 3.42Å; M280-F292 VanDerWaalsContact CE-CD2 3.42Å; M280-F292 HydrophobicContact CE-CE1 4.45Å; M280-F292 HydrophobicContact CE-CE2 3.45Å; M280-F292 VanDerWaalsContact CE-CE2 3.45Å; M280-F292 HydrophobicContact CE-CG 3.93Å; M280-F292 HydrophobicContact CE-CZ 4Å; M280-F292 HydrophobicContact CG-CB 4.02Å; M280-F292 HydrophobicContact CG-CD2 3.78Å; M280-F292 HydrophobicContact CG-CG 4.1Å; M280-F292 HydrophobicContact SD-CD2 4.37Å; D288-F292 PolarHBondContact O-N 2.87Å; A290-F292 PolarHBondContact O-N 2.9Å; F292-Q294 VanDerWaalsContact C-N 3.33Å; F292-Q294 PolarHBondContact O-N 3.31Å; F292-Q295 PolarHBondContact O-N 3.37Å; F292-W296 HydrophobicContact CD2-CB 4.38Å; F292-W296 HydrophobicContact CE1-CB 4.42Å; F292-W296 HydrophobicContact CE2-CB 3.94Å; F292-W296 AromaticContact CE2-CD1 3.94Å; F292-W296 HydrophobicContact CE2-CG 4.04Å; F292-W296 HydrophobicContact CZ-CB 3.95Å; F292-W296 AromaticContact CZ-CD1 3.98Å; F292-W296 HydrophobicContact CZ-CD2 4.41Å; F292-W296 AromaticContact CZ-CG 3.84Å; F292-W296 HydrophobicContact CZ-CG 3.84Å; F292-W296 VanDerWaalsContact O-CB 3.26Å; F292-W296 WeakPolarHBondContact O-CB 3.17Å; F292-W296 PolarHBondContact O-N 3.03Å; F292-F310 AromaticContact CE2-CD2 3.96Å; F292-F310 HydrophobicContact CE2-CD2 3.96Å; F292-F310 HydrophobicContact CZ-CB 4.47Å; F292-F310 AromaticContact CZ-CD2 3.62Å; F292-F310 HydrophobicContact CZ-CD2 3.62Å; F292-F310 HydrophobicContact CZ-CE2 4.41Å; F292-F310 HydrophobicContact CZ-CG 4.49Å
293W98.8Very high98.5Very high0 Ų052.6 Ų52.60%028%0.284CS..Hα-helixtrans-65.2-39.2-175.5-78.6117.1000111.5L192 Q195 V200 F239 A242 V243 L289 A290 Q295 W296 L297L192-W293 HydrophobicContact CD1-CH2 3.88Å; L192-W293 HydrophobicContact CD1-CZ2 4.47Å; L192-W293 HydrophobicContact CD1-CZ3 4.18Å; Q195-W293 HydrophobicContact CB-CZ2 3.84Å; Q195-W293 HydrophobicContact CG-CZ2 3.94Å; V200-W293 HydrophobicContact CG2-CB 3.51Å; V200-W293 HydrophobicContact CG2-CD2 4.43Å; V200-W293 HydrophobicContact CG2-CG 3.79Å; F239-W293 HydrophobicContact CD2-CZ2 4.2Å; F239-W293 AromaticContact CE2-CE2 3.97Å; F239-W293 AromaticContact CE2-CZ2 3.71Å; F239-W293 HydrophobicContact CE2-CZ2 3.71Å; A242-W293 HydrophobicContact CB-CH2 4.26Å; A242-W293 HydrophobicContact CB-CZ2 4.07Å; V243-W293 HydrophobicContact CG2-CH2 3.81Å; V243-W293 HydrophobicContact CG2-CZ2 4.34Å; V243-W293 HydrophobicContact CG2-CZ3 4.48Å; L289-W293 WeakPolarHBondContact O-CB 3.39Å; L289-W293 PolarHBondContact O-N 3.41Å; A290-W293 PolarHBondContact O-N 3.2Å; W293-Q295 PolarHBondContact O-N 2.91Å; W293-W296 HydrophobicContact CE3-CE3 4.29Å; W293-W296 HydrophobicContact CZ3-CE3 4.04Å; W293-W296 HydrophobicContact CZ3-CZ3 4.16Å; W293-L297 HydrophobicContact CB-CD1 4.43Å; W293-L297 HydrophobicContact CE3-CD1 4.18Å; W293-L297 HydrophobicContact CE3-CD2 4.45Å; W293-L297 HydrophobicContact CE3-CG 4.07Å; W293-L297 WeakPolarHBondContact O-CB 3.16Å; W293-L297 VanDerWaalsContact O-CG 3.3Å; W293-L297 WeakPolarHBondContact O-CG 3.27Å; W293-L297 PolarHBondContact O-N 3.46Å
294Q98.7Very high98.5Very high123 Ų12350.7 Ų50.758%0.57527%0.271SS*.Hα-helixtrans-57-49.9174.1-175.4-165.5-12.100110.8A290 T291 F292 N298A290-Q294 WeakPolarHBondContact O-CB 3.38Å; A290-Q294 PolarHBondContact O-N 3Å; T291-Q294 PolarHBondContact O-N 2.68Å; F292-Q294 VanDerWaalsContact C-N 3.33Å; F292-Q294 PolarHBondContact O-N 3.31Å; Q294-N298 WeakPolarHBondContact O-CB 3.34Å; Q294-N298 PolarHBondContact O-N 2.84Å; Q294-N298 PolarHBondContact O-ND2 2.83Å
295Q98.8Very high98.6Very high56 Ų5647 Ų4726%0.26225%0.25SC..Hα-helixtrans-69.9-45.6-177.7-68.8169.4-8.600112.1P277 T279 T291 F292 W293 N298 W299P277-Q295 PolarHBondContact O-OE1 3.17Å; T279-Q295 PolarHBondContact O-OE1 3.19Å; T279-Q295 PolarHBondContact OG1-NE2 3.38Å; T279-Q295 PolarHBondContact OG1-OE1 3.39Å; T291-Q295 HydrophobicContact CG2-CG 4.27Å; T291-Q295 WeakPolarHBondContact O-CB 3.31Å; T291-Q295 VanDerWaalsContact O-CG 3.27Å; T291-Q295 WeakPolarHBondContact O-CG 3.29Å; T291-Q295 PolarHBondContact O-N 3.13Å; F292-Q295 PolarHBondContact O-N 3.37Å; W293-Q295 PolarHBondContact O-N 2.91Å; Q295-N298 PolarHBondContact O-N 2.9Å; Q295-W299 WeakPolarHBondContact O-CB 3.26Å; Q295-W299 PolarHBondContact O-N 3Å; Q295-W299 VanDerWaalsContact O-N 3.09Å
296W98.8Very high98.6Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-70.4-38.6-174.8-171.694.3000112.7V243 A246 L247 V278 F292 W293 W299 R306V243-W296 HydrophobicContact CG1-CH2 4.19Å; V243-W296 HydrophobicContact CG1-CZ2 3.74Å; A246-W296 HydrophobicContact CB-CH2 3.95Å; A246-W296 HydrophobicContact CB-CZ3 3.87Å; L247-W296 HydrophobicContact CD1-CH2 4.47Å; L247-W296 HydrophobicContact CD1-CZ2 4.05Å; L247-W296 HydrophobicContact CD2-CH2 3.44Å; L247-W296 VanDerWaalsContact CD2-CH2 3.44Å; L247-W296 HydrophobicContact CD2-CZ2 3.58Å; L247-W296 HydrophobicContact CG-CH2 3.66Å; L247-W296 HydrophobicContact CG-CZ2 3.74Å; V278-W296 HydrophobicContact CG1-CB 3.84Å; V278-W296 HydrophobicContact CG1-CG 4.33Å; V278-W296 HydrophobicContact CG2-CB 4.1Å; V278-W296 HydrophobicContact CG2-CG 4.41Å; F292-W296 HydrophobicContact CD2-CB 4.38Å; F292-W296 HydrophobicContact CE1-CB 4.42Å; F292-W296 HydrophobicContact CE2-CB 3.94Å; F292-W296 AromaticContact CE2-CD1 3.94Å; F292-W296 HydrophobicContact CE2-CG 4.04Å; F292-W296 HydrophobicContact CZ-CB 3.95Å; F292-W296 AromaticContact CZ-CD1 3.98Å; F292-W296 HydrophobicContact CZ-CD2 4.41Å; F292-W296 AromaticContact CZ-CG 3.84Å; F292-W296 HydrophobicContact CZ-CG 3.84Å; F292-W296 VanDerWaalsContact O-CB 3.26Å; F292-W296 WeakPolarHBondContact O-CB 3.17Å; F292-W296 PolarHBondContact O-N 3.03Å; W293-W296 HydrophobicContact CE3-CE3 4.29Å; W293-W296 HydrophobicContact CZ3-CE3 4.04Å; W293-W296 HydrophobicContact CZ3-CZ3 4.16Å; W296-W299 PolarHBondContact O-N 2.91Å; W296-R306 HydrophobicContact CZ2-CB 3.9Å; W296-R306 PolarHBondContact NE1-O 3.27Å; W296-R306 PolarHBondContact O-NH2 3.13Å
297L98.7Very high98.6Very high1 Ų140.3 Ų40.31%0.00522%0.215CC..Hα-helixtrans-70.2-33.5175.9-71.2169.5000112.4V200 Y206 E208 W293 W299 Q300V200-L297 HydrophobicContact CG1-CD1 3.75Å; V200-L297 HydrophobicContact CG2-CD1 4.16Å; Y206-L297 HydrophobicContact CD1-CB 3.69Å; Y206-L297 HydrophobicContact CD1-CD1 4.28Å; Y206-L297 HydrophobicContact CD1-CD2 4.43Å; Y206-L297 HydrophobicContact CD1-CG 4.36Å; Y206-L297 HydrophobicContact CD2-CD1 4.09Å; Y206-L297 HydrophobicContact CE1-CB 3.57Å; Y206-L297 HydrophobicContact CE1-CD1 4.37Å; Y206-L297 HydrophobicContact CE2-CD1 4.18Å; Y206-L297 HydrophobicContact CG-CB 4.36Å; Y206-L297 HydrophobicContact CG-CD1 4.12Å; Y206-L297 HydrophobicContact CG-CD2 4.49Å; E208-L297 HydrophobicContact CB-CD2 4.01Å; E208-L297 HydrophobicContact CG-CD2 4.14Å; W293-L297 HydrophobicContact CB-CD1 4.43Å; W293-L297 HydrophobicContact CE3-CD1 4.18Å; W293-L297 HydrophobicContact CE3-CD2 4.45Å; W293-L297 HydrophobicContact CE3-CG 4.07Å; W293-L297 WeakPolarHBondContact O-CB 3.16Å; W293-L297 VanDerWaalsContact O-CG 3.3Å; W293-L297 WeakPolarHBondContact O-CG 3.27Å; W293-L297 PolarHBondContact O-N 3.46Å; L297-W299 VanDerWaalsContact C-N 3.35Å; L297-Q300 PolarHBondContact O-NE2 2.86Å
298N98.3Very high98.6Very high84 Ų8442.3 Ų42.345%0.44922%0.223SC..THydrogen-bonded Turntrans-87.6-1179-70.9-69.5000113.9Y206 Q294 Q295 Q300Y206-N298 PolarHBondContact OH-ND2 2.83Å; Y206-N298 VanDerWaalsContact OH-ND2 3.07Å; Q294-N298 WeakPolarHBondContact O-CB 3.34Å; Q294-N298 PolarHBondContact O-N 2.84Å; Q294-N298 PolarHBondContact O-ND2 2.83Å; Q295-N298 PolarHBondContact O-N 2.9Å; N298-Q300 PolarHBondContact O-OE1 3.05Å; N298-Q300 VanDerWaalsContact O-OE1 3.08Å
299W98.5Very high98.6Very high40 Ų4040.6 Ų40.615%0.15221%0.214CC..  trans-98.997.5175.1-176.859.2000111V274 H276 P277 V278 Q295 W296 L297 A301 Q305 R306 A309V274-W299 HydrophobicContact CG1-CH2 4Å; V274-W299 HydrophobicContact CG2-CH2 4.34Å; V274-W299 HydrophobicContact CG2-CZ2 4.27Å; H276-W299 HydrophobicContact CB-CD2 4.24Å; H276-W299 HydrophobicContact CB-CE3 4.23Å; H276-W299 HydrophobicContact CB-CH2 3.51Å; H276-W299 HydrophobicContact CB-CZ2 3.52Å; H276-W299 HydrophobicContact CB-CZ3 3.88Å; P277-W299 VanDerWaalsContact CD-CD1 3.44Å; P277-W299 HydrophobicContact CG-CB 4.14Å; P277-W299 HydrophobicContact CG-CG 3.85Å; V278-W299 HydrophobicContact CG2-CB 4.36Å; V278-W299 HydrophobicContact CG2-CD2 4.41Å; V278-W299 HydrophobicContact CG2-CE3 3.97Å; Q295-W299 WeakPolarHBondContact O-CB 3.26Å; Q295-W299 PolarHBondContact O-N 3Å; Q295-W299 VanDerWaalsContact O-N 3.09Å; W296-W299 PolarHBondContact O-N 2.91Å; L297-W299 VanDerWaalsContact C-N 3.35Å; W299-A301 HydrophobicContact CD2-CB 4.09Å; W299-A301 HydrophobicContact CE3-CB 4.13Å; W299-A301 HydrophobicContact CH2-CB 3.7Å; W299-A301 HydrophobicContact CZ2-CB 3.63Å; W299-A301 HydrophobicContact CZ3-CB 3.94Å; W299-A301 PolarHBondContact O-N 2.92Å; W299-Q305 HydrophobicContact CH2-CB 3.96Å; W299-R306 HydrophobicContact CE3-CG 4.19Å; W299-R306 HydrophobicContact CZ3-CG 4.16Å; W299-R306 PolarHBondContact O-NE 3.02Å; W299-A309 HydrophobicContact CE3-CB 4.13Å; W299-A309 HydrophobicContact CH2-CB 4.04Å; W299-A309 HydrophobicContact CZ3-CB 3.39Å
300Q98.1Very high98.6Very high138 Ų13840.5 Ų40.565%0.64521%0.213SC*.  trans-79.6115.9176-73.868.450.900110.7L297 N298L297-Q300 PolarHBondContact O-NE2 2.86Å; N298-Q300 PolarHBondContact O-OE1 3.05Å; N298-Q300 VanDerWaalsContact O-OE1 3.08Å
301A98.3Very high98.5Very high25 Ų2538.9 Ų38.921%0.20720%0.199CC..  trans-149.4164.8176.900000109.7W299 Q305 R306W299-A301 HydrophobicContact CD2-CB 4.09Å; W299-A301 HydrophobicContact CE3-CB 4.13Å; W299-A301 HydrophobicContact CH2-CB 3.7Å; W299-A301 HydrophobicContact CZ2-CB 3.63Å; W299-A301 HydrophobicContact CZ3-CB 3.94Å; W299-A301 PolarHBondContact O-N 2.92Å; A301-Q305 HydrophobicContact CB-CB 4.07Å; A301-R306 HydrophobicContact CB-CG 4Å; A301-R306 WeakPolarHBondContact O-CD 3.33Å
302P98.4Very high98.5Very high73 Ų7339.5 Ų39.547%0.47420%0.202SC..  trans-47.8143167.6-29.637000112.3N304 Q305 R306P302-N304 VanDerWaalsContact CB-OD1 3.29Å; P302-N304 WeakPolarHBondContact CB-OD1 3.48Å; P302-N304 PolarHBondContact O-N 2.82Å; P302-N304 VanDerWaalsContact O-N 3.15Å; P302-Q305 HydrophobicContact CB-CG 4.34Å; P302-Q305 WeakPolarHBondContact O-CA 3.35Å; P302-Q305 WeakPolarHBondContact O-CB 3.48Å; P302-Q305 PolarHBondContact O-N 2.82Å; P302-R306 PolarHBondContact O-N 2.97Å
303V98.4Very high98.5Very high77 Ų7739.6 Ų39.647%0.46720%0.202SC..Hα-helixtrans-59.3-32-171.5-68.80000113.6L247 L267 R306 A307L247-V303 HydrophobicContact CD2-CG1 4.39Å; L267-V303 HydrophobicContact CD1-CG2 4.11Å; L267-V303 HydrophobicContact CD2-CB 4.2Å; L267-V303 HydrophobicContact CD2-CG2 4.29Å; V303-R306 PolarHBondContact O-N 2.92Å; V303-A307 WeakPolarHBondContact O-CB 3.47Å; V303-A307 PolarHBondContact O-N 2.84Å
304N98.5Very high98.5Very high39 Ų3939.6 Ų39.621%0.20920%0.202CC..Hα-helixtrans-67.9-37.3173.962.3-22.4000113L267 S270 C271 P302 A307 W308L267-N304 HydrophobicContact CD1-CB 4.03Å; L267-N304 HydrophobicContact CG-CB 4.37Å; L267-N304 VanDerWaalsContact O-CB 3.31Å; L267-N304 WeakPolarHBondContact O-CB 3.41Å; S270-N304 PolarHBondContact O-ND2 2.76Å; S270-N304 WeakPolarHBondContact OG-CB 3.4Å; S270-N304 PolarHBondContact OG-ND2 3.15Å; C271-N304 HydrophobicContact CB-CB 4.44Å; P302-N304 VanDerWaalsContact CB-OD1 3.29Å; P302-N304 WeakPolarHBondContact CB-OD1 3.48Å; P302-N304 PolarHBondContact O-N 2.82Å; P302-N304 VanDerWaalsContact O-N 3.15Å; N304-A307 PolarHBondContact O-N 3.23Å; N304-W308 WeakPolarHBondContact O-CB 3.25Å; N304-W308 PolarHBondContact O-N 3.26Å
305Q98.6Very high98.4Very high60 Ų6035.2 Ų35.228%0.2819%0.187SC..Hα-helixtrans-67.8-38.3173.8-67.9-1771100111.5V274 W299 A301 P302 W308 A309V274-Q305 HydrophobicContact CB-CG 4.27Å; V274-Q305 HydrophobicContact CG1-CB 4.04Å; V274-Q305 HydrophobicContact CG1-CG 4.22Å; V274-Q305 HydrophobicContact CG2-CG 4.24Å; W299-Q305 HydrophobicContact CH2-CB 3.96Å; A301-Q305 HydrophobicContact CB-CB 4.07Å; P302-Q305 HydrophobicContact CB-CG 4.34Å; P302-Q305 WeakPolarHBondContact O-CA 3.35Å; P302-Q305 WeakPolarHBondContact O-CB 3.48Å; P302-Q305 PolarHBondContact O-N 2.82Å; Q305-W308 PolarHBondContact O-N 2.82Å; Q305-A309 WeakPolarHBondContact O-CB 3.47Å; Q305-A309 PolarHBondContact O-N 3.21Å
306R98.7Very high98.4Very high18 Ų1837.9 Ų37.97%0.06820%0.199CC..Hα-helixtrans-66.3-41.3174.6-63.2-173.376.7-177.29.8112.5E208 L247 W296 W299 A301 P302 V303 F310E208-R306 IonicContact OE1-CZ 3.88Å; E208-R306 VanDerWaalsContact OE1-CZ 3.24Å; E208-R306 IonicContact OE1-NH1 3.25Å; E208-R306 PolarHBondContact OE1-NH1 3.19Å; E208-R306 IonicContact OE1-NH2 3.14Å; E208-R306 PolarHBondContact OE1-NH2 3.42Å; L247-R306 HydrophobicContact CD1-CB 4.48Å; L247-R306 HydrophobicContact CD2-CB 3.94Å; W296-R306 HydrophobicContact CZ2-CB 3.9Å; W296-R306 PolarHBondContact NE1-O 3.27Å; W296-R306 PolarHBondContact O-NH2 3.13Å; W299-R306 HydrophobicContact CE3-CG 4.19Å; W299-R306 HydrophobicContact CZ3-CG 4.16Å; W299-R306 PolarHBondContact O-NE 3.02Å; A301-R306 HydrophobicContact CB-CG 4Å; A301-R306 WeakPolarHBondContact O-CD 3.33Å; P302-R306 PolarHBondContact O-N 2.97Å; V303-R306 PolarHBondContact O-N 2.92Å; R306-F310 PolarHBondContact O-N 3.28Å; R306-F310 VanDerWaalsContact O-N 3.16Å
307A98.5Very high98.3Very high0 Ų038 Ų380%020%0.201CC..Hα-helixtrans-61.6-45.6172.600000110.9L247 L264 L267 A268 V303 N304 F310 H311L247-A307 HydrophobicContact CD1-CB 3.89Å; L264-A307 HydrophobicContact CD1-CB 3.7Å; L264-A307 HydrophobicContact CG-CB 4.5Å; L267-A307 HydrophobicContact CB-CB 4.35Å; L267-A307 HydrophobicContact CD2-CB 4.13Å; L267-A307 HydrophobicContact CG-CB 4.05Å; A268-A307 HydrophobicContact CB-CB 3.87Å; V303-A307 WeakPolarHBondContact O-CB 3.47Å; V303-A307 PolarHBondContact O-N 2.84Å; N304-A307 PolarHBondContact O-N 3.23Å; A307-F310 PolarHBondContact O-N 2.66Å; A307-H311 PolarHBondContact O-N 3.16Å; A307-H311 PolarHBondContact O-ND1 3.08Å
308W98.3Very high98.3Very high46 Ų4638.2 Ų38.217%0.17420%0.201CC..Hα-helixtrans-60.7-47.8177-169.293.4000112.5A268 C271 V274 H276 N304 Q305 F310 H311 D312A268-W308 HydrophobicContact CB-CB 4.47Å; C271-W308 HydrophobicContact CB-CB 3.81Å; C271-W308 HydrophobicContact CB-CG 4.01Å; V274-W308 HydrophobicContact CG1-CD2 4.31Å; V274-W308 HydrophobicContact CG1-CE3 3.62Å; V274-W308 HydrophobicContact CG1-CZ3 4.19Å; V274-W308 WeakPolarHBondContact O-CZ3 3.33Å; H276-W308 AromaticContact CD2-CE3 3.76Å; H276-W308 AromaticContact CD2-CZ3 3.49Å; H276-W308 VanDerWaalsContact CD2-CZ3 3.49Å; H276-W308 WeakPolarHBondContact CD2-CZ3 3.47Å; H276-W308 AromaticContact NE2-CE3 3.8Å; H276-W308 AromaticContact NE2-CZ3 3.35Å; H276-W308 WeakPolarHBondContact NE2-CZ3 3.5Å; N304-W308 WeakPolarHBondContact O-CB 3.25Å; N304-W308 PolarHBondContact O-N 3.26Å; Q305-W308 PolarHBondContact O-N 2.82Å; W308-F310 PolarHBondContact O-N 3.38Å; W308-H311 PolarHBondContact O-N 3.11Å; W308-D312 HydrophobicContact CE3-CB 4.07Å; W308-D312 HydrophobicContact CH2-CB 3.88Å; W308-D312 HydrophobicContact CZ2-CB 4.47Å; W308-D312 HydrophobicContact CZ3-CB 3.67Å; W308-D312 PolarHBondContact O-N 3.06Å
309A98.5Very high98.3Very high0 Ų035.9 Ų35.90%019%0.194CC..Hα-helixtrans-63.2-2918000000113.7H276 V278 W299 Q305 A313H276-A309 HydrophobicContact CB-CB 3.97Å; H276-A309 VanDerWaalsContact CD2-CB 3.41Å; H276-A309 WeakPolarHBondContact CD2-CB 3.33Å; H276-A309 VanDerWaalsContact CG-CB 3.5Å; H276-A309 WeakPolarHBondContact NE2-CA 3.41Å; V278-A309 HydrophobicContact CB-CB 4.44Å; V278-A309 HydrophobicContact CG2-CB 4.3Å; W299-A309 HydrophobicContact CE3-CB 4.13Å; W299-A309 HydrophobicContact CH2-CB 4.04Å; W299-A309 HydrophobicContact CZ3-CB 3.39Å; Q305-A309 WeakPolarHBondContact O-CB 3.47Å; Q305-A309 PolarHBondContact O-N 3.21Å; A309-A313 WeakPolarHBondContact O-CB 3.18Å; A309-A313 PolarHBondContact O-N 2.87Å
310F98.6Very high98.3Very high0 Ų036 Ų360%020%0.203CC..Hα-helixtrans-65-48.1170.9158.8-108.4000111.5F239 F240 V243 L264 M280 F292 R306 A307 W308 A313 L314F239-F310 AromaticContact CD1-CE2 3.97Å; F239-F310 HydrophobicContact CD1-CE2 3.97Å; F239-F310 HydrophobicContact CD1-CZ 4.41Å; F239-F310 HydrophobicContact CD2-CE2 4.46Å; F239-F310 AromaticContact CE1-CE2 3.73Å; F239-F310 HydrophobicContact CE1-CE2 3.73Å; F239-F310 HydrophobicContact CE2-CE2 4.22Å; F239-F310 HydrophobicContact CG-CE2 4.34Å; F239-F310 HydrophobicContact CZ-CD2 4.44Å; F239-F310 AromaticContact CZ-CE2 3.85Å; F239-F310 HydrophobicContact CZ-CE2 3.85Å; F240-F310 AromaticContact CD1-CE1 3.82Å; F240-F310 HydrophobicContact CD1-CE1 3.82Å; F240-F310 HydrophobicContact CD1-CZ 4.43Å; F240-F310 AromaticContact CD2-CE1 3.98Å; F240-F310 HydrophobicContact CD2-CE1 3.98Å; F240-F310 AromaticContact CD2-CZ 3.79Å; F240-F310 HydrophobicContact CD2-CZ 3.79Å; F240-F310 AromaticContact CE1-CE1 3.71Å; F240-F310 HydrophobicContact CE1-CE1 3.71Å; F240-F310 HydrophobicContact CE1-CZ 4.47Å; F240-F310 AromaticContact CE2-CE1 3.89Å; F240-F310 HydrophobicContact CE2-CE1 3.89Å; F240-F310 AromaticContact CE2-CZ 3.86Å; F240-F310 HydrophobicContact CE2-CZ 3.86Å; F240-F310 AromaticContact CG-CE1 3.95Å; F240-F310 HydrophobicContact CG-CE1 3.95Å; F240-F310 HydrophobicContact CG-CZ 4.1Å; F240-F310 AromaticContact CZ-CE1 3.75Å; F240-F310 HydrophobicContact CZ-CE1 3.75Å; F240-F310 HydrophobicContact CZ-CZ 4.2Å; V243-F310 HydrophobicContact CB-CD1 4.47Å; V243-F310 HydrophobicContact CB-CD2 4.48Å; V243-F310 HydrophobicContact CB-CG 4.4Å; V243-F310 HydrophobicContact CG1-CB 4.12Å; V243-F310 HydrophobicContact CG1-CD1 4.13Å; V243-F310 HydrophobicContact CG1-CD2 4.4Å; V243-F310 HydrophobicContact CG1-CG 3.94Å; V243-F310 HydrophobicContact CG2-CD2 3.71Å; V243-F310 HydrophobicContact CG2-CE2 3.74Å; V243-F310 HydrophobicContact CG2-CG 4.09Å; V243-F310 HydrophobicContact CG2-CZ 4.18Å; L264-F310 HydrophobicContact CD2-CD1 3.75Å; L264-F310 HydrophobicContact CD2-CE1 3.7Å; M280-F310 HydrophobicContact CE-CD2 3.79Å; M280-F310 HydrophobicContact CE-CE2 3.87Å; F292-F310 AromaticContact CE2-CD2 3.96Å; F292-F310 HydrophobicContact CE2-CD2 3.96Å; F292-F310 HydrophobicContact CZ-CB 4.47Å; F292-F310 AromaticContact CZ-CD2 3.62Å; F292-F310 HydrophobicContact CZ-CD2 3.62Å; F292-F310 HydrophobicContact CZ-CE2 4.41Å; F292-F310 HydrophobicContact CZ-CG 4.49Å; R306-F310 PolarHBondContact O-N 3.28Å; R306-F310 VanDerWaalsContact O-N 3.16Å; A307-F310 PolarHBondContact O-N 2.66Å; W308-F310 PolarHBondContact O-N 3.38Å; F310-A313 PolarHBondContact O-N 3.11Å; F310-L314 HydrophobicContact CE2-CD2 4.43Å; F310-L314 HydrophobicContact CZ-CD2 4.08Å; F310-L314 WeakPolarHBondContact O-CB 3.2Å; F310-L314 PolarHBondContact O-N 3.08Å
311H98.5Very high98.3Very high2 Ų229.4 Ų29.41%0.00917%0.172CC..Hα-helixtrans-63.2-45.4179.5-68.481.8000111.2F240 A307 W308 L314 A315 N343 F345F240-H311 AromaticContact CE1-CD2 3.87Å; F240-H311 AromaticContact CE1-NE2 3.36Å; F240-H311 WeakPolarHBondContact CE1-NE2 3.33Å; F240-H311 AromaticContact CZ-CD2 3.93Å; F240-H311 AromaticContact CZ-NE2 3.92Å; A307-H311 PolarHBondContact O-N 3.16Å; A307-H311 PolarHBondContact O-ND1 3.08Å; W308-H311 PolarHBondContact O-N 3.11Å; H311-L314 PolarHBondContact O-N 3.32Å; H311-A315 WeakPolarHBondContact O-CB 3.01Å; H311-A315 PolarHBondContact O-N 2.89Å; H311-N343 PolarHBondContact CD2-ND2 3.48Å; H311-N343 PolarHBondContact NE2-ND2 3.12Å; H311-F345 HydrophobicContact CB-CB 3.85Å
312D98.1Very high98.3Very high48 Ų4828.3 Ų28.326%0.25716%0.163SC..Hα-helixtrans-61-48.7177.4-178.775.7000111.7H276 W308 L314 A315 Q316H276-D312 IonicContact CE1-OD2 3.28Å; H276-D312 PolarHBondContact CE1-OD2 3.32Å; H276-D312 VanDerWaalsContact CE1-OD2 3.25Å; H276-D312 IonicContact NE2-OD2 3.47Å; H276-D312 PolarHBondContact NE2-OD2 2.92Å; H276-D312 VanDerWaalsContact NE2-OD2 3.14Å; W308-D312 HydrophobicContact CE3-CB 4.07Å; W308-D312 HydrophobicContact CH2-CB 3.88Å; W308-D312 HydrophobicContact CZ2-CB 4.47Å; W308-D312 HydrophobicContact CZ3-CB 3.67Å; W308-D312 PolarHBondContact O-N 3.06Å; D312-L314 VanDerWaalsContact C-N 3.3Å; D312-L314 PolarHBondContact O-N 3.42Å; D312-A315 PolarHBondContact O-N 2.79Å; D312-Q316 WeakPolarHBondContact O-CB 3.49Å; D312-Q316 VanDerWaalsContact O-CG 3.31Å; D312-Q316 WeakPolarHBondContact O-CG 3.38Å; D312-Q316 PolarHBondContact O-N 3.22Å
313A98.4Very high98.3Very high1 Ų132.1 Ų32.11%0.00817%0.168CC..Hα-helixtrans-62-37.5179.100000112.7V278 M280 A309 F310 G317V278-A313 HydrophobicContact CB-CB 4.47Å; V278-A313 HydrophobicContact CG1-CB 3.89Å; M280-A313 HydrophobicContact CE-CB 4.39Å; M280-A313 HydrophobicContact CG-CB 4.1Å; A309-A313 WeakPolarHBondContact O-CB 3.18Å; A309-A313 PolarHBondContact O-N 2.87Å; F310-A313 PolarHBondContact O-N 3.11Å; A313-G317 PolarHBondContact O-N 2.9Å
314L98.5Very high98.3Very high1 Ų132.3 Ų32.31%0.00516%0.164CC..Hα-helixtrans-65.7-48.7175.8-174.567.2000111.5F239 F240 M280 L287 F310 H311 D312 G317 F318 T346F239-L314 HydrophobicContact CD1-CD1 4.29Å; F239-L314 HydrophobicContact CE1-CD1 4.12Å; F240-L314 HydrophobicContact CE2-CD2 3.69Å; F240-L314 HydrophobicContact CZ-CD2 4.27Å; M280-L314 HydrophobicContact CE-CB 3.77Å; M280-L314 HydrophobicContact CE-CD1 3.96Å; M280-L314 HydrophobicContact CE-CG 4.47Å; M280-L314 HydrophobicContact SD-CB 4.07Å; M280-L314 HydrophobicContact SD-CD1 3.6Å; M280-L314 VanDerWaalsContact SD-CD1 3.6Å; M280-L314 HydrophobicContact SD-CG 4.46Å; L287-L314 HydrophobicContact CD1-CD1 4.15Å; F310-L314 HydrophobicContact CE2-CD2 4.43Å; F310-L314 HydrophobicContact CZ-CD2 4.08Å; F310-L314 WeakPolarHBondContact O-CB 3.2Å; F310-L314 PolarHBondContact O-N 3.08Å; H311-L314 PolarHBondContact O-N 3.32Å; D312-L314 VanDerWaalsContact C-N 3.3Å; D312-L314 PolarHBondContact O-N 3.42Å; L314-G317 PolarHBondContact O-N 2.62Å; L314-F318 HydrophobicContact CD1-CD2 3.89Å; L314-F318 HydrophobicContact CD1-CE2 3.46Å; L314-F318 VanDerWaalsContact CD1-CE2 3.46Å; L314-F318 HydrophobicContact CD1-CZ 4.31Å; L314-F318 HydrophobicContact CD2-CE2 4.46Å; L314-F318 HydrophobicContact CG-CD2 3.95Å; L314-F318 HydrophobicContact CG-CE2 3.85Å; L314-F318 WeakPolarHBondContact O-CD2 3.45Å; L314-F318 PolarHBondContact O-N 2.85Å; L314-T346 HydrophobicContact CD2-CG2 4.24Å
315A97.6Very high98.3Very high31 Ų3131 Ų3126%0.25616%0.156SC..Hα-helixtrans-60.9-45.9178.500000111.4H311 D312 G317 F318 A319H311-A315 WeakPolarHBondContact O-CB 3.01Å; H311-A315 PolarHBondContact O-N 2.89Å; D312-A315 PolarHBondContact O-N 2.79Å; A315-G317 PolarHBondContact O-N 3.24Å; A315-F318 PolarHBondContact O-N 3.43Å; A315-A319 WeakPolarHBondContact O-CB 3.22Å; A315-A319 PolarHBondContact O-N 2.65Å
316Q97.7Very high98.3Very high112 Ų11228.4 Ų28.452%0.52315%0.146SC..Hα-helixtrans-63.2-41.6176.7-69.3-62.9-2500112.4D312 A319 A320D312-Q316 WeakPolarHBondContact O-CB 3.49Å; D312-Q316 VanDerWaalsContact O-CG 3.31Å; D312-Q316 WeakPolarHBondContact O-CG 3.38Å; D312-Q316 PolarHBondContact O-N 3.22Å; Q316-A319 PolarHBondContact O-N 2.97Å; Q316-A320 WeakPolarHBondContact O-CB 3.43Å; Q316-A320 PolarHBondContact O-N 2.82Å
317G98.3Very high98.3Very high3 Ų332.4 Ų32.43%0.03117%0.172CC..Hα-helixtrans-59.5-50.617700000112M280 A313 L314 A315 A320 L321M280-G317 WeakPolarHBondContact O-CA 3.18Å; A313-G317 PolarHBondContact O-N 2.9Å; L314-G317 PolarHBondContact O-N 2.62Å; A315-G317 PolarHBondContact O-N 3.24Å; G317-A320 PolarHBondContact O-N 2.88Å; G317-L321 PolarHBondContact O-N 2.86Å; G317-L321 VanDerWaalsContact O-N 3.09Å
318F98.3Very high98.3Very high4 Ų439.1 Ų39.12%0.01821%0.205CC..Hα-helixtrans-67.7-38.9176.8-75.9-54.7000113L141 L143 L173 L287 L314 A315 A320 L321 M322L141-F318 HydrophobicContact CD1-CB 4.16Å; L141-F318 HydrophobicContact CD1-CD1 3.45Å; L141-F318 VanDerWaalsContact CD1-CD1 3.45Å; L141-F318 HydrophobicContact CD1-CD2 4.28Å; L141-F318 HydrophobicContact CD1-CE1 3.74Å; L141-F318 HydrophobicContact CD1-CE2 4.5Å; L141-F318 HydrophobicContact CD1-CG 3.74Å; L141-F318 HydrophobicContact CD1-CZ 4.24Å; L141-F318 HydrophobicContact CD2-CB 3.83Å; L141-F318 HydrophobicContact CD2-CD2 4.1Å; L141-F318 HydrophobicContact CD2-CG 3.94Å; L143-F318 HydrophobicContact CD1-CD2 4.37Å; L143-F318 HydrophobicContact CD1-CE2 4.06Å; L143-F318 HydrophobicContact CD2-CD2 4.36Å; L143-F318 HydrophobicContact CD2-CE1 4.35Å; L143-F318 HydrophobicContact CD2-CE2 3.61Å; L143-F318 HydrophobicContact CD2-CZ 3.59Å; L173-F318 HydrophobicContact CD1-CZ 4.3Å; L173-F318 HydrophobicContact CD2-CZ 4.39Å; L173-F318 HydrophobicContact CG-CZ 3.87Å; L287-F318 HydrophobicContact CD1-CD1 3.97Å; L287-F318 HydrophobicContact CD1-CD2 4.27Å; L287-F318 HydrophobicContact CD1-CE1 3.87Å; L287-F318 HydrophobicContact CD1-CE2 4.19Å; L287-F318 HydrophobicContact CD1-CG 4.19Å; L287-F318 HydrophobicContact CD1-CZ 4Å; L287-F318 HydrophobicContact CG-CD1 4.49Å; L287-F318 HydrophobicContact CG-CE1 4.4Å; L314-F318 HydrophobicContact CD1-CD2 3.89Å; L314-F318 HydrophobicContact CD1-CE2 3.46Å; L314-F318 VanDerWaalsContact CD1-CE2 3.46Å; L314-F318 HydrophobicContact CD1-CZ 4.31Å; L314-F318 HydrophobicContact CD2-CE2 4.46Å; L314-F318 HydrophobicContact CG-CD2 3.95Å; L314-F318 HydrophobicContact CG-CE2 3.85Å; L314-F318 WeakPolarHBondContact O-CD2 3.45Å; L314-F318 PolarHBondContact O-N 2.85Å; A315-F318 PolarHBondContact O-N 3.43Å; F318-A320 VanDerWaalsContact C-N 3.28Å; F318-A320 PolarHBondContact O-N 3.03Å; F318-L321 HydrophobicContact CD1-CD2 4.46Å; F318-L321 PolarHBondContact O-N 2.91Å; F318-L321 VanDerWaalsContact O-N 3.14Å; F318-M322 WeakPolarHBondContact O-CB 3.35Å; F318-M322 WeakPolarHBondContact O-CG 3.13Å; F318-M322 PolarHBondContact O-N 2.88Å
319A98Very high98.3Very high36 Ų3641.6 Ų41.630%0.29821%0.214SC..Hα-helixtrans-59.7-40.1175.300000111.6A315 Q316 R323A315-A319 WeakPolarHBondContact O-CB 3.22Å; A315-A319 PolarHBondContact O-N 2.65Å; Q316-A319 PolarHBondContact O-N 2.97Å; A319-R323 WeakPolarHBondContact O-CB 3.49Å; A319-R323 PolarHBondContact O-N 3.36Å
320A98.2Very high98.3Very high41 Ų4144.7 Ų44.734%0.33925%0.247SC..Hα-helixtrans-64.8-42.3174.600000112.1Q316 G317 F318 E324Q316-A320 WeakPolarHBondContact O-CB 3.43Å; Q316-A320 PolarHBondContact O-N 2.82Å; G317-A320 PolarHBondContact O-N 2.88Å; F318-A320 VanDerWaalsContact C-N 3.28Å; F318-A320 PolarHBondContact O-N 3.03Å; A320-E324 PolarHBondContact O-N 3.28Å
321L98.6Very high98.3Very high0 Ų045.7 Ų45.70%025%0.252CS..Hα-helixtrans-63.8-52.4176.7-178.362.6000111.5C159 R282 N285 G317 F318 R323 E324 Q325C159-L321 HydrophobicContact CB-CD2 3.67Å; C159-L321 HydrophobicContact CB-CG 4.13Å; R282-L321 HydrophobicContact CG-CD1 4.44Å; N285-L321 HydrophobicContact CB-CD1 4.11Å; G317-L321 PolarHBondContact O-N 2.86Å; G317-L321 VanDerWaalsContact O-N 3.09Å; F318-L321 HydrophobicContact CD1-CD2 4.46Å; F318-L321 PolarHBondContact O-N 2.91Å; F318-L321 VanDerWaalsContact O-N 3.14Å; L321-R323 PolarHBondContact O-N 2.82Å; L321-E324 PolarHBondContact O-N 3.26Å; L321-Q325 HydrophobicContact CD1-CG 4.4Å; L321-Q325 WeakPolarHBondContact O-CG 3.27Å; L321-Q325 PolarHBondContact O-N 3.21Å; L321-Q325 VanDerWaalsContact O-N 3.09Å
322M98.6Very high98.3Very high2 Ų252 Ų521%0.0129%0.291CS..Hα-helixtrans-62.7-41.9-178.9-67.2179.587.300112.1I139 L141 F318 E324 Q325 A326 L334 F336I139-M322 HydrophobicContact CG2-CB 4.2Å; I139-M322 HydrophobicContact CG2-CE 4.05Å; I139-M322 HydrophobicContact CG2-CG 4.15Å; I139-M322 WeakPolarHBondContact O-CE 3.42Å; L141-M322 HydrophobicContact CB-CE 3.66Å; L141-M322 HydrophobicContact CB-SD 3.62Å; L141-M322 HydrophobicContact CD2-SD 4.06Å; L141-M322 HydrophobicContact CG-SD 4.27Å; F318-M322 WeakPolarHBondContact O-CB 3.35Å; F318-M322 WeakPolarHBondContact O-CG 3.13Å; F318-M322 PolarHBondContact O-N 2.88Å; M322-E324 VanDerWaalsContact C-N 3.33Å; M322-E324 PolarHBondContact O-N 3.21Å; M322-Q325 PolarHBondContact O-N 3.37Å; M322-A326 WeakPolarHBondContact O-CB 3.16Å; M322-A326 PolarHBondContact O-N 3.42Å; M322-L334 HydrophobicContact CB-CD1 4.37Å; M322-L334 HydrophobicContact CE-CB 3.87Å; M322-L334 HydrophobicContact CE-CD1 4.19Å; M322-L334 HydrophobicContact CE-CD2 4.21Å; M322-L334 HydrophobicContact CE-CG 4.3Å; M322-F336 HydrophobicContact CE-CD1 4.48Å; M322-F336 HydrophobicContact CE-CE1 3.84Å; M322-F336 HydrophobicContact CE-CZ 3.85Å; M322-F336 HydrophobicContact SD-CD1 4.48Å; M322-F336 HydrophobicContact SD-CE1 3.56Å; M322-F336 VanDerWaalsContact SD-CE1 3.56Å; M322-F336 HydrophobicContact SD-CZ 3.87Å
323R98.5Very high98.3Very high154 Ų15452 Ų5258%0.58129%0.292SS*.Hα-helixtrans-57.7-46.7178.3-178.2-177-61.6126.23.4111.5A319 L321 T327A319-R323 WeakPolarHBondContact O-CB 3.49Å; A319-R323 PolarHBondContact O-N 3.36Å; L321-R323 PolarHBondContact O-N 2.82Å; R323-T327 VanDerWaalsContact O-CB 3.24Å; R323-T327 WeakPolarHBondContact O-CB 3.45Å; R323-T327 PolarHBondContact O-N 2.74Å; R323-T327 PolarHBondContact O-OG1 3.29Å
324E98.3Very high98.4Very high81 Ų8155.3 Ų55.338%0.37931%0.31SS..Hα-helixtrans-60.8-52.7177.4-175.469-163.300110.6R282 A320 L321 M322 A326 T327 M328R282-E324 IonicContact NH2-OE2 3.89Å; A320-E324 PolarHBondContact O-N 3.28Å; L321-E324 PolarHBondContact O-N 3.26Å; M322-E324 VanDerWaalsContact C-N 3.33Å; M322-E324 PolarHBondContact O-N 3.21Å; E324-A326 VanDerWaalsContact C-N 3.31Å; E324-A326 PolarHBondContact O-N 3.19Å; E324-T327 PolarHBondContact O-N 2.72Å; E324-M328 WeakPolarHBondContact O-CB 3.44Å; E324-M328 WeakPolarHBondContact O-CG 3.09Å; E324-M328 PolarHBondContact O-N 2.85Å; E324-M328 VanDerWaalsContact O-N 3.08Å
325Q98.6Very high98.4Very high10 Ų1055.7 Ų55.75%0.04731%0.312CS..Hα-helixtrans-62.2-38.9-176.1-64.9-52.6-38.100112.6I139 L170 N285 L321 M322 R329I139-Q325 HydrophobicContact CD1-CB 4.21Å; I139-Q325 HydrophobicContact CG1-CB 4.4Å; L170-Q325 HydrophobicContact CB-CG 4.25Å; L170-Q325 HydrophobicContact CD1-CB 3.86Å; L170-Q325 HydrophobicContact CD1-CG 3.94Å; N285-Q325 PolarHBondContact OD1-NE2 3.15Å; L321-Q325 HydrophobicContact CD1-CG 4.4Å; L321-Q325 WeakPolarHBondContact O-CG 3.27Å; L321-Q325 PolarHBondContact O-N 3.21Å; L321-Q325 VanDerWaalsContact O-N 3.09Å; M322-Q325 PolarHBondContact O-N 3.37Å; Q325-R329 WeakPolarHBondContact O-CG 3.48Å; Q325-R329 PolarHBondContact O-NH1 3.24Å
326A98.7Very high98.4Very high7 Ų758 Ų586%0.05832%0.316CS..Hα-helixtrans-71.8-48.8179.800000111.6I139 M322 E324 M328 R329 G330 I331 L334I139-A326 HydrophobicContact CB-CB 4.38Å; I139-A326 HydrophobicContact CG1-CB 3.71Å; M322-A326 WeakPolarHBondContact O-CB 3.16Å; M322-A326 PolarHBondContact O-N 3.42Å; E324-A326 VanDerWaalsContact C-N 3.31Å; E324-A326 PolarHBondContact O-N 3.19Å; A326-M328 PolarHBondContact O-N 3.49Å; A326-R329 CarbonylContact O-C 3.19Å; A326-R329 PolarHBondContact O-N 2.86Å; A326-R329 VanDerWaalsContact O-N 3.1Å; A326-G330 PolarHBondContact O-N 3.39Å; A326-I331 HydrophobicContact CB-CB 4.31Å; A326-I331 PolarHBondContact O-N 2.95Å; A326-L334 HydrophobicContact CB-CD2 3.82Å
327T98.5Very high98.4Very high102 Ų10253.6 Ų53.663%0.62630%0.298SS*.Hα-helixtrans-61.3-44.9-177.5-54.90000111.2R323 E324 R329 G330R323-T327 VanDerWaalsContact O-CB 3.24Å; R323-T327 WeakPolarHBondContact O-CB 3.45Å; R323-T327 PolarHBondContact O-N 2.74Å; R323-T327 PolarHBondContact O-OG1 3.29Å; E324-T327 PolarHBondContact O-N 2.72Å; T327-R329 PolarHBondContact O-N 2.71Å; T327-R329 VanDerWaalsContact O-N 3.16Å; T327-G330 PolarHBondContact O-N 3.43Å
328M97.6Very high98.4Very high141 Ų14153.8 Ų53.870%0.69530%0.3SS*.THydrogen-bonded Turntrans-65.1-18.2179.7-72.1-60.9-62.900113.8E324 A326E324-M328 WeakPolarHBondContact O-CB 3.44Å; E324-M328 WeakPolarHBondContact O-CG 3.09Å; E324-M328 PolarHBondContact O-N 2.85Å; E324-M328 VanDerWaalsContact O-N 3.08Å; A326-M328 PolarHBondContact O-N 3.49Å
329R98.5Very high98.2Very high97 Ų9755.6 Ų55.637%0.36632%0.32SS..THydrogen-bonded Turntrans-108.11179.6-68.9174.4-179.673.3-3.8113.4Q325 A326 T327 I331Q325-R329 WeakPolarHBondContact O-CG 3.48Å; Q325-R329 PolarHBondContact O-NH1 3.24Å; A326-R329 CarbonylContact O-C 3.19Å; A326-R329 PolarHBondContact O-N 2.86Å; A326-R329 VanDerWaalsContact O-N 3.1Å; T327-R329 PolarHBondContact O-N 2.71Å; T327-R329 VanDerWaalsContact O-N 3.16Å; R329-I331 HydrophobicContact CB-CD1 3.89Å; R329-I331 HydrophobicContact CB-CG1 4.02Å; R329-I331 PolarHBondContact O-N 3.25Å
330G98.4Very high98.2Very high66 Ų6654.8 Ų54.868%0.6831%0.311SS*.THydrogen-bonded Turntrans64.624.3-174.800000113.7A326 T327A326-G330 PolarHBondContact O-N 3.39Å; T327-G330 PolarHBondContact O-N 3.43Å
331I98.7Very high98.1Very high20 Ų2054.2 Ų54.210%0.10330%0.302CS..  trans-87.6130.4177.4-67170.1000108.8D137 I139 R161 A326 R329 T333D137-I331 HydrophobicContact CB-CD1 3.87Å; D137-I331 HydrophobicContact CB-CG1 4.4Å; I139-I331 HydrophobicContact CD1-CD1 3.72Å; I139-I331 HydrophobicContact CG1-CB 4.39Å; I139-I331 HydrophobicContact CG1-CD1 4Å; I139-I331 HydrophobicContact CG1-CG2 4.14Å; R161-I331 HydrophobicContact CG-CD1 4.39Å; A326-I331 HydrophobicContact CB-CB 4.31Å; A326-I331 PolarHBondContact O-N 2.95Å; R329-I331 HydrophobicContact CB-CD1 3.89Å; R329-I331 HydrophobicContact CB-CG1 4.02Å; R329-I331 PolarHBondContact O-N 3.25Å; I331-T333 VanDerWaalsContact CG2-O 3.31Å; I331-T333 WeakPolarHBondContact CG2-O 3.38Å
332T98.4Very high97.9Very high136 Ų13658 Ų5883%0.83432%0.319SS*.  trans-109.3-7.4-178.357.90000113.8
333T98.7Very high97.5Very high46 Ų4658.2 Ų58.228%0.28232%0.321SS..  trans-114.1127.3-176.7-54.40000109.8W131 V138 I139 I331W131-T333 HydrophobicContact CH2-CG2 4.2Å; W131-T333 HydrophobicContact CZ3-CG2 4.05Å; V138-T333 HydrophobicContact CG1-CG2 3.95Å; I139-T333 PolarHBondContact N-O 3.41Å; I331-T333 VanDerWaalsContact CG2-O 3.31Å; I331-T333 WeakPolarHBondContact CG2-O 3.38Å
334L98.7Very high96.7Very high71 Ų7156.8 Ų56.837%0.37232%0.321SS..EExtended strand (participates in β ladder)trans-108.6145.5174.9-53.7-175.2000109.4I139 M322 A326 F336I139-L334 HydrophobicContact CB-CD2 3.77Å; I139-L334 HydrophobicContact CG2-CD2 4.33Å; I139-L334 CarbonylContact O-C 3.56Å; I139-L334 VanDerWaalsContact O-CA 3.28Å; I139-L334 WeakPolarHBondContact O-CA 3.36Å; M322-L334 HydrophobicContact CB-CD1 4.37Å; M322-L334 HydrophobicContact CE-CB 3.87Å; M322-L334 HydrophobicContact CE-CD1 4.19Å; M322-L334 HydrophobicContact CE-CD2 4.21Å; M322-L334 HydrophobicContact CE-CG 4.3Å; A326-L334 HydrophobicContact CB-CD2 3.82Å; L334-F336 HydrophobicContact CB-CE2 3.9Å; L334-F336 HydrophobicContact CB-CZ 4.19Å; L334-F336 HydrophobicContact CD1-CZ 4.42Å
335V98.6Very high95.5Very high9 Ų955.7 Ų55.76%0.05532%0.315CS..EExtended strand (participates in β ladder)trans-122.6142.8178.2166.90000109.6A122 C125 L126 V138 I139 A140 L141A122-V335 HydrophobicContact CB-CG1 4.4Å; C125-V335 HydrophobicContact CB-CG1 3.84Å; L126-V335 HydrophobicContact CD2-CG2 3.59Å; L126-V335 HydrophobicContact CG-CG2 4.12Å; V138-V335 HydrophobicContact CB-CG2 4.08Å; V138-V335 HydrophobicContact CG1-CG2 4.27Å; V138-V335 HydrophobicContact CG2-CB 4.19Å; V138-V335 HydrophobicContact CG2-CG2 3.74Å; I139-V335 PolarHBondContact O-N 2.86Å; A140-V335 CarbonylContact C-O 3.51Å; A140-V335 VanDerWaalsContact CA-O 3.28Å; A140-V335 WeakPolarHBondContact CA-O 3.41Å; A140-V335 HydrophobicContact CB-CB 4.1Å; A140-V335 HydrophobicContact CB-CG1 4.25Å; L141-V335 PolarHBondContact N-O 3.46Å
336F98.4Very high93.6Very high80 Ų8055.9 Ų55.935%0.35132%0.317SS..EExtended strand (participates in β ladder)trans-129128.6178.2-58.3-92.7000108.5L141 M322 L334 I341L141-F336 HydrophobicContact CB-CD1 3.83Å; L141-F336 HydrophobicContact CB-CE1 4.11Å; L141-F336 HydrophobicContact CD2-CD1 3.88Å; L141-F336 HydrophobicContact CD2-CE1 3.93Å; L141-F336 HydrophobicContact CG-CD1 4.42Å; L141-F336 WeakPolarHBondContact O-CA 3.37Å; M322-F336 HydrophobicContact CE-CD1 4.48Å; M322-F336 HydrophobicContact CE-CE1 3.84Å; M322-F336 HydrophobicContact CE-CZ 3.85Å; M322-F336 HydrophobicContact SD-CD1 4.48Å; M322-F336 HydrophobicContact SD-CE1 3.56Å; M322-F336 VanDerWaalsContact SD-CE1 3.56Å; M322-F336 HydrophobicContact SD-CZ 3.87Å; L334-F336 HydrophobicContact CB-CE2 3.9Å; L334-F336 HydrophobicContact CB-CZ 4.19Å; L334-F336 HydrophobicContact CD1-CZ 4.42Å; F336-I341 HydrophobicContact CB-CD1 4.16Å; F336-I341 HydrophobicContact CB-CG1 4.35Å; F336-I341 HydrophobicContact CB-CG2 4.15Å; F336-I341 HydrophobicContact CD1-CD1 4.44Å
337S98.2Very high91Very high20 Ų2057.5 Ų57.514%0.1433%0.334CS..EExtended strand (participates in β ladder)trans-157-179.2178.4-167.70000110.9H121 L141 T142 L143 I341H121-S337 VanDerWaalsContact C-OG 3.29Å; H121-S337 WeakPolarHBondContact CB-OG 3.32Å; H121-S337 VanDerWaalsContact O-CB 3.27Å; H121-S337 WeakPolarHBondContact O-CB 3.42Å; H121-S337 PolarHBondContact O-OG 2.97Å; L141-S337 PolarHBondContact O-N 2.94Å; T142-S337 VanDerWaalsContact CA-O 3.3Å; T142-S337 WeakPolarHBondContact CA-O 3.41Å; L143-S337 PolarHBondContact N-O 3.34Å; S337-I341 WeakPolarHBondContact O-CG1 3.36Å
338G96.8Very high88.1Confident7 Ų758.4 Ų58.47%0.07236%0.364CS..SBendtrans93.9155.9-17400000112.4L143 V340 I341L143-G338 CarbonylContact O-C 3.57Å; L143-G338 VanDerWaalsContact O-CA 3.24Å; L143-G338 WeakPolarHBondContact O-CA 3.39Å; G338-V340 PolarHBondContact O-N 3.37Å; G338-V340 VanDerWaalsContact O-N 3.1Å; G338-I341 WeakPolarHBondContact O-CB 3.42Å; G338-I341 PolarHBondContact O-N 3.02Å
339G95.4Very high87.6Confident42 Ų4254.3 Ų54.343%0.43335%0.347SS..G310 helixtrans-61.9-23.2-168.400000115.5L143 H342L143-G339 PolarHBondContact O-N 3.49Å; L143-G339 VanDerWaalsContact O-N 3.16Å; G339-H342 PolarHBondContact O-ND1 3.02Å
340V97.3Very high87Confident19 Ų1952 Ų5212%0.11535%0.346CS..G310 helixtrans-75.9-24177.2174.50000111.5L143 C236 F240 G338 H342 N343 T346L143-V340 HydrophobicContact CB-CB 3.73Å; L143-V340 HydrophobicContact CB-CG1 4.09Å; L143-V340 HydrophobicContact CD1-CG1 4.46Å; L143-V340 WeakPolarHBondContact O-CB 3.34Å; L143-V340 PolarHBondContact O-N 3.33Å; C236-V340 HydrophobicContact CB-CG2 4.39Å; F240-V340 HydrophobicContact CD2-CG1 4.31Å; F240-V340 HydrophobicContact CE2-CG1 3.76Å; F240-V340 HydrophobicContact CZ-CG1 4.19Å; G338-V340 PolarHBondContact O-N 3.37Å; G338-V340 VanDerWaalsContact O-N 3.1Å; V340-H342 PolarHBondContact O-N 2.92Å; V340-H342 VanDerWaalsContact O-N 3.15Å; V340-N343 WeakPolarHBondContact O-CB 3.31Å; V340-N343 PolarHBondContact O-N 3.15Å; V340-T346 PolarHBondContact O-OG1 3Å
341I97Very high86.4Confident29 Ų2951.2 Ų51.215%0.14933%0.327CS..G310 helixtrans-65.9-16.4178.9-65.5-62.4000113L143 F336 S337 G338 N343L143-I341 HydrophobicContact CB-CD1 4.32Å; L143-I341 HydrophobicContact CB-CG1 4.35Å; L143-I341 HydrophobicContact CD1-CD1 3.79Å; L143-I341 HydrophobicContact CG-CD1 4.03Å; F336-I341 HydrophobicContact CB-CD1 4.16Å; F336-I341 HydrophobicContact CB-CG1 4.35Å; F336-I341 HydrophobicContact CB-CG2 4.15Å; F336-I341 HydrophobicContact CD1-CD1 4.44Å; S337-I341 WeakPolarHBondContact O-CG1 3.36Å; G338-I341 WeakPolarHBondContact O-CB 3.42Å; G338-I341 PolarHBondContact O-N 3.02Å; I341-N343 PolarHBondContact O-N 3.23Å; I341-N343 VanDerWaalsContact O-N 3.12Å
342H94.1Very high85.7Confident78 Ų7853.1 Ų53.136%0.36134%0.341SS..G310 helixtrans-60.3-17.2167.7-65.8138000113.3R7 E11 G339 V340 Q344R7-H342 VanDerWaalsContact CZ-O 3.24Å; R7-H342 PolarHBondContact NH1-O 3.43Å; R7-H342 PolarHBondContact NH2-O 3.48Å; E11-H342 IonicContact OE1-CD2 2.75Å; E11-H342 PolarHBondContact OE1-CD2 3.3Å; E11-H342 VanDerWaalsContact OE1-CD2 3.27Å; G339-H342 PolarHBondContact O-ND1 3.02Å; V340-H342 PolarHBondContact O-N 2.92Å; V340-H342 VanDerWaalsContact O-N 3.15Å; H342-Q344 PolarHBondContact O-N 2.94Å
343N88.9Confident84.9Confident7 Ų747.9 Ų47.94%0.03731%0.31CS..SBendtrans-70.2124.4175.3175.8-39.8000110.7F240 E265 H311 V340 I341 F345 T346 G347F240-N343 VanDerWaalsContact CE1-ND2 3.28Å; F240-N343 WeakPolarHBondContact CE1-ND2 3.46Å; E265-N343 WeakPolarHBondContact OE1-CA 3.4Å; H311-N343 PolarHBondContact CD2-ND2 3.48Å; H311-N343 PolarHBondContact NE2-ND2 3.12Å; V340-N343 WeakPolarHBondContact O-CB 3.31Å; V340-N343 PolarHBondContact O-N 3.15Å; I341-N343 PolarHBondContact O-N 3.23Å; I341-N343 VanDerWaalsContact O-N 3.12Å; N343-F345 PolarHBondContact O-N 3.08Å; N343-F345 WeakPolarHBondContact OD1-CB 3.49Å; N343-F345 PolarHBondContact OD1-N 2.98Å; N343-T346 WeakPolarHBondContact CB-OG1 3.44Å; N343-T346 PolarHBondContact O-N 3.12Å; N343-T346 PolarHBondContact O-OG1 3.34Å; N343-T346 PolarHBondContact OD1-N 3.21Å; N343-G347 PolarHBondContact O-N 3.41Å
344Q82Confident84Confident124 Ų12448 Ų4858%0.57931%0.312SS*.THydrogen-bonded Turntrans-67.2-20.9-171.9-63.8-172.7-1.100114.1R7 E265 H342R7-Q344 VanDerWaalsContact NH1-CG 3.32Å; E265-Q344 PolarHBondContact OE1-N 3.25Å; H342-Q344 PolarHBondContact O-N 2.94Å
345F73.6Confident82.9Confident58 Ų5846.4 Ų46.425%0.25431%0.307SS..THydrogen-bonded Turntrans-87.9-25.3177.2-68-81.4000113.2E265 A268 A269 H311 N343E265-F345 HydrophobicContact CG-CD2 4.13Å; E265-F345 HydrophobicContact CG-CE2 4.45Å; A268-F345 HydrophobicContact CB-CD2 4.47Å; A268-F345 HydrophobicContact CB-CE2 4.44Å; A269-F345 VanDerWaalsContact CA-CZ 3.47Å; A269-F345 HydrophobicContact CB-CE2 3.77Å; A269-F345 HydrophobicContact CB-CZ 3.96Å; H311-F345 HydrophobicContact CB-CB 3.85Å; N343-F345 PolarHBondContact O-N 3.08Å; N343-F345 WeakPolarHBondContact OD1-CB 3.49Å; N343-F345 PolarHBondContact OD1-N 2.98Å
346T58.8Low81.7Confident14 Ų1449.2 Ų49.29%0.08633%0.327CS..THydrogen-bonded Turntrans-94.8-22.5178.752.10000113.4F240 L314 V340 N343F240-T346 HydrophobicContact CZ-CG2 3.99Å; L314-T346 HydrophobicContact CD2-CG2 4.24Å; V340-T346 PolarHBondContact O-OG1 3Å; N343-T346 WeakPolarHBondContact CB-OG1 3.44Å; N343-T346 PolarHBondContact O-N 3.12Å; N343-T346 PolarHBondContact O-OG1 3.34Å; N343-T346 PolarHBondContact OD1-N 3.21Å
347G44Very low80.3Confident41 Ų4146.7 Ų46.742%0.42333%0.325SS..  trans-88.9-14.5-179.700000115.5N343N343-G347 PolarHBondContact O-N 3.41Å
348G37.6Very low78.7Confident121 Ų12149.1 Ų49.1100%1.24734%0.342SS*.  trans-93.30-178.600000113.4

Retrieved 348 of 348 residues in 252.7 ms (Link to these results)

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