A0A096NMU0_PAPAN Loading...

Insulin gene enhancer protein ISL-2

Transcriptional factor that defines subclasses of motoneurons that segregate into columns in the spinal cord and select distinct axon pathways.

AlphaFold DB (A0A0D9RQB4), UniProt , Accession A0A096NMU0, Species PAPAN (Papio anubis, Olive baboon), Gene ISL2, Length 359 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
1M39Very low36.3Very low243 Ų243166.4 Ų166.4100%1.19782%0.818SS**  0110.40-159.7169.8-80.900105.4
2V28Very low36Very low114 Ų114158.8 Ų158.869%0.69181%0.814SS**  trans-97.2137.3-161.1-173.80000107.9I4V2-I4 HydrophobicContact CG1-CD1 4.12Å; V2-I4 HydrophobicContact CG1-CG1 4.06Å
3D24.9Very low36.3Very low160 Ų160153.9 Ų153.986%0.85681%0.813SS**  trans-138.4113.5156.5-91.3-54.5000110.1
4I33.7Very low37.1Very low126 Ų126156.9 Ų156.965%0.64682%0.823SS**  trans-109.9127.2172.5-67.4168.9000105.4V2 F6V2-I4 HydrophobicContact CG1-CD1 4.12Å; V2-I4 HydrophobicContact CG1-CG1 4.06Å; I4-F6 HydrophobicContact CG2-CD2 3.89Å; I4-F6 HydrophobicContact CG2-CE2 4.02Å
5I36.5Very low37Very low143 Ų143151.1 Ų151.173%0.73382%0.817SS**  trans-117.7110169.3-58.2-179.7000109
6F35.5Very low37.6Very low190 Ų190150.8 Ų150.883%0.83382%0.815SS**  trans-75.5143.6162.4-87.4-94.3000109.9I4I4-F6 HydrophobicContact CG2-CD2 3.89Å; I4-F6 HydrophobicContact CG2-CE2 4.02Å
7H34.1Very low37.6Very low176 Ų176151.1 Ų151.182%0.81581%0.809SS**  trans-122115.1168.9-115.8-75.7000110.8
8Y33.2Very low38.1Very low223 Ų223149.5 Ų149.588%0.87581%0.812SS**  trans-98.9161.9149.4-114-102.1000108.4
9P56.1Low38Very low108 Ų108151.1 Ų151.170%0.70181%0.81SS**  trans-97.6133.3-166.834.1-23.6000112.2
10F34.3Very low38.3Very low194 Ų194154 Ų15485%0.85182%0.815SS**  trans-152.4146.5160.5-161.6-105.7000111.1
11L43.7Very low38.5Very low153 Ų153155.4 Ų155.480%0.80181%0.814SS**  trans-59.4152.3-164.3-71.198.7000115.8
12G33.5Very low39Very low75 Ų75149.9 Ų149.977%0.77380%0.796SS**  trans158.397.5153.900000117.2
13A39.3Very low40.5Very low96 Ų96148.1 Ų148.179%0.79380%0.801SS**  trans34.5131.6139.900000123.5
14M48.5Very low42.8Very low195 Ų195144.2 Ų144.296%0.96178%0.784SS**  trans59.9114.2142.9-59.9-70.3-166.400119.6
15G35.3Very low45.2Very low70 Ų70138.8 Ų138.872%0.72276%0.758SS**  trans162.9102.4163.700000112.5H17G15-H17 PolarHBondContact O-N 3.14Å; G15-H17 VanDerWaalsContact O-N 3.12Å
16D45.7Very low47.8Very low147 Ų147136.4 Ų136.479%0.78675%0.745SS**  trans-55.4109.1168.8-172.3-36.1000110.2
17H38.3Very low50.4Low155 Ų155127.5 Ų127.572%0.71871%0.706SS**  trans-147.9122.5153.4-75-63.2000106.9G15 K19G15-H17 PolarHBondContact O-N 3.14Å; G15-H17 VanDerWaalsContact O-N 3.12Å; H17-K19 HydrophobicContact CB-CG 4.3Å; H17-K19 PolarHBondContact O-N 2.69Å
18S46.1Very low53Low123 Ų123122.3 Ų122.386%0.8669%0.686SS**  trans-59.372.7166-73.50000111K20S18-K20 PolarHBondContact O-N 3.12Å
19K37.3Very low55.5Low179 Ų179113.8 Ų113.878%0.77867%0.666SS**  trans-77.697.6168.2-69-171179-176.80107H17 K21H17-K19 HydrophobicContact CB-CG 4.3Å; H17-K19 PolarHBondContact O-N 2.69Å; K19-K21 PolarHBondContact O-N 3.43Å
20K42.7Very low57.1Low210 Ų210111.5 Ų111.591%0.91365%0.652SS**  trans-56105.9160.9-69.5-176.4179.9179.50106.9S18S18-K20 PolarHBondContact O-N 3.12Å
21K42.6Very low59.7Low183 Ų183104.7 Ų104.780%0.79664%0.637SS**PPolyproline II helixtrans-53.8143.7167.5-68.7177.4177.31770107.9K19 G23K19-K21 PolarHBondContact O-N 3.43Å; K21-G23 PolarHBondContact O-N 3.38Å
22P49.3Very low61.9Low127 Ų127100.6 Ų100.683%0.82562%0.621SS**SBendtrans-53.8127.8173.422.1-29.9000108.7T24P22-T24 PolarHBondContact O-N 3.39Å
23G60.3Low64.7Low77 Ų77100.5 Ų100.579%0.79460%0.6SS**PPolyproline II helixtrans-56121.4-160.500000113.4K21 A25K21-G23 PolarHBondContact O-N 3.38Å; G23-A25 PolarHBondContact O-N 3.37Å
24T73.6Confident67.1Low79 Ų7996.5 Ų96.549%0.48557%0.565SS.*  trans-71.4106.7167.748.40000108.6P22 M26 Q33P22-T24 PolarHBondContact O-N 3.39Å; T24-M26 PolarHBondContact O-N 2.8Å; T24-Q33 VanDerWaalsContact CG2-CD 3.46Å
25A83.9Confident68.9Low12 Ų1294.3 Ų94.310%0.09955%0.553CS.*  trans-61.5127.3177.400000110G23 Q33 I34 I39 E47G23-A25 PolarHBondContact O-N 3.37Å; A25-Q33 WeakPolarHBondContact O-CA 3.48Å; A25-I34 HydrophobicContact CB-CB 4.14Å; A25-I34 HydrophobicContact CB-CD1 4.27Å; A25-I34 PolarHBondContact O-N 2.96Å; A25-I39 HydrophobicContact CB-CD1 3.78Å; A25-E47 WeakPolarHBondContact CA-OE2 3.11Å; A25-E47 WeakPolarHBondContact CB-OE2 3.09Å
26M89.9Confident71.3Confident93 Ų9394.4 Ų94.446%0.45854%0.536SS..BIsolated β-bridgetrans-111.6125.5-176-67.8-65.1-71.900109.5T24 V28 G31 Q33 E47T24-M26 PolarHBondContact O-N 2.8Å; M26-V28 PolarHBondContact O-N 3.32Å; M26-G31 WeakPolarHBondContact CE-O 3.19Å; M26-Q33 HydrophobicContact SD-CB 3.83Å; M26-Q33 HydrophobicContact SD-CG 4.34Å; M26-E47 PolarHBondContact N-OE2 2.82Å
27C90.1Very high73.1Confident2 Ų292.5 Ų92.51%0.01452%0.523CS..  trans-71.5123.3179.8-179.30000110.8G29 C30 G31 S32 I34 E47 H49 C52C27-G29 VanDerWaalsContact C-N 3.25Å; C27-G29 PolarHBondContact O-N 3.18Å; C27-G29 PolarHBondContact SG-N 2.93Å; C27-G29 VanDerWaalsContact SG-N 3.36Å; C27-C30 VanDerWaalsContact CB-SG 3.57Å; C27-G31 WeakPolarHBondContact O-CA 3.43Å; C27-G31 PolarHBondContact O-N 3.46Å; C27-S32 WeakPolarHBondContact CB-O 3.44Å; C27-S32 PolarHBondContact N-O 2.79Å; C27-I34 HydrophobicContact CB-CD1 3.98Å; C27-I34 HydrophobicContact CB-CG1 3.71Å; C27-E47 WeakPolarHBondContact CA-O 3.36Å; C27-H49 VanDerWaalsContact CB-CE1 3.45Å; C27-H49 WeakPolarHBondContact CB-CE1 3.35Å; C27-H49 VanDerWaalsContact CB-ND1 3.35Å; C27-H49 WeakPolarHBondContact CB-ND1 3.45Å; C27-H49 PolarHBondContact SG-ND1 3.47Å; C27-H49 VanDerWaalsContact SG-ND1 3.37Å; C27-C52 VanDerWaalsContact SG-CB 3.56Å
28V88.5Confident75.2Confident67 Ų6788.5 Ų88.541%0.40650%0.503SS..THydrogen-bonded Turntrans-65.4-30.3176.8179.60000111.9M26 L46 E47 W48M26-V28 PolarHBondContact O-N 3.32Å; V28-L46 HydrophobicContact CG2-CB 4.12Å; V28-L46 HydrophobicContact CG2-CD2 3.94Å; V28-E47 PolarHBondContact N-O 3.31Å; V28-W48 HydrophobicContact CB-CD2 4.19Å; V28-W48 HydrophobicContact CB-CH2 4.01Å; V28-W48 HydrophobicContact CB-CZ2 3.6Å; V28-W48 HydrophobicContact CB-CZ3 4.49Å; V28-W48 HydrophobicContact CG1-CH2 3.82Å; V28-W48 HydrophobicContact CG1-CZ2 3.5Å
29G86.8Confident77.1Confident44 Ų4484.5 Ų84.545%0.45447%0.472SS..THydrogen-bonded Turntrans-75.2-39.7-177.800000115.1C27 W48C27-G29 VanDerWaalsContact C-N 3.25Å; C27-G29 PolarHBondContact O-N 3.18Å; C27-G29 PolarHBondContact SG-N 2.93Å; C27-G29 VanDerWaalsContact SG-N 3.36Å; G29-W48 VanDerWaalsContact N-CZ3 3.31Å
30C89.7Confident79.4Confident61 Ų6176.7 Ų76.741%0.41244%0.439SS..THydrogen-bonded Turntrans-116.5-3.8-177.667.60000114.3C27 S32 H49C27-C30 VanDerWaalsContact CB-SG 3.57Å; C30-S32 PolarHBondContact O-N 3.21Å; C30-S32 VanDerWaalsContact O-N 3.14Å; C30-H49 PolarHBondContact SG-CE1 3.02Å; C30-H49 PolarHBondContact SG-ND1 3.1Å; C30-H49 VanDerWaalsContact SG-ND1 3.39Å
31G87.9Confident81.5Confident51 Ų5171.6 Ų71.653%0.52641%0.414SS..SBendtrans68.16.3-179.400000114.8M26 C27M26-G31 WeakPolarHBondContact CE-O 3.19Å; C27-G31 WeakPolarHBondContact O-CA 3.43Å; C27-G31 PolarHBondContact O-N 3.46Å
32S89.8Confident83.4Confident67 Ų6762.9 Ų62.947%0.46938%0.376SS..SBendtrans-100.4159.1-178-58.50000111.4C27 C30C27-S32 WeakPolarHBondContact CB-O 3.44Å; C27-S32 PolarHBondContact N-O 2.79Å; C30-S32 PolarHBondContact O-N 3.21Å; C30-S32 VanDerWaalsContact O-N 3.14Å
33Q92.1Very high84.7Confident73 Ų7360.3 Ų60.334%0.34136%0.361SS..BIsolated β-bridgetrans-68.2137.6177.5-173.7164.9-21.600111.8T24 A25 M26T24-Q33 VanDerWaalsContact CG2-CD 3.46Å; A25-Q33 WeakPolarHBondContact O-CA 3.48Å; M26-Q33 HydrophobicContact SD-CB 3.83Å; M26-Q33 HydrophobicContact SD-CG 4.34Å
34I89.7Confident85Confident11 Ų1161.6 Ų61.66%0.05636%0.355CS..  trans-85.1115.8179-54.4175.4000109.1A25 C27 D36 I39 E47 H49A25-I34 HydrophobicContact CB-CB 4.14Å; A25-I34 HydrophobicContact CB-CD1 4.27Å; A25-I34 PolarHBondContact O-N 2.96Å; C27-I34 HydrophobicContact CB-CD1 3.98Å; C27-I34 HydrophobicContact CB-CG1 3.71Å; I34-D36 HydrophobicContact CG2-CB 4.01Å; I34-I39 HydrophobicContact CB-CD1 4.37Å; I34-I39 HydrophobicContact CD1-CG2 3.86Å; I34-I39 HydrophobicContact CG2-CD1 3.9Å; I34-I39 HydrophobicContact CG2-CG1 3.74Å; I34-I39 HydrophobicContact CG2-CG2 4.45Å; I34-E47 HydrophobicContact CD1-CB 3.76Å; I34-H49 WeakPolarHBondContact CA-NE2 3.12Å
35H87.3Confident85.2Confident150 Ų15063.8 Ų63.869%0.69436%0.364SS*.  trans-1103.6172.7-66.8-72.9000112.5
36D85Confident85.3Confident71 Ų7165.7 Ų65.738%0.3837%0.372SS..  trans-62.4149.9-179.1-68.12.4000111.6I34 F38 H49I34-D36 HydrophobicContact CG2-CB 4.01Å; D36-F38 WeakPolarHBondContact CB-O 3.12Å; D36-F38 PolarHBondContact O-N 3.25Å; D36-H49 IonicContact OD1-CD2 3.27Å; D36-H49 IonicContact OD2-CD2 2.72Å; D36-H49 PolarHBondContact OD2-CD2 3.27Å; D36-H49 VanDerWaalsContact OD2-CD2 3.27Å; D36-H49 IonicContact OD2-CG 3.33Å
37Q83.9Confident85.3Confident108 Ų10862.8 Ų62.851%0.50536%0.357SS..SBendtrans-62.1-30.2174.1-175.2-1795.400112.4W301Q37-W301 HydrophobicContact CG-CZ2 4.4Å; Q37-W301 VanDerWaalsContact NE2-CH2 3.26Å; Q37-W301 VanDerWaalsContact NE2-CZ2 3.33Å
38F82.7Confident85.2Confident70 Ų7063 Ų6331%0.30736%0.358SS..SBendtrans-127.2132-179.4-53.9-75.3000109.5D36D36-F38 WeakPolarHBondContact CB-O 3.12Å; D36-F38 PolarHBondContact O-N 3.25Å
39I86.3Confident85.3Confident39 Ų3961 Ų6120%0.234%0.344CS..  trans-112.8129.3179.4-51.8-172.9000108A25 I34 E47A25-I39 HydrophobicContact CB-CD1 3.78Å; I34-I39 HydrophobicContact CB-CD1 4.37Å; I34-I39 HydrophobicContact CD1-CG2 3.86Å; I34-I39 HydrophobicContact CG2-CD1 3.9Å; I34-I39 HydrophobicContact CG2-CG1 3.74Å; I34-I39 HydrophobicContact CG2-CG2 4.45Å; I39-E47 HydrophobicContact CG2-CB 4.08Å; I39-E47 HydrophobicContact CG2-CG 4.34Å
40L86.1Confident85.3Confident15 Ų1561.4 Ų61.48%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-88.6123.5173.8-61.4-176.3000109.4W48 A50 L53 V294 T296L40-W48 HydrophobicContact CB-CB 4.47Å; L40-W48 PolarHBondContact N-O 3.33Å; L40-W48 VanDerWaalsContact N-O 3.1Å; L40-W48 PolarHBondContact O-N 2.94Å; L40-A50 HydrophobicContact CD1-CB 4.29Å; L40-L53 HydrophobicContact CB-CD2 4Å; L40-L53 HydrophobicContact CD1-CB 3.99Å; L40-L53 HydrophobicContact CD1-CD2 3.72Å; L40-L53 HydrophobicContact CD1-CG 4.47Å; L40-V294 HydrophobicContact CB-CG1 4.07Å; L40-V294 HydrophobicContact CD1-CG1 4.44Å; L40-V294 HydrophobicContact CD2-CG1 3.91Å; L40-V294 HydrophobicContact CG-CG1 4.37Å; L40-T296 HydrophobicContact CD2-CG2 3.41Å; L40-T296 VanDerWaalsContact CD2-CG2 3.41Å
41R86.1Confident85.2Confident104 Ų10461.5 Ų61.539%0.39235%0.349SS..EExtended strand (participates in β ladder)trans-109.7127.5178.7-77.6175.1159-1170.8110.7D45 L46 E47 Q295R41-D45 IonicContact NH1-OD1 3.1Å; R41-L46 CarbonylContact C-O 3.59Å; R41-L46 WeakPolarHBondContact CA-O 3.41Å; R41-E47 HydrophobicContact CG-CG 4.1Å; R41-E47 IonicContact CZ-OE1 3.66Å; R41-E47 VanDerWaalsContact CZ-OE1 3.22Å; R41-E47 IonicContact NE-OE1 2.9Å; R41-E47 PolarHBondContact NE-OE1 3.22Å; R41-E47 IonicContact NH2-OE1 3.52Å; R41-E47 PolarHBondContact NH2-OE1 2.89Å; R41-Q295 PolarHBondContact N-O 3.18Å; R41-Q295 PolarHBondContact O-N 3.4Å
42V82.1Confident85.2Confident0 Ų060.5 Ų60.50%033%0.333CS..EExtended strand (participates in β ladder)trans-115.8112.3177.91780000106.7D45 L46 L53 V70 V292 V294V42-D45 PolarHBondContact O-N 2.94Å; V42-L46 HydrophobicContact CB-CB 4.21Å; V42-L46 PolarHBondContact N-O 3.36Å; V42-L46 WeakPolarHBondContact O-CA 3.46Å; V42-L46 VanDerWaalsContact O-CB 3.32Å; V42-L46 WeakPolarHBondContact O-CB 3.34Å; V42-L46 PolarHBondContact O-N 3.24Å; V42-L53 HydrophobicContact CG2-CD1 3.99Å; V42-L53 HydrophobicContact CG2-CD2 3.94Å; V42-V70 HydrophobicContact CG1-CG2 3.67Å; V42-V292 HydrophobicContact CB-CG1 4.07Å; V42-V292 HydrophobicContact CG1-CB 3.78Å; V42-V292 HydrophobicContact CG1-CG1 3.34Å; V42-V292 HydrophobicContact CG1-CG2 4.23Å; V42-V294 HydrophobicContact CG2-CG2 4.34Å
43S76.2Confident85.2Confident73 Ų7357.3 Ų57.351%0.5131%0.311SS..THydrogen-bonded Turntrans-50142.7177.2-175.20000114.4V292S43-V292 WeakPolarHBondContact O-CG2 3.32Å
44P67Low85.1Confident103 Ų10358.4 Ų58.467%0.66931%0.314SS*.THydrogen-bonded Turncis-89.5105-8.733-26.7000109.4L46P44-L46 PolarHBondContact O-N 3.36Å
45D77.8Confident85.2Confident125 Ų12557.9 Ų57.967%0.66831%0.312SS*.THydrogen-bonded Turntrans6926.7170.1-49.4-47.2000118.4R41 V42R41-D45 IonicContact NH1-OD1 3.1Å; V42-D45 PolarHBondContact O-N 2.94Å
46L86.4Confident85.5Confident53 Ų5353.1 Ų53.128%0.27730%0.299SS..EExtended strand (participates in β ladder)trans-84.9123.7170.2-58.1175.3000110.8V28 R41 V42 P44 V70V28-L46 HydrophobicContact CG2-CB 4.12Å; V28-L46 HydrophobicContact CG2-CD2 3.94Å; R41-L46 CarbonylContact C-O 3.59Å; R41-L46 WeakPolarHBondContact CA-O 3.41Å; V42-L46 HydrophobicContact CB-CB 4.21Å; V42-L46 PolarHBondContact N-O 3.36Å; V42-L46 WeakPolarHBondContact O-CA 3.46Å; V42-L46 VanDerWaalsContact O-CB 3.32Å; V42-L46 WeakPolarHBondContact O-CB 3.34Å; V42-L46 PolarHBondContact O-N 3.24Å; P44-L46 PolarHBondContact O-N 3.36Å; L46-V70 HydrophobicContact CD1-CG1 4.13Å; L46-V70 HydrophobicContact CD1-CG2 4.3Å
47E89.3Confident85.9Confident31 Ų3154.2 Ų54.215%0.14530%0.302CS..EExtended strand (participates in β ladder)trans-105.8138.2-177.5-62178.3133.800111.7A25 M26 C27 V28 I34 I39 R41A25-E47 WeakPolarHBondContact CA-OE2 3.11Å; A25-E47 WeakPolarHBondContact CB-OE2 3.09Å; M26-E47 PolarHBondContact N-OE2 2.82Å; C27-E47 WeakPolarHBondContact CA-O 3.36Å; V28-E47 PolarHBondContact N-O 3.31Å; I34-E47 HydrophobicContact CD1-CB 3.76Å; I39-E47 HydrophobicContact CG2-CB 4.08Å; I39-E47 HydrophobicContact CG2-CG 4.34Å; R41-E47 HydrophobicContact CG-CG 4.1Å; R41-E47 IonicContact CZ-OE1 3.66Å; R41-E47 VanDerWaalsContact CZ-OE1 3.22Å; R41-E47 IonicContact NE-OE1 2.9Å; R41-E47 PolarHBondContact NE-OE1 3.22Å; R41-E47 IonicContact NH2-OE1 3.52Å; R41-E47 PolarHBondContact NH2-OE1 2.89Å
48W89.3Confident86.2Confident7 Ų751.3 Ų51.33%0.02729%0.293CS..EExtended strand (participates in β ladder)trans-139144-176.1-58.677.9000111.1V28 G29 L40 C52 L53 T75V28-W48 HydrophobicContact CB-CD2 4.19Å; V28-W48 HydrophobicContact CB-CH2 4.01Å; V28-W48 HydrophobicContact CB-CZ2 3.6Å; V28-W48 HydrophobicContact CB-CZ3 4.49Å; V28-W48 HydrophobicContact CG1-CH2 3.82Å; V28-W48 HydrophobicContact CG1-CZ2 3.5Å; G29-W48 VanDerWaalsContact N-CZ3 3.31Å; L40-W48 HydrophobicContact CB-CB 4.47Å; L40-W48 PolarHBondContact N-O 3.33Å; L40-W48 VanDerWaalsContact N-O 3.1Å; L40-W48 PolarHBondContact O-N 2.94Å; W48-C52 HydrophobicContact CE3-CB 4.23Å; W48-L53 HydrophobicContact CB-CB 3.92Å; W48-L53 HydrophobicContact CB-CD1 4.23Å; W48-L53 HydrophobicContact CB-CG 4.5Å; W48-L53 HydrophobicContact CD2-CD1 3.7Å; W48-L53 HydrophobicContact CE3-CD1 4.14Å; W48-L53 HydrophobicContact CG-CB 4.31Å; W48-L53 HydrophobicContact CG-CD1 3.71Å; W48-L53 HydrophobicContact CG-CG 4.48Å; W48-T75 HydrophobicContact CH2-CG2 3.87Å; W48-T75 HydrophobicContact CZ2-CG2 3.73Å; W48-T75 HydrophobicContact CZ3-CG2 4.44Å
49H89.5Confident86.6Confident24 Ų2451.5 Ų51.511%0.11130%0.302CS..  trans-62.1149.5158.5-58.7114.6000109.5C27 C30 I34 D36 A51 C52 L53C27-H49 VanDerWaalsContact CB-CE1 3.45Å; C27-H49 WeakPolarHBondContact CB-CE1 3.35Å; C27-H49 VanDerWaalsContact CB-ND1 3.35Å; C27-H49 WeakPolarHBondContact CB-ND1 3.45Å; C27-H49 PolarHBondContact SG-ND1 3.47Å; C27-H49 VanDerWaalsContact SG-ND1 3.37Å; C30-H49 PolarHBondContact SG-CE1 3.02Å; C30-H49 PolarHBondContact SG-ND1 3.1Å; C30-H49 VanDerWaalsContact SG-ND1 3.39Å; I34-H49 WeakPolarHBondContact CA-NE2 3.12Å; D36-H49 IonicContact OD1-CD2 3.27Å; D36-H49 IonicContact OD2-CD2 2.72Å; D36-H49 PolarHBondContact OD2-CD2 3.27Å; D36-H49 VanDerWaalsContact OD2-CD2 3.27Å; D36-H49 IonicContact OD2-CG 3.33Å; H49-A51 PolarHBondContact O-N 3.4Å; H49-C52 HydrophobicContact CB-CB 3.89Å; H49-C52 PolarHBondContact ND1-SG 2.89Å; H49-C52 VanDerWaalsContact ND1-SG 3.43Å; H49-C52 PolarHBondContact O-N 3.27Å; H49-L53 PolarHBondContact O-N 3.07Å; H49-L53 VanDerWaalsContact O-N 3.1Å
50A87.2Confident86.8Confident54 Ų5454.1 Ų54.145%0.44631%0.314SS..THydrogen-bonded Turntrans-56.2-38.6172.700000111.8L40 C52L40-A50 HydrophobicContact CD1-CB 4.29Å; A50-C52 VanDerWaalsContact C-N 3.32Å; A50-C52 PolarHBondContact O-N 3.1Å
51A87.1Confident86.9Confident63 Ų6360.1 Ų60.152%0.52134%0.336SS..THydrogen-bonded Turntrans-74.7-18.5177.100000114.1H49 Y61H49-A51 PolarHBondContact O-N 3.4Å; A51-Y61 WeakPolarHBondContact O-CE1 3.32Å
52C88.5Confident87Confident30 Ų3055.3 Ų55.320%0.20332%0.318CS..THydrogen-bonded Turntrans-92.7-24.6-178.6-690000112.7C27 W48 H49 A50 K54C27-C52 VanDerWaalsContact SG-CB 3.56Å; W48-C52 HydrophobicContact CE3-CB 4.23Å; H49-C52 HydrophobicContact CB-CB 3.89Å; H49-C52 PolarHBondContact ND1-SG 2.89Å; H49-C52 VanDerWaalsContact ND1-SG 3.43Å; H49-C52 PolarHBondContact O-N 3.27Å; A50-C52 VanDerWaalsContact C-N 3.32Å; A50-C52 PolarHBondContact O-N 3.1Å; C52-K54 PolarHBondContact O-N 2.92Å
53L89.4Confident86.7Confident0 Ų058.9 Ų58.90%034%0.338CS..  trans-80.984.3179.7-166.164.6000110.9L40 V42 W48 H49 L62 T75 V294L40-L53 HydrophobicContact CB-CD2 4Å; L40-L53 HydrophobicContact CD1-CB 3.99Å; L40-L53 HydrophobicContact CD1-CD2 3.72Å; L40-L53 HydrophobicContact CD1-CG 4.47Å; V42-L53 HydrophobicContact CG2-CD1 3.99Å; V42-L53 HydrophobicContact CG2-CD2 3.94Å; W48-L53 HydrophobicContact CB-CB 3.92Å; W48-L53 HydrophobicContact CB-CD1 4.23Å; W48-L53 HydrophobicContact CB-CG 4.5Å; W48-L53 HydrophobicContact CD2-CD1 3.7Å; W48-L53 HydrophobicContact CE3-CD1 4.14Å; W48-L53 HydrophobicContact CG-CB 4.31Å; W48-L53 HydrophobicContact CG-CD1 3.71Å; W48-L53 HydrophobicContact CG-CG 4.48Å; H49-L53 PolarHBondContact O-N 3.07Å; H49-L53 VanDerWaalsContact O-N 3.1Å; L53-L62 HydrophobicContact CD2-CB 4.41Å; L53-L62 WeakPolarHBondContact CD2-O 3.38Å; L53-L62 HydrophobicContact CG-CB 4.14Å; L53-L62 PolarHBondContact O-N 2.83Å; L53-T75 HydrophobicContact CD1-CG2 3.66Å; L53-V294 HydrophobicContact CD2-CG1 4.01Å; L53-V294 HydrophobicContact CD2-CG2 4.1Å
54K91.3Very high86.2Confident95 Ų9560.8 Ų60.841%0.41334%0.339SS..BIsolated β-bridgetrans-132.5155179.864.1-173.3177.1-174.80111.9C52 A56 Q60 Y61 T75C52-K54 PolarHBondContact O-N 2.92Å; K54-A56 PolarHBondContact O-N 2.83Å; K54-Q60 CarbonylContact C-O 3.52Å; K54-Q60 VanDerWaalsContact CA-O 3.28Å; K54-Q60 WeakPolarHBondContact CA-O 3.33Å; K54-Y61 HydrophobicContact CB-CD1 4.26Å; K54-T75 PolarHBondContact O-OG1 2.98Å
55C91.9Very high86.1Confident0 Ų061.8 Ų61.80%034%0.343CS..  trans-66.3128.1174.3-177.80000110.4E57 C58 S59 Q60 T75 C77C55-E57 PolarHBondContact O-N 3.13Å; C55-E57 VanDerWaalsContact O-N 3.13Å; C55-C58 VanDerWaalsContact CB-SG 3.52Å; C55-C58 VanDerWaalsContact SG-SG 3.61Å; C55-S59 WeakPolarHBondContact O-CA 3.28Å; C55-S59 PolarHBondContact O-N 2.7Å; C55-Q60 PolarHBondContact N-O 2.94Å; C55-T75 CarbonylContact C-O 3.52Å; C55-T75 VanDerWaalsContact CA-O 3.32Å; C55-T75 WeakPolarHBondContact CA-O 3.36Å; C55-C77 HydrophobicContact CB-CB 4.19Å; C55-C77 PolarHBondContact SG-N 2.83Å
56A92.3Very high85.6Confident51 Ų5157.4 Ų57.442%0.42132%0.322SS..THydrogen-bonded Turntrans-62.8-19.2179.100000114.1K54 K74 T75 Y76K54-A56 PolarHBondContact O-N 2.83Å; A56-K74 HydrophobicContact CB-CB 4.16Å; A56-K74 HydrophobicContact CB-CD 4.35Å; A56-K74 HydrophobicContact CB-CG 4.5Å; A56-T75 PolarHBondContact N-O 2.84Å; A56-Y76 HydrophobicContact CB-CD1 4.43Å; A56-Y76 HydrophobicContact CB-CE1 4.02Å
57E93.4Very high84.9Confident94 Ų9458 Ų5844%0.43933%0.328SS..THydrogen-bonded Turntrans-97-62.1-178.4-68.5-72.1131.600112.2C55 Y76 D80 R83 L84C55-E57 PolarHBondContact O-N 3.13Å; C55-E57 VanDerWaalsContact O-N 3.13Å; E57-Y76 HydrophobicContact CG-CD1 3.89Å; E57-Y76 HydrophobicContact CG-CE1 3.85Å; E57-D80 HydrophobicContact CB-CB 4Å; E57-D80 HydrophobicContact CG-CB 4.2Å; E57-R83 IonicContact OE2-NH2 3.63Å; E57-R83 PolarHBondContact OE2-NH2 3.2Å; E57-R83 VanDerWaalsContact OE2-NH2 3.1Å; E57-L84 HydrophobicContact CG-CD1 3.48Å; E57-L84 VanDerWaalsContact CG-CD1 3.48Å
58C91.6Very high84.6Confident47 Ų4756.6 Ų56.632%0.31832%0.321SS..THydrogen-bonded Turntrans-91.6-1.7-176.662.60000114.1C55 Q60 D80C55-C58 VanDerWaalsContact CB-SG 3.52Å; C55-C58 VanDerWaalsContact SG-SG 3.61Å; C58-Q60 PolarHBondContact O-N 3.4Å; C58-D80 WeakPolarHBondContact CB-OD2 3.37Å; C58-D80 PolarHBondContact SG-OD2 3.31Å
59S90.7Very high84.5Confident73 Ų7356.7 Ų56.751%0.5132%0.322SS..  trans57.810.4-177-600000115.7C55C55-S59 WeakPolarHBondContact O-CA 3.28Å; C55-S59 PolarHBondContact O-N 2.7Å
60Q89.3Confident84.4Confident95 Ų9557.7 Ų57.744%0.44433%0.33SS..  trans-65.8133.5175.1-174.1179.7-3.400110.4K54 C55 C58K54-Q60 CarbonylContact C-O 3.52Å; K54-Q60 VanDerWaalsContact CA-O 3.28Å; K54-Q60 WeakPolarHBondContact CA-O 3.33Å; C55-Q60 PolarHBondContact N-O 2.94Å; C58-Q60 PolarHBondContact O-N 3.4Å
61Y89.1Confident84.3Confident140 Ų14059.2 Ų59.255%0.54932%0.324SS..BIsolated β-bridgetrans-64.1136.8171.9-64.8-72.1000110.7A51 K54A51-Y61 WeakPolarHBondContact O-CE1 3.32Å; K54-Y61 HydrophobicContact CB-CD1 4.26Å
62L87.8Confident84.1Confident3 Ų363 Ų632%0.01634%0.335CS..  trans-106.8114.7-179.7-56.7161000107L53 C66 C68 C77L53-L62 HydrophobicContact CD2-CB 4.41Å; L53-L62 WeakPolarHBondContact CD2-O 3.38Å; L53-L62 HydrophobicContact CG-CB 4.14Å; L53-L62 PolarHBondContact O-N 2.83Å; L62-C66 HydrophobicContact CD2-CB 4.29Å; L62-C68 HydrophobicContact CB-CB 4.23Å; L62-C68 HydrophobicContact CD1-CB 3.76Å; L62-C68 HydrophobicContact CD2-CB 4.42Å; L62-C68 HydrophobicContact CG-CB 4.35Å; L62-C77 HydrophobicContact CD2-CB 3.7Å
63D76.3Confident83.6Confident76 Ų7664 Ų6441%0.40635%0.351SS..  trans-115.8-170.2-178.363.716.4000111.8T65 C66D63-T65 PolarHBondContact O-N 2.9Å; D63-T65 VanDerWaalsContact O-N 3.13Å; D63-T65 WeakPolarHBondContact OD1-CB 3.4Å; D63-T65 PolarHBondContact OD1-N 2.81Å; D63-T65 PolarHBondContact OD1-OG1 2.64Å; D63-C66 PolarHBondContact O-N 3.1Å; D63-C66 PolarHBondContact OD1-N 3.49Å
64E64.3Low83.5Confident113 Ų11369.7 Ų69.753%0.52838%0.376SS..THydrogen-bonded Turntrans-55.5-26.6178.5-108.9170.1-16900113.9C66 V294 T296E64-C66 VanDerWaalsContact C-N 3.31Å; E64-V294 WeakPolarHBondContact CG-O 3.4Å; E64-T296 HydrophobicContact CG-CG2 4.36Å; E64-T296 WeakPolarHBondContact OE1-CB 3.31Å; E64-T296 PolarHBondContact OE1-N 2.91Å; E64-T296 PolarHBondContact OE1-OG1 2.98Å
65T65Low83.5Confident123 Ų12365.5 Ų65.576%0.75536%0.358SS*.THydrogen-bonded Turntrans-82.1-14.7178.372.20000112.6D63D63-T65 PolarHBondContact O-N 2.9Å; D63-T65 VanDerWaalsContact O-N 3.13Å; D63-T65 WeakPolarHBondContact OD1-CB 3.4Å; D63-T65 PolarHBondContact OD1-N 2.81Å; D63-T65 PolarHBondContact OD1-OG1 2.64Å
66C67.3Low83.4Confident33 Ų3366.1 Ų66.122%0.22336%0.36CS..SBendtrans-110.7105.8-171.9-690000111.4L62 D63 E64 C68L62-C66 HydrophobicContact CD2-CB 4.29Å; D63-C66 PolarHBondContact O-N 3.1Å; D63-C66 PolarHBondContact OD1-N 3.49Å; E64-C66 VanDerWaalsContact C-N 3.31Å; C66-C68 PolarHBondContact O-N 3.25Å; C66-C68 VanDerWaalsContact O-N 3.12Å
67T72.4Confident83.3Confident67 Ų6764.2 Ų64.241%0.41134%0.344SS..  trans-58.4119.8164.856.30000109.4
68C83.6Confident82.9Confident0 Ų065.1 Ų65.10%035%0.346CS..EExtended strand (participates in β ladder)trans-104.7155.5177.868.80000111.3L62 C66 V292L62-C68 HydrophobicContact CB-CB 4.23Å; L62-C68 HydrophobicContact CD1-CB 3.76Å; L62-C68 HydrophobicContact CD2-CB 4.42Å; L62-C68 HydrophobicContact CG-CB 4.35Å; C66-C68 PolarHBondContact O-N 3.25Å; C66-C68 VanDerWaalsContact O-N 3.12Å; C68-V292 PolarHBondContact N-O 3.06Å; C68-V292 PolarHBondContact O-N 3.24Å
69F87.1Confident82.7Confident10 Ų1070.6 Ų70.64%0.04436%0.36CS..EExtended strand (participates in β ladder)trans-122.9127.7177.2-64.7-90.9000109.1T75 Y76 K78 Y81 V287 A291F69-T75 CarbonylContact O-C 3.55Å; F69-Y76 PolarHBondContact N-O 2.89Å; F69-Y76 PolarHBondContact O-N 3.44Å; F69-K78 HydrophobicContact CD2-CB 4.5Å; F69-K78 HydrophobicContact CE2-CB 3.85Å; F69-K78 HydrophobicContact CE2-CG 3.98Å; F69-Y81 HydrophobicContact CB-CD1 4.31Å; F69-Y81 HydrophobicContact CB-CD2 3.19Å; F69-Y81 HydrophobicContact CB-CE2 3.59Å; F69-Y81 HydrophobicContact CB-CG 3.56Å; F69-Y81 HydrophobicContact CD1-CD1 4.23Å; F69-Y81 HydrophobicContact CD1-CD2 4.46Å; F69-Y81 HydrophobicContact CD1-CE1 4.35Å; F69-Y81 HydrophobicContact CD1-CE2 4.47Å; F69-Y81 HydrophobicContact CD1-CG 4.3Å; F69-Y81 HydrophobicContact CD2-CD1 4.44Å; F69-Y81 HydrophobicContact CD2-CG 4.05Å; F69-Y81 HydrophobicContact CG-CD1 4.06Å; F69-Y81 AromaticContact CG-CD2 3.86Å; F69-Y81 HydrophobicContact CG-CD2 3.86Å; F69-Y81 HydrophobicContact CG-CE2 4.25Å; F69-Y81 AromaticContact CG-CG 3.71Å; F69-Y81 HydrophobicContact CG-CG 3.71Å; F69-V287 HydrophobicContact CD1-CG1 3.73Å; F69-V287 HydrophobicContact CE1-CB 4Å; F69-V287 HydrophobicContact CE1-CG1 3.57Å; F69-V287 HydrophobicContact CE1-CG2 4.12Å; F69-V287 HydrophobicContact CZ-CG2 4.38Å; F69-A291 HydrophobicContact CE1-CB 3.8Å; F69-A291 HydrophobicContact CZ-CB 3.93Å
70V87.1Confident82.6Confident45 Ų4567.5 Ų67.527%0.27334%0.338SS..EExtended strand (participates in β ladder)trans-102.8128.1177.7-173.50000109.3V42 L46 K74 T75V42-V70 HydrophobicContact CG1-CG2 3.67Å; L46-V70 HydrophobicContact CD1-CG1 4.13Å; L46-V70 HydrophobicContact CD1-CG2 4.3Å; V70-K74 WeakPolarHBondContact CA-O 3.32Å; V70-T75 HydrophobicContact CG2-CG2 3.91Å
71R84.8Confident82.6Confident86 Ų8663.3 Ų63.333%0.32532%0.318SS..EExtended strand (participates in β ladder)trans-146129.3174.9-163.9175.2-166.1141.63.5109.7G73 K74 Y76 Y81R71-G73 PolarHBondContact O-N 3.31Å; R71-K74 PolarHBondContact N-O 3.22Å; R71-K74 PolarHBondContact O-N 3.46Å; R71-Y76 HydrophobicContact CB-CE2 4.26Å; R71-Y81 HydrophobicContact CB-CE2 4.25Å; R71-Y81 PolarHBondContact NH1-OH 2.93Å
72D83.3Confident82.5Confident142 Ų14257.9 Ų57.976%0.75930%0.299SS*.THydrogen-bonded Turntrans52.738.8-179.6-50.2-43.2000113.4K74D72-K74 PolarHBondContact O-N 3Å
73G78.6Confident82.4Confident52 Ų5263.7 Ų63.754%0.53632%0.321SS..THydrogen-bonded Turntrans74.11.4-17800000115.2R71R71-G73 PolarHBondContact O-N 3.31Å
74K87Confident82.9Confident119 Ų11962.6 Ų62.652%0.51732%0.315SS..EExtended strand (participates in β ladder)trans-104.5141.4176.5-65.1177.9-179.3-178.10111.3A56 V70 R71 D72 Y76A56-K74 HydrophobicContact CB-CB 4.16Å; A56-K74 HydrophobicContact CB-CD 4.35Å; A56-K74 HydrophobicContact CB-CG 4.5Å; V70-K74 WeakPolarHBondContact CA-O 3.32Å; R71-K74 PolarHBondContact N-O 3.22Å; R71-K74 PolarHBondContact O-N 3.46Å; D72-K74 PolarHBondContact O-N 3Å; K74-Y76 HydrophobicContact CB-CD2 4.48Å; K74-Y76 HydrophobicContact CB-CE2 3.6Å; K74-Y76 WeakPolarHBondContact CD-OH 3.49Å
75T89.8Confident84Confident7 Ų760.6 Ų60.64%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-97.3134.6177.441.70000110.5W48 L53 K54 C55 A56 F69 V70W48-T75 HydrophobicContact CH2-CG2 3.87Å; W48-T75 HydrophobicContact CZ2-CG2 3.73Å; W48-T75 HydrophobicContact CZ3-CG2 4.44Å; L53-T75 HydrophobicContact CD1-CG2 3.66Å; K54-T75 PolarHBondContact O-OG1 2.98Å; C55-T75 CarbonylContact C-O 3.52Å; C55-T75 VanDerWaalsContact CA-O 3.32Å; C55-T75 WeakPolarHBondContact CA-O 3.36Å; A56-T75 PolarHBondContact N-O 2.84Å; F69-T75 CarbonylContact O-C 3.55Å; V70-T75 HydrophobicContact CG2-CG2 3.91Å
76Y89.9Confident85.1Confident13 Ų1355.8 Ų55.85%0.05128%0.28CS..EExtended strand (participates in β ladder)trans-128.7142.9179.6-58.6-90.7000110.7A56 E57 F69 R71 K74 Y81 L84 F85A56-Y76 HydrophobicContact CB-CD1 4.43Å; A56-Y76 HydrophobicContact CB-CE1 4.02Å; E57-Y76 HydrophobicContact CG-CD1 3.89Å; E57-Y76 HydrophobicContact CG-CE1 3.85Å; F69-Y76 PolarHBondContact N-O 2.89Å; F69-Y76 PolarHBondContact O-N 3.44Å; R71-Y76 HydrophobicContact CB-CE2 4.26Å; K74-Y76 HydrophobicContact CB-CD2 4.48Å; K74-Y76 HydrophobicContact CB-CE2 3.6Å; K74-Y76 WeakPolarHBondContact CD-OH 3.49Å; Y76-Y81 HydrophobicContact CD2-CD2 4.28Å; Y76-Y81 HydrophobicContact CG-CD2 4.46Å; Y76-L84 HydrophobicContact CD1-CD1 4.14Å; Y76-L84 HydrophobicContact CE1-CD1 3.87Å; Y76-F85 HydrophobicContact CD1-CE2 4.08Å; Y76-F85 AromaticContact CD2-CE2 3.93Å; Y76-F85 HydrophobicContact CD2-CE2 3.93Å; Y76-F85 AromaticContact CE1-CE2 3.85Å; Y76-F85 HydrophobicContact CE1-CE2 3.85Å; Y76-F85 HydrophobicContact CE1-CZ 4.14Å; Y76-F85 AromaticContact CE2-CE2 3.68Å; Y76-F85 HydrophobicContact CE2-CE2 3.68Å; Y76-F85 HydrophobicContact CE2-CZ 4.05Å; Y76-F85 HydrophobicContact CG-CE2 4.12Å; Y76-F85 AromaticContact CZ-CE2 3.64Å; Y76-F85 AromaticContact CZ-CZ 3.73Å
77C89.9Confident86.1Confident11 Ų1157.9 Ų57.97%0.07429%0.288CS..EExtended strand (participates in β ladder)trans-68.5156.9167.176.30000109.8C55 L62 R79 D80 Y81C55-C77 HydrophobicContact CB-CB 4.19Å; C55-C77 PolarHBondContact SG-N 2.83Å; L62-C77 HydrophobicContact CD2-CB 3.7Å; C77-R79 PolarHBondContact O-N 3.48Å; C77-R79 VanDerWaalsContact O-N 3.16Å; C77-D80 PolarHBondContact O-N 2.87Å; C77-D80 PolarHBondContact SG-N 3.16Å; C77-D80 PolarHBondContact SG-OD2 2.98Å; C77-Y81 VanDerWaalsContact O-CB 3.29Å; C77-Y81 WeakPolarHBondContact O-CB 3.4Å; C77-Y81 PolarHBondContact O-N 3.41Å
78K86.1Confident87Confident113 Ų11358.9 Ų58.949%0.49129%0.287SS..Hα-helixtrans-49.9-42.5177.6-176.4176.5178.6179.60113F69 V82F69-K78 HydrophobicContact CD2-CB 4.5Å; F69-K78 HydrophobicContact CE2-CB 3.85Å; F69-K78 HydrophobicContact CE2-CG 3.98Å; K78-V82 WeakPolarHBondContact O-CB 3.48Å; K78-V82 WeakPolarHBondContact O-CG2 3.36Å; K78-V82 PolarHBondContact O-N 3.13Å
79R87.1Confident87.5Confident161 Ų16158.9 Ų58.961%0.60829%0.287SS*.Hα-helixtrans-62.1-54.5-179.3-179.8-176.865.6-168.9-5.4111.9C77 V82 R83C77-R79 PolarHBondContact O-N 3.48Å; C77-R79 VanDerWaalsContact O-N 3.16Å; R79-V82 PolarHBondContact O-N 3.33Å; R79-R83 WeakPolarHBondContact O-CB 3.39Å; R79-R83 PolarHBondContact O-N 3.39Å
80D89.1Confident87.8Confident9 Ų959.1 Ų59.15%0.04829%0.29CS..Hα-helixtrans-71.6-34.4-177.1-73.1-46.9000112.2E57 C58 C77 R83 L84E57-D80 HydrophobicContact CB-CB 4Å; E57-D80 HydrophobicContact CG-CB 4.2Å; C58-D80 WeakPolarHBondContact CB-OD2 3.37Å; C58-D80 PolarHBondContact SG-OD2 3.31Å; C77-D80 PolarHBondContact O-N 2.87Å; C77-D80 PolarHBondContact SG-N 3.16Å; C77-D80 PolarHBondContact SG-OD2 2.98Å; D80-R83 PolarHBondContact O-N 3.46Å; D80-R83 IonicContact OD1-CZ 3.79Å; D80-R83 IonicContact OD1-NE 2.92Å; D80-R83 PolarHBondContact OD1-NE 3.25Å; D80-R83 IonicContact OD1-NH2 3.44Å; D80-R83 PolarHBondContact OD1-NH2 2.65Å; D80-L84 WeakPolarHBondContact O-CB 3.28Å; D80-L84 WeakPolarHBondContact O-CG 3.47Å; D80-L84 PolarHBondContact O-N 3.45Å
81Y89.1Confident88Confident6 Ų662 Ų622%0.02430%0.299CS..Hα-helixtrans-60.4-49.2174.1-172.9-81.8000111.3F69 R71 Y76 C77 R83 L84 F85 G86 V287 Q288F69-Y81 HydrophobicContact CB-CD1 4.31Å; F69-Y81 HydrophobicContact CB-CD2 3.19Å; F69-Y81 HydrophobicContact CB-CE2 3.59Å; F69-Y81 HydrophobicContact CB-CG 3.56Å; F69-Y81 HydrophobicContact CD1-CD1 4.23Å; F69-Y81 HydrophobicContact CD1-CD2 4.46Å; F69-Y81 HydrophobicContact CD1-CE1 4.35Å; F69-Y81 HydrophobicContact CD1-CE2 4.47Å; F69-Y81 HydrophobicContact CD1-CG 4.3Å; F69-Y81 HydrophobicContact CD2-CD1 4.44Å; F69-Y81 HydrophobicContact CD2-CG 4.05Å; F69-Y81 HydrophobicContact CG-CD1 4.06Å; F69-Y81 AromaticContact CG-CD2 3.86Å; F69-Y81 HydrophobicContact CG-CD2 3.86Å; F69-Y81 HydrophobicContact CG-CE2 4.25Å; F69-Y81 AromaticContact CG-CG 3.71Å; F69-Y81 HydrophobicContact CG-CG 3.71Å; R71-Y81 HydrophobicContact CB-CE2 4.25Å; R71-Y81 PolarHBondContact NH1-OH 2.93Å; Y76-Y81 HydrophobicContact CD2-CD2 4.28Å; Y76-Y81 HydrophobicContact CG-CD2 4.46Å; C77-Y81 VanDerWaalsContact O-CB 3.29Å; C77-Y81 WeakPolarHBondContact O-CB 3.4Å; C77-Y81 PolarHBondContact O-N 3.41Å; Y81-R83 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 3.02Å; Y81-L84 PolarHBondContact O-N 2.97Å; Y81-F85 AromaticContact CD2-CD2 3.68Å; Y81-F85 HydrophobicContact CD2-CD2 3.68Å; Y81-F85 HydrophobicContact CD2-CE2 4.29Å; Y81-F85 HydrophobicContact CE1-CB 4.15Å; Y81-F85 AromaticContact CE2-CD2 3.88Å; Y81-F85 HydrophobicContact CE2-CD2 3.88Å; Y81-F85 HydrophobicContact CG-CD2 4.13Å; Y81-F85 WeakPolarHBondContact O-CA 3.33Å; Y81-F85 WeakPolarHBondContact O-CB 3.48Å; Y81-F85 PolarHBondContact O-N 3.35Å; Y81-G86 PolarHBondContact O-N 2.98Å; Y81-V287 HydrophobicContact CD1-CG1 3.94Å; Y81-V287 HydrophobicContact CE1-CB 4.37Å; Y81-V287 HydrophobicContact CE1-CG1 3.17Å; Y81-V287 HydrophobicContact CE1-CG2 4.39Å; Y81-Q288 PolarHBondContact OH-O 2.97Å; Y81-Q288 VanDerWaalsContact OH-O 3.13Å
82V86.4Confident88.4Confident26 Ų2660.4 Ų60.416%0.15830%0.301CS..Hα-helixtrans-64.7-39.4178.31730000110.9K78 R79 G86K78-V82 WeakPolarHBondContact O-CB 3.48Å; K78-V82 WeakPolarHBondContact O-CG2 3.36Å; K78-V82 PolarHBondContact O-N 3.13Å; R79-V82 PolarHBondContact O-N 3.33Å; V82-G86 WeakPolarHBondContact O-CA 3.29Å; V82-G86 PolarHBondContact O-N 3.2Å
83R85.8Confident88.8Confident125 Ų12559.4 Ų59.447%0.47229%0.291SS..Hα-helixtrans-63-44.1177.8-177.9-179.262.278.1-1.1112.7E57 R79 D80 Y81 K88E57-R83 IonicContact OE2-NH2 3.63Å; E57-R83 PolarHBondContact OE2-NH2 3.2Å; E57-R83 VanDerWaalsContact OE2-NH2 3.1Å; R79-R83 WeakPolarHBondContact O-CB 3.39Å; R79-R83 PolarHBondContact O-N 3.39Å; D80-R83 PolarHBondContact O-N 3.46Å; D80-R83 IonicContact OD1-CZ 3.79Å; D80-R83 IonicContact OD1-NE 2.92Å; D80-R83 PolarHBondContact OD1-NE 3.25Å; D80-R83 IonicContact OD1-NH2 3.44Å; D80-R83 PolarHBondContact OD1-NH2 2.65Å; Y81-R83 VanDerWaalsContact C-N 3.34Å; Y81-R83 PolarHBondContact O-N 3.02Å; R83-K88 WeakPolarHBondContact O-CE 3.48Å
84L86.3Confident89.4Confident53 Ų5361.1 Ų61.128%0.27729%0.291SS..Hα-helixtrans-82.9-46.4-175.6-70.3178.8000112.8E57 Y76 D80 Y81E57-L84 HydrophobicContact CG-CD1 3.48Å; E57-L84 VanDerWaalsContact CG-CD1 3.48Å; Y76-L84 HydrophobicContact CD1-CD1 4.14Å; Y76-L84 HydrophobicContact CE1-CD1 3.87Å; D80-L84 WeakPolarHBondContact O-CB 3.28Å; D80-L84 WeakPolarHBondContact O-CG 3.47Å; D80-L84 PolarHBondContact O-N 3.45Å; Y81-L84 PolarHBondContact O-N 2.97Å
85F87.9Confident89.5Confident71 Ų7157 Ų5731%0.31128%0.282SS..Hα-helixtrans-118.8-3.5-167.4-48-67.5000113.9Y76 Y81Y76-F85 HydrophobicContact CD1-CE2 4.08Å; Y76-F85 AromaticContact CD2-CE2 3.93Å; Y76-F85 HydrophobicContact CD2-CE2 3.93Å; Y76-F85 AromaticContact CE1-CE2 3.85Å; Y76-F85 HydrophobicContact CE1-CE2 3.85Å; Y76-F85 HydrophobicContact CE1-CZ 4.14Å; Y76-F85 AromaticContact CE2-CE2 3.68Å; Y76-F85 HydrophobicContact CE2-CE2 3.68Å; Y76-F85 HydrophobicContact CE2-CZ 4.05Å; Y76-F85 HydrophobicContact CG-CE2 4.12Å; Y76-F85 AromaticContact CZ-CE2 3.64Å; Y76-F85 AromaticContact CZ-CZ 3.73Å; Y81-F85 AromaticContact CD2-CD2 3.68Å; Y81-F85 HydrophobicContact CD2-CD2 3.68Å; Y81-F85 HydrophobicContact CD2-CE2 4.29Å; Y81-F85 HydrophobicContact CE1-CB 4.15Å; Y81-F85 AromaticContact CE2-CD2 3.88Å; Y81-F85 HydrophobicContact CE2-CD2 3.88Å; Y81-F85 HydrophobicContact CG-CD2 4.13Å; Y81-F85 WeakPolarHBondContact O-CA 3.33Å; Y81-F85 WeakPolarHBondContact O-CB 3.48Å; Y81-F85 PolarHBondContact O-N 3.35Å
86G87.5Confident89.4Confident22 Ų2257.1 Ų57.123%0.22728%0.282CS..SBendtrans-68.3160.1175.900000112.3Y81 V82 K88Y81-G86 PolarHBondContact O-N 2.98Å; V82-G86 WeakPolarHBondContact O-CA 3.29Å; V82-G86 PolarHBondContact O-N 3.2Å; G86-K88 PolarHBondContact O-N 2.8Å
87I89.3Confident89.2Confident78 Ų7858.6 Ų58.640%0.430%0.295SS..  trans-63.2131.1174.3-58.6169.7000108.3F96 V109I87-F96 HydrophobicContact CG2-CE2 4.23Å; I87-F96 WeakPolarHBondContact O-CD2 3.37Å; I87-V109 HydrophobicContact CG2-CB 4.01Å; I87-V109 HydrophobicContact CG2-CG2 3.78Å
88K92.3Very high88.8Confident88 Ų8862.6 Ų62.638%0.38332%0.323SS..BIsolated β-bridgetrans-110.3152.6180-65.8174.7-176.1178.60110.5R83 G86 A90R83-K88 WeakPolarHBondContact O-CE 3.48Å; G86-K88 PolarHBondContact O-N 2.8Å; K88-A90 PolarHBondContact O-N 3.22Å
89C93.3Very high88.7Confident0 Ų061.3 Ų61.30%033%0.328CS..  trans-63.8124.8174.1175.50000110.4K91 C92 Q93 V94 F96 V109 H111C89-K91 PolarHBondContact O-N 3.4Å; C89-K91 VanDerWaalsContact O-N 3.09Å; C89-C92 VanDerWaalsContact CB-SG 3.52Å; C89-C92 VanDerWaalsContact SG-SG 3.66Å; C89-Q93 WeakPolarHBondContact O-CA 3.47Å; C89-Q93 PolarHBondContact O-N 3.13Å; C89-V94 WeakPolarHBondContact CB-O 3.32Å; C89-V94 PolarHBondContact N-O 3.24Å; C89-F96 HydrophobicContact CB-CE1 4.18Å; C89-F96 HydrophobicContact CB-CE2 4.42Å; C89-F96 HydrophobicContact CB-CZ 3.69Å; C89-V109 VanDerWaalsContact CA-O 3.31Å; C89-V109 WeakPolarHBondContact CA-O 3.44Å; C89-H111 WeakPolarHBondContact CB-ND1 3.47Å
90A92.8Very high88.8Confident15 Ų1556 Ų5612%0.12431%0.311CS..THydrogen-bonded Turntrans-62-21.3-178.500000113.8K88 Q93 V109 Y110K88-A90 PolarHBondContact O-N 3.22Å; A90-Q93 PolarHBondContact O-NE2 3.01Å; A90-V109 PolarHBondContact N-O 3.12Å; A90-Y110 HydrophobicContact CB-CD1 4.25Å; A90-Y110 HydrophobicContact CB-CE1 3.63Å; A90-Y110 HydrophobicContact CB-CE2 4.35Å
91K91.9Very high88.9Confident105 Ų10559.3 Ų59.346%0.45733%0.329SS..THydrogen-bonded Turntrans-88.9-56.8176.8-171.5178.1-178.2-172.20113.5C89 Y110 C114C89-K91 PolarHBondContact O-N 3.4Å; C89-K91 VanDerWaalsContact O-N 3.09Å; K91-Y110 HydrophobicContact CB-CD1 4.03Å; K91-Y110 HydrophobicContact CB-CE1 4.27Å; K91-C114 HydrophobicContact CB-CB 4.03Å; K91-C114 HydrophobicContact CD-CB 3.95Å; K91-C114 WeakPolarHBondContact CD-O 3.19Å; K91-C114 HydrophobicContact CG-CB 4.49Å
92C92.7Very high89.2Confident53 Ų5359 Ų5936%0.35833%0.328SS..THydrogen-bonded Turntrans-97.9-6-173.768.40000114.4C89 V94 H111C89-C92 VanDerWaalsContact CB-SG 3.52Å; C89-C92 VanDerWaalsContact SG-SG 3.66Å; C92-V94 HydrophobicContact CB-CG2 4.46Å; C92-V94 PolarHBondContact O-N 3.35Å; C92-H111 PolarHBondContact SG-CE1 3.41Å; C92-H111 PolarHBondContact SG-ND1 3.13Å
93Q91.3Very high89.6Confident120 Ų12058.1 Ų58.156%0.56132%0.322SS*.  trans60.811.5-179.4-57-62.3-27.900115.3C89 A90C89-Q93 WeakPolarHBondContact O-CA 3.47Å; C89-Q93 PolarHBondContact O-N 3.13Å; A90-Q93 PolarHBondContact O-NE2 3.01Å
94V91.1Very high89.9Confident88 Ų8858.3 Ų58.353%0.53332%0.323SS..PPolyproline II helixtrans-87.1142.2173.4-175.10000109.9C89 C92C89-V94 WeakPolarHBondContact CB-O 3.32Å; C89-V94 PolarHBondContact N-O 3.24Å; C92-V94 HydrophobicContact CB-CG2 4.46Å; C92-V94 PolarHBondContact O-N 3.35Å
95G89.1Confident90.2Very high32 Ų3255.9 Ų55.933%0.3331%0.311SS..BIsolated β-bridgetrans-75.1163.917600000113
96F89.1Confident90.2Very high10 Ų1059.1 Ų59.14%0.04432%0.321CS..PPolyproline II helixtrans-95.6147.1-176.9-57.7-78.9000112.4I87 C89 D100 V102 V109 H111 H283I87-F96 HydrophobicContact CG2-CE2 4.23Å; I87-F96 WeakPolarHBondContact O-CD2 3.37Å; C89-F96 HydrophobicContact CB-CE1 4.18Å; C89-F96 HydrophobicContact CB-CE2 4.42Å; C89-F96 HydrophobicContact CB-CZ 3.69Å; F96-D100 HydrophobicContact CB-CB 4.44Å; F96-V102 HydrophobicContact CD1-CG1 3.28Å; F96-V102 HydrophobicContact CD2-CG1 4.48Å; F96-V102 HydrophobicContact CE1-CB 4.31Å; F96-V102 HydrophobicContact CE1-CG1 3.39Å; F96-V102 HydrophobicContact CG-CG1 3.87Å; F96-V102 HydrophobicContact CZ-CG1 4.09Å; F96-V109 HydrophobicContact CD2-CG1 4.45Å; F96-V109 HydrophobicContact CE1-CG1 4.29Å; F96-V109 HydrophobicContact CE2-CB 3.98Å; F96-V109 HydrophobicContact CE2-CG1 3.64Å; F96-V109 HydrophobicContact CZ-CB 4.05Å; F96-V109 HydrophobicContact CZ-CG1 3.53Å; F96-H111 AromaticContact CD1-CD2 3.46Å; F96-H111 VanDerWaalsContact CD1-CD2 3.46Å; F96-H111 WeakPolarHBondContact CD1-CD2 3.49Å; F96-H111 AromaticContact CD1-NE2 3.33Å; F96-H111 VanDerWaalsContact CD1-NE2 3.33Å; F96-H111 WeakPolarHBondContact CD1-NE2 3.44Å; F96-H111 AromaticContact CE1-CD2 3.36Å; F96-H111 WeakPolarHBondContact CE1-CD2 3.14Å; F96-H111 AromaticContact CE1-CE1 3.85Å; F96-H111 AromaticContact CE1-CG 3.77Å; F96-H111 AromaticContact CE1-NE2 3.4Å; F96-H111 WeakPolarHBondContact CE1-NE2 3.41Å; F96-H283 HydrophobicContact CB-CB 4.44Å
97S85.5Confident90.2Very high45 Ų4565.9 Ų65.932%0.31535%0.352SS..PPolyproline II helixtrans-78.3159.8168950000111.2S99 D100S97-S99 PolarHBondContact O-N 2.8Å; S97-S99 PolarHBondContact OG-N 2.84Å; S97-S99 PolarHBondContact OG-OG 2.9Å; S97-D100 PolarHBondContact N-OD2 3.47Å; S97-D100 PolarHBondContact O-N 3.05Å; S97-D100 PolarHBondContact OG-N 2.64Å; S97-D100 PolarHBondContact OG-OD1 3.09Å; S97-D100 PolarHBondContact OG-OD2 2.89Å
98S81.1Confident90.3Very high95 Ų9563.1 Ų63.166%0.66434%0.339SS*.THydrogen-bonded Turntrans-64.8-19.9176.449.90000113.8
99S83.6Confident90.4Very high85 Ų8559.3 Ų59.359%0.59432%0.324SS*.THydrogen-bonded Turntrans-92.5-8.1177.6400000113.6S97S97-S99 PolarHBondContact O-N 2.8Å; S97-S99 PolarHBondContact OG-N 2.84Å; S97-S99 PolarHBondContact OG-OG 2.9Å
100D89.4Confident90.4Very high49 Ų4959.4 Ų59.426%0.26232%0.324SS..  trans-72.2139.6-171.1-69.9-8.3000112.5F96 S97 H283F96-D100 HydrophobicContact CB-CB 4.44Å; S97-D100 PolarHBondContact N-OD2 3.47Å; S97-D100 PolarHBondContact O-N 3.05Å; S97-D100 PolarHBondContact OG-N 2.64Å; S97-D100 PolarHBondContact OG-OD1 3.09Å; S97-D100 PolarHBondContact OG-OD2 2.89Å; D100-H283 PolarHBondContact O-N 3.17Å
101L92.1Very high90.5Very high79 Ų7960.4 Ų60.441%0.41433%0.326SS..EExtended strand (participates in β ladder)trans-91.7135.2163.6-65.5177.7000108.8I112 P280 I281 R282L101-I112 HydrophobicContact CB-CD1 3.58Å; L101-P280 HydrophobicContact CB-CB 3.97Å; L101-I281 WeakPolarHBondContact CA-O 3.14Å; L101-R282 HydrophobicContact CD2-CB 4.39Å; L101-R282 HydrophobicContact CD2-CG 3.64Å
102V94.7Very high90.6Very high0 Ų058.1 Ų58.10%032%0.318CS..EExtended strand (participates in β ladder)trans-127149.6-174.1-61.10000111.7F96 V109 Y110 P280 I281 H283F96-V102 HydrophobicContact CD1-CG1 3.28Å; F96-V102 HydrophobicContact CD2-CG1 4.48Å; F96-V102 HydrophobicContact CE1-CB 4.31Å; F96-V102 HydrophobicContact CE1-CG1 3.39Å; F96-V102 HydrophobicContact CG-CG1 3.87Å; F96-V102 HydrophobicContact CZ-CG1 4.09Å; V102-V109 HydrophobicContact CB-CG1 3.6Å; V102-V109 HydrophobicContact CG1-CG1 4.05Å; V102-V109 HydrophobicContact CG2-CG1 3.66Å; V102-Y110 WeakPolarHBondContact CA-O 3.34Å; V102-P280 WeakPolarHBondContact O-CA 3.35Å; V102-I281 HydrophobicContact CG2-CG1 4.12Å; V102-I281 PolarHBondContact N-O 3.31Å; V102-I281 PolarHBondContact O-N 3.27Å; V102-H283 HydrophobicContact CG1-CB 3.83Å; V102-H283 HydrophobicContact CG2-CB 3.96Å
103M94.9Very high90.7Very high7 Ų762.5 Ų62.53%0.03433%0.333CS..EExtended strand (participates in β ladder)trans-94.5134171-64-64.6-76.800108.7Y110 I112 F115 A277 G278 P280M103-Y110 PolarHBondContact N-O 3.08Å; M103-Y110 PolarHBondContact O-N 3.42Å; M103-I112 HydrophobicContact CG-CG1 4.19Å; M103-F115 HydrophobicContact CB-CB 3.89Å; M103-F115 HydrophobicContact CB-CD1 4.09Å; M103-F115 HydrophobicContact CB-CD2 3.61Å; M103-F115 HydrophobicContact CB-CE2 4.14Å; M103-F115 HydrophobicContact CB-CG 3.58Å; M103-F115 HydrophobicContact CE-CD1 3.5Å; M103-F115 HydrophobicContact CE-CE1 3.66Å; M103-F115 HydrophobicContact CE-CG 4.21Å; M103-F115 HydrophobicContact CE-CZ 4.45Å; M103-F115 HydrophobicContact CG-CB 3.79Å; M103-F115 HydrophobicContact CG-CD1 4.06Å; M103-F115 HydrophobicContact CG-CD2 4.36Å; M103-F115 HydrophobicContact CG-CG 3.81Å; M103-A277 HydrophobicContact CE-CB 4.14Å; M103-G278 VanDerWaalsContact CE-O 3.28Å; M103-G278 WeakPolarHBondContact CE-O 3.21Å; M103-P280 HydrophobicContact SD-CB 4.13Å; M103-P280 HydrophobicContact SD-CG 3.77Å
104R93.1Very high90.9Very high129 Ų12957.6 Ų57.649%0.48731%0.312SS..EExtended strand (participates in β ladder)trans-112.3132.4175.2-69.6-161.7176.6-167.62.4110.6V109 I281R104-V109 HydrophobicContact CG-CG2 4.26Å; R104-I281 HydrophobicContact CG-CD1 4.05Å
105A91.1Very high91.1Very high3 Ų353.5 Ų53.53%0.02529%0.287CS..EExtended strand (participates in β ladder)trans-132.3109.217000000108.6D107 S108 Y110 F115 F130 L132 L137A105-D107 PolarHBondContact O-N 3.42Å; A105-S108 PolarHBondContact N-O 3.06Å; A105-S108 PolarHBondContact O-N 2.93Å; A105-Y110 HydrophobicContact CB-CE2 4.13Å; A105-F115 HydrophobicContact CB-CE2 3.88Å; A105-F115 HydrophobicContact CB-CZ 4.23Å; A105-F130 HydrophobicContact CB-CE2 3.85Å; A105-F130 HydrophobicContact CB-CZ 3.73Å; A105-L132 HydrophobicContact CB-CD2 4.04Å; A105-L137 HydrophobicContact CB-CD2 4.43Å
106R88.3Confident91.5Very high138 Ų13855.8 Ų55.852%0.52129%0.286SS..THydrogen-bonded Turntrans53.3-121.4-169.8-55.2-173.3178.9-166-4.4110.5L132 T273 L275R106-L132 HydrophobicContact CB-CD2 4.23Å; R106-L132 HydrophobicContact CG-CD2 4.07Å; R106-T273 PolarHBondContact NH2-OG1 3.23Å; R106-L275 HydrophobicContact CG-CD1 3.98Å
107D87.4Confident91.7Very high164 Ų16455.3 Ų55.388%0.87728%0.284SS*.THydrogen-bonded Turntrans-91.3-2.8-178.6-52.7-53.3000113.2A105A105-D107 PolarHBondContact O-N 3.42Å
108S91.6Very high92.1Very high20 Ų2056.1 Ų56.114%0.1429%0.289CS..EExtended strand (participates in β ladder)trans-97.7141.1-179.4-680000112.3A105 Y110A105-S108 PolarHBondContact N-O 3.06Å; A105-S108 PolarHBondContact O-N 2.93Å; S108-Y110 VanDerWaalsContact CB-CE2 3.41Å
109V93.4Very high92.5Very high9 Ų956.1 Ų56.16%0.05529%0.285CS..EExtended strand (participates in β ladder)trans-114140.3177.9-169.50000109.6I87 C89 A90 F96 V102 R104I87-V109 HydrophobicContact CG2-CB 4.01Å; I87-V109 HydrophobicContact CG2-CG2 3.78Å; C89-V109 VanDerWaalsContact CA-O 3.31Å; C89-V109 WeakPolarHBondContact CA-O 3.44Å; A90-V109 PolarHBondContact N-O 3.12Å; F96-V109 HydrophobicContact CD2-CG1 4.45Å; F96-V109 HydrophobicContact CE1-CG1 4.29Å; F96-V109 HydrophobicContact CE2-CB 3.98Å; F96-V109 HydrophobicContact CE2-CG1 3.64Å; F96-V109 HydrophobicContact CZ-CB 4.05Å; F96-V109 HydrophobicContact CZ-CG1 3.53Å; V102-V109 HydrophobicContact CB-CG1 3.6Å; V102-V109 HydrophobicContact CG1-CG1 4.05Å; V102-V109 HydrophobicContact CG2-CG1 3.66Å; R104-V109 HydrophobicContact CG-CG2 4.26Å
110Y94.4Very high93Very high1 Ų155.1 Ų55.10%0.00428%0.277CS..EExtended strand (participates in β ladder)trans-134.1146.4-177-58-98.1000110.7A90 K91 V102 M103 A105 S108 F115 L137A90-Y110 HydrophobicContact CB-CD1 4.25Å; A90-Y110 HydrophobicContact CB-CE1 3.63Å; A90-Y110 HydrophobicContact CB-CE2 4.35Å; K91-Y110 HydrophobicContact CB-CD1 4.03Å; K91-Y110 HydrophobicContact CB-CE1 4.27Å; V102-Y110 WeakPolarHBondContact CA-O 3.34Å; M103-Y110 PolarHBondContact N-O 3.08Å; M103-Y110 PolarHBondContact O-N 3.42Å; A105-Y110 HydrophobicContact CB-CE2 4.13Å; S108-Y110 VanDerWaalsContact CB-CE2 3.41Å; Y110-F115 AromaticContact CD2-CD2 3.78Å; Y110-F115 HydrophobicContact CD2-CD2 3.78Å; Y110-F115 AromaticContact CD2-CE2 3.95Å; Y110-F115 HydrophobicContact CD2-CE2 3.95Å; Y110-F115 HydrophobicContact CE2-CE2 4.37Å; Y110-F115 AromaticContact CG-CD2 3.8Å; Y110-F115 HydrophobicContact CG-CD2 3.8Å; Y110-F115 HydrophobicContact CG-CE2 4.43Å; Y110-L137 HydrophobicContact CD1-CD1 4.17Å; Y110-L137 HydrophobicContact CE1-CD1 4.05Å; Y110-L137 HydrophobicContact CE1-CG 4.5Å
111H95.4Very high93.2Very high36 Ų3656.4 Ų56.417%0.16729%0.29CS..EExtended strand (participates in β ladder)trans-60.7149.6161.3-60.8106.8000109.3C89 C92 F96 E113 C114 F115C89-H111 WeakPolarHBondContact CB-ND1 3.47Å; C92-H111 PolarHBondContact SG-CE1 3.41Å; C92-H111 PolarHBondContact SG-ND1 3.13Å; F96-H111 AromaticContact CD1-CD2 3.46Å; F96-H111 VanDerWaalsContact CD1-CD2 3.46Å; F96-H111 WeakPolarHBondContact CD1-CD2 3.49Å; F96-H111 AromaticContact CD1-NE2 3.33Å; F96-H111 VanDerWaalsContact CD1-NE2 3.33Å; F96-H111 WeakPolarHBondContact CD1-NE2 3.44Å; F96-H111 AromaticContact CE1-CD2 3.36Å; F96-H111 WeakPolarHBondContact CE1-CD2 3.14Å; F96-H111 AromaticContact CE1-CE1 3.85Å; F96-H111 AromaticContact CE1-CG 3.77Å; F96-H111 AromaticContact CE1-NE2 3.4Å; F96-H111 WeakPolarHBondContact CE1-NE2 3.41Å; H111-E113 PolarHBondContact O-N 2.79Å; H111-C114 HydrophobicContact CB-CB 3.92Å; H111-C114 WeakPolarHBondContact O-CA 3.09Å; H111-C114 WeakPolarHBondContact O-CB 3.46Å; H111-C114 PolarHBondContact O-N 3.18Å; H111-F115 PolarHBondContact O-N 2.79Å
112I94.3Very high93.3Very high57 Ų5758.1 Ų58.129%0.29229%0.291SS..THydrogen-bonded Turntrans-52.9-41.7174.4-70169.9000111L101 M103 C114 F115 Q123 P280L101-I112 HydrophobicContact CB-CD1 3.58Å; M103-I112 HydrophobicContact CG-CG1 4.19Å; I112-C114 VanDerWaalsContact C-N 3.32Å; I112-F115 PolarHBondContact O-N 3.47Å; I112-Q123 VanDerWaalsContact CG2-NE2 3.26Å; I112-Q123 PolarHBondContact O-NE2 2.92Å; I112-P280 HydrophobicContact CD1-CB 3.81Å; I112-P280 HydrophobicContact CD1-CG 3.96Å; I112-P280 HydrophobicContact CG1-CB 4.13Å; I112-P280 HydrophobicContact CG1-CG 4.22Å
113E94.3Very high93.4Very high145 Ų14560.7 Ų60.768%0.67830%0.303SS*.THydrogen-bonded Turntrans-72.7-25.4178.3-63.1177.4-176.700113.4H111 R116H111-E113 PolarHBondContact O-N 2.79Å; E113-R116 WeakPolarHBondContact O-CD 3.4Å; E113-R116 WeakPolarHBondContact O-CG 3.33Å; E113-R116 PolarHBondContact O-NE 3.44Å
114C94.9Very high93.4Very high18 Ų1860.5 Ų60.512%0.12230%0.302CS..THydrogen-bonded Turntrans-81.8-19.7177.5-73.60000112.4K91 H111 I112 R116K91-C114 HydrophobicContact CB-CB 4.03Å; K91-C114 HydrophobicContact CD-CB 3.95Å; K91-C114 WeakPolarHBondContact CD-O 3.19Å; K91-C114 HydrophobicContact CG-CB 4.49Å; H111-C114 HydrophobicContact CB-CB 3.92Å; H111-C114 WeakPolarHBondContact O-CA 3.09Å; H111-C114 WeakPolarHBondContact O-CB 3.46Å; H111-C114 PolarHBondContact O-N 3.18Å; I112-C114 VanDerWaalsContact C-N 3.32Å; C114-R116 PolarHBondContact O-N 3.02Å
115F96.5Very high93.4Very high1 Ų158.6 Ų58.60%0.00430%0.301CS..  trans-77.771.7-177.7-155.7-105.4000111.6M103 A105 Y110 H111 I112 L124 F130 L137 A277M103-F115 HydrophobicContact CB-CB 3.89Å; M103-F115 HydrophobicContact CB-CD1 4.09Å; M103-F115 HydrophobicContact CB-CD2 3.61Å; M103-F115 HydrophobicContact CB-CE2 4.14Å; M103-F115 HydrophobicContact CB-CG 3.58Å; M103-F115 HydrophobicContact CE-CD1 3.5Å; M103-F115 HydrophobicContact CE-CE1 3.66Å; M103-F115 HydrophobicContact CE-CG 4.21Å; M103-F115 HydrophobicContact CE-CZ 4.45Å; M103-F115 HydrophobicContact CG-CB 3.79Å; M103-F115 HydrophobicContact CG-CD1 4.06Å; M103-F115 HydrophobicContact CG-CD2 4.36Å; M103-F115 HydrophobicContact CG-CG 3.81Å; A105-F115 HydrophobicContact CB-CE2 3.88Å; A105-F115 HydrophobicContact CB-CZ 4.23Å; Y110-F115 AromaticContact CD2-CD2 3.78Å; Y110-F115 HydrophobicContact CD2-CD2 3.78Å; Y110-F115 AromaticContact CD2-CE2 3.95Å; Y110-F115 HydrophobicContact CD2-CE2 3.95Å; Y110-F115 HydrophobicContact CE2-CE2 4.37Å; Y110-F115 AromaticContact CG-CD2 3.8Å; Y110-F115 HydrophobicContact CG-CD2 3.8Å; Y110-F115 HydrophobicContact CG-CE2 4.43Å; H111-F115 PolarHBondContact O-N 2.79Å; I112-F115 PolarHBondContact O-N 3.47Å; F115-L124 HydrophobicContact CD1-CB 3.63Å; F115-L124 HydrophobicContact CD1-CD1 4.4Å; F115-L124 WeakPolarHBondContact CD1-O 3.45Å; F115-L124 HydrophobicContact CE1-CB 3.67Å; F115-L124 HydrophobicContact CE1-CD1 4.13Å; F115-L124 PolarHBondContact O-N 3.39Å; F115-F130 HydrophobicContact CE1-CE1 4.4Å; F115-F130 HydrophobicContact CE2-CE2 4.5Å; F115-F130 HydrophobicContact CE2-CZ 4.49Å; F115-F130 HydrophobicContact CZ-CD1 4.42Å; F115-F130 HydrophobicContact CZ-CD2 4.38Å; F115-F130 AromaticContact CZ-CE1 3.93Å; F115-F130 HydrophobicContact CZ-CE1 3.93Å; F115-F130 AromaticContact CZ-CE2 3.88Å; F115-F130 HydrophobicContact CZ-CE2 3.88Å; F115-F130 AromaticContact CZ-CZ 3.65Å; F115-F130 HydrophobicContact CZ-CZ 3.65Å; F115-L137 HydrophobicContact CD2-CD1 3.43Å; F115-L137 VanDerWaalsContact CD2-CD1 3.43Å; F115-L137 HydrophobicContact CD2-CD2 4.34Å; F115-L137 HydrophobicContact CE2-CD1 3.66Å; F115-L137 HydrophobicContact CE2-CD2 3.68Å; F115-L137 HydrophobicContact CE2-CG 4.35Å; F115-L137 HydrophobicContact CG-CD1 4.02Å; F115-L137 HydrophobicContact CZ-CD1 4.4Å; F115-L137 HydrophobicContact CZ-CD2 4.07Å; F115-A277 HydrophobicContact CE1-CB 3.96Å
116R95.7Very high93.4Very high81 Ų8161.4 Ų61.431%0.30632%0.319SS..BIsolated β-bridgetrans-131150.1-173.5-63.5177.8178.6-88.8-6.5110.5E113 C114 S118 S121 R122 Q123E113-R116 WeakPolarHBondContact O-CD 3.4Å; E113-R116 WeakPolarHBondContact O-CG 3.33Å; E113-R116 PolarHBondContact O-NE 3.44Å; C114-R116 PolarHBondContact O-N 3.02Å; R116-S118 PolarHBondContact O-N 3.12Å; R116-S121 WeakPolarHBondContact CD-O 3.31Å; R116-S121 PolarHBondContact NH1-O 2.78Å; R116-R122 CarbonylContact C-O 3.45Å; R116-R122 WeakPolarHBondContact CA-O 3.4Å; R116-Q123 HydrophobicContact CG-CB 4.16Å; R116-Q123 HydrophobicContact CG-CG 4.37Å
117C94.6Very high93.5Very high0 Ų057.3 Ų57.30%032%0.32CS..  trans-58.9133.2172.5-174.40000110.9V119 C120 S121 R122 L137 C139 D142C117-V119 PolarHBondContact O-N 3.22Å; C117-V119 PolarHBondContact SG-N 3.32Å; C117-C120 WeakPolarHBondContact CB-SG 3.36Å; C117-S121 WeakPolarHBondContact O-CA 3.46Å; C117-S121 PolarHBondContact O-N 3.25Å; C117-R122 PolarHBondContact N-O 2.84Å; C117-L137 CarbonylContact C-O 3.59Å; C117-L137 WeakPolarHBondContact CA-O 3.47Å; C117-C139 HydrophobicContact CB-CB 4.18Å; C117-C139 PolarHBondContact SG-N 3.15Å; C117-D142 PolarHBondContact SG-OD2 3.36Å
118S92.4Very high93.8Very high62 Ų6251.4 Ų51.443%0.43429%0.288SS..THydrogen-bonded Turntrans-67.8-22.3177.7-610000113.4R116 L137R116-S118 PolarHBondContact O-N 3.12Å; S118-L137 PolarHBondContact N-O 2.79Å
119V91.4Very high93.9Very high95 Ų9554.5 Ų54.558%0.57630%0.3SS*.THydrogen-bonded Turntrans-92.1-64.2-178.4178.70000110.9C117 L138 D142C117-V119 PolarHBondContact O-N 3.22Å; C117-V119 PolarHBondContact SG-N 3.32Å; V119-L138 HydrophobicContact CG2-CD2 3.62Å; V119-D142 HydrophobicContact CB-CB 4.09Å; V119-D142 HydrophobicContact CG1-CB 4.36Å; V119-D142 HydrophobicContact CG2-CB 4.3Å
120C93.3Very high93.9Very high63 Ų6354.4 Ų54.443%0.42630%0.3SS..THydrogen-bonded Turntrans-88.9-2-176.465.40000114.8C117 R122 D142C117-C120 WeakPolarHBondContact CB-SG 3.36Å; C120-R122 PolarHBondContact O-N 3.22Å; C120-R122 VanDerWaalsContact SG-CB 3.53Å; C120-D142 PolarHBondContact SG-OD2 3.46Å
121S93.8Very high93.7Very high76 Ų7654.4 Ų54.453%0.53130%0.3SS..  trans58.96.9-176.4-62.40000115.8R116 C117 Q123R116-S121 WeakPolarHBondContact CD-O 3.31Å; R116-S121 PolarHBondContact NH1-O 2.78Å; C117-S121 WeakPolarHBondContact O-CA 3.46Å; C117-S121 PolarHBondContact O-N 3.25Å; S121-Q123 PolarHBondContact O-N 2.78Å
122R94.9Very high93.5Very high116 Ų11653.3 Ų53.344%0.43830%0.295SS..  trans-63.7134.1176.3-167.5-177.684.494.12.6110.3R116 C117 C120 D128R116-R122 CarbonylContact C-O 3.45Å; R116-R122 WeakPolarHBondContact CA-O 3.4Å; C117-R122 PolarHBondContact N-O 2.84Å; C120-R122 PolarHBondContact O-N 3.22Å; C120-R122 VanDerWaalsContact SG-CB 3.53Å; R122-D128 IonicContact CZ-OD2 3.22Å; R122-D128 IonicContact NH1-OD2 3.25Å; R122-D128 PolarHBondContact NH1-OD2 2.95Å; R122-D128 VanDerWaalsContact NH2-CG 3.26Å; R122-D128 IonicContact NH2-OD1 2.87Å; R122-D128 IonicContact NH2-OD2 2.64Å; R122-D128 PolarHBondContact NH2-OD2 2.83Å
123Q95.3Very high93.1Very high54 Ų5453.6 Ų53.625%0.25229%0.292SS..BIsolated β-bridgetrans-68132.8171.9-164.8172.36.100110.9I112 R116 S121 L125I112-Q123 VanDerWaalsContact CG2-NE2 3.26Å; I112-Q123 PolarHBondContact O-NE2 2.92Å; R116-Q123 HydrophobicContact CG-CB 4.16Å; R116-Q123 HydrophobicContact CG-CG 4.37Å; S121-Q123 PolarHBondContact O-N 2.78Å; Q123-L125 HydrophobicContact CG-CD2 4.26Å
124L94.6Very high92.3Very high3 Ų355.1 Ų55.12%0.01630%0.299CS..  trans-91.6112.3178.1-61.5170.5000108F115 F130 L137 C139F115-L124 HydrophobicContact CD1-CB 3.63Å; F115-L124 HydrophobicContact CD1-CD1 4.4Å; F115-L124 WeakPolarHBondContact CD1-O 3.45Å; F115-L124 HydrophobicContact CE1-CB 3.67Å; F115-L124 HydrophobicContact CE1-CD1 4.13Å; F115-L124 PolarHBondContact O-N 3.39Å; L124-F130 HydrophobicContact CD1-CB 3.67Å; L124-F130 HydrophobicContact CD1-CD2 4.29Å; L124-F130 HydrophobicContact CD1-CG 4.01Å; L124-F130 HydrophobicContact CD2-CB 4.19Å; L124-F130 HydrophobicContact CG-CB 4.5Å; L124-L137 HydrophobicContact CD1-CB 3.94Å; L124-C139 HydrophobicContact CD2-CB 3.74Å
125L93.3Very high91.5Very high89 Ų8959.7 Ų59.747%0.46632%0.319SS..  trans-92.9160.1-176.9-63.2-178.9000111.2Q123 G127 D128 A277Q123-L125 HydrophobicContact CG-CD2 4.26Å; L125-G127 PolarHBondContact O-N 3.15Å; L125-D128 PolarHBondContact N-OD2 3.3Å; L125-D128 WeakPolarHBondContact O-CB 3.38Å; L125-D128 PolarHBondContact O-N 3.49Å; L125-A277 VanDerWaalsContact O-CB 3.22Å; L125-A277 WeakPolarHBondContact O-CB 3.45Å
126P92.6Very high91.1Very high62 Ų6265 Ų6540%0.40334%0.343SS..THydrogen-bonded Turntrans-53128.7175.4-26.736.6000111.9A277P126-A277 CarbonylContact C-O 3.41Å; P126-A277 WeakPolarHBondContact CA-O 3.49Å
127G90.4Very high91Very high52 Ų5261.2 Ų61.254%0.53633%0.329SS..THydrogen-bonded Turntrans94.6-14.4-172.800000114.8L125 A277L125-G127 PolarHBondContact O-N 3.15Å; G127-A277 PolarHBondContact N-O 2.96Å
128D93.1Very high90.9Very high39 Ų3961.5 Ų61.521%0.20933%0.331CS..  trans-71137.8174.9-74.2-19.2000111.4R122 L125 V276 A277R122-D128 IonicContact CZ-OD2 3.22Å; R122-D128 IonicContact NH1-OD2 3.25Å; R122-D128 PolarHBondContact NH1-OD2 2.95Å; R122-D128 VanDerWaalsContact NH2-CG 3.26Å; R122-D128 IonicContact NH2-OD1 2.87Å; R122-D128 IonicContact NH2-OD2 2.64Å; R122-D128 PolarHBondContact NH2-OD2 2.83Å; L125-D128 PolarHBondContact N-OD2 3.3Å; L125-D128 WeakPolarHBondContact O-CB 3.38Å; L125-D128 PolarHBondContact O-N 3.49Å; D128-V276 WeakPolarHBondContact O-CA 3.12Å; D128-A277 PolarHBondContact O-N 3.43Å
129E92.9Very high91Very high85 Ų8558.9 Ų58.940%0.39731%0.312SS..EExtended strand (participates in β ladder)trans-81.1131.4170.1-71.1171.9-134.300110.6R140 L275 V276E129-R140 HydrophobicContact CB-CB 4.15Å; E129-R140 PolarHBondContact O-N 2.86Å; E129-R140 VanDerWaalsContact O-N 3.14Å; E129-R140 IonicContact OE1-NH1 3.41Å; E129-R140 PolarHBondContact OE1-NH1 3.45Å; E129-R140 WeakPolarHBondContact OE2-CD 3.36Å; E129-R140 IonicContact OE2-CZ 3.06Å; E129-R140 IonicContact OE2-NE 3.94Å; E129-R140 IonicContact OE2-NH1 3.66Å; E129-R140 PolarHBondContact OE2-NH1 3.46Å; E129-L275 WeakPolarHBondContact CA-O 3.17Å; E129-V276 HydrophobicContact CG-CG2 4.28Å
130F93.8Very high90.9Very high8 Ų862 Ų624%0.03531%0.314CS..EExtended strand (participates in β ladder)trans-145.8161.417976.1-80.3000110.9A105 F115 L124 L132 L137 L138 L275 A277A105-F130 HydrophobicContact CB-CE2 3.85Å; A105-F130 HydrophobicContact CB-CZ 3.73Å; F115-F130 HydrophobicContact CE1-CE1 4.4Å; F115-F130 HydrophobicContact CE2-CE2 4.5Å; F115-F130 HydrophobicContact CE2-CZ 4.49Å; F115-F130 HydrophobicContact CZ-CD1 4.42Å; F115-F130 HydrophobicContact CZ-CD2 4.38Å; F115-F130 AromaticContact CZ-CE1 3.93Å; F115-F130 HydrophobicContact CZ-CE1 3.93Å; F115-F130 AromaticContact CZ-CE2 3.88Å; F115-F130 HydrophobicContact CZ-CE2 3.88Å; F115-F130 AromaticContact CZ-CZ 3.65Å; F115-F130 HydrophobicContact CZ-CZ 3.65Å; L124-F130 HydrophobicContact CD1-CB 3.67Å; L124-F130 HydrophobicContact CD1-CD2 4.29Å; L124-F130 HydrophobicContact CD1-CG 4.01Å; L124-F130 HydrophobicContact CD2-CB 4.19Å; L124-F130 HydrophobicContact CG-CB 4.5Å; F130-L132 HydrophobicContact CE2-CB 4.21Å; F130-L137 HydrophobicContact CD2-CD2 3.67Å; F130-L137 HydrophobicContact CE2-CD2 3.53Å; F130-L138 CarbonylContact C-O 3.43Å; F130-L138 WeakPolarHBondContact CA-O 3.47Å; F130-L138 VanDerWaalsContact CB-O 3.28Å; F130-L138 WeakPolarHBondContact CB-O 3.34Å; F130-L275 HydrophobicContact CD1-CB 4.14Å; F130-L275 WeakPolarHBondContact CD1-O 3.39Å; F130-L275 HydrophobicContact CE1-CB 3.6Å; F130-L275 HydrophobicContact CE2-CB 4.1Å; F130-L275 HydrophobicContact CE2-CD1 3.94Å; F130-L275 HydrophobicContact CZ-CB 3.57Å; F130-L275 HydrophobicContact CZ-CD1 3.81Å; F130-L275 HydrophobicContact CZ-CG 4.35Å; F130-L275 PolarHBondContact N-O 3.21Å; F130-L275 PolarHBondContact O-N 2.86Å; F130-L275 VanDerWaalsContact O-O 3.06Å; F130-A277 HydrophobicContact CD1-CB 4.17Å; F130-A277 HydrophobicContact CE1-CB 4.11Å
131S91Very high90.7Very high1 Ų162 Ų621%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-114.4140.7168.669.60000109.8L138 H143S131-L138 PolarHBondContact N-O 3.32Å; S131-L138 PolarHBondContact O-N 3.15Å; S131-L138 WeakPolarHBondContact OG-CB 3.21Å; S131-H143 VanDerWaalsContact CB-CD2 3.44Å; S131-H143 WeakPolarHBondContact CB-CD2 3.49Å; S131-H143 PolarHBondContact OG-CD2 2.97Å
132L91Very high90.4Very high12 Ų1259.7 Ų59.76%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-105.8124.9172179.467.2000109.2A105 R106 F130 E136 L137 L275A105-L132 HydrophobicContact CB-CD2 4.04Å; R106-L132 HydrophobicContact CB-CD2 4.23Å; R106-L132 HydrophobicContact CG-CD2 4.07Å; F130-L132 HydrophobicContact CE2-CB 4.21Å; L132-E136 WeakPolarHBondContact CA-O 3.21Å; L132-L137 HydrophobicContact CD1-CD2 3.72Å; L132-L137 HydrophobicContact CD1-CG 4.38Å; L132-L275 HydrophobicContact CB-CD1 4.08Å
133R84.8Confident90.1Very high63 Ų6355.7 Ų55.724%0.23829%0.286CS..EExtended strand (participates in β ladder)trans-123.4109.6171.4-67.8-171.9175.8-141.9-4.2108.7H135 E136 L138 L270R133-H135 VanDerWaalsContact C-N 3.33Å; R133-H135 PolarHBondContact O-N 2.81Å; R133-E136 PolarHBondContact N-O 2.68Å; R133-E136 PolarHBondContact O-N 2.99Å; R133-L138 HydrophobicContact CG-CD1 4.46Å; R133-L270 PolarHBondContact NH2-O 3.39Å
134E78.3Confident89.5Confident177 Ų17754.5 Ų54.583%0.82729%0.289SS*.THydrogen-bonded Turntrans55.1-87.6-171.1-58.3179.7-179.800112
135H78.3Confident88.8Confident114 Ų11459.7 Ų59.753%0.52832%0.316SS..THydrogen-bonded Turntrans-129.15.6174.8-55.2111.7000113.6R133R133-H135 VanDerWaalsContact C-N 3.33Å; R133-H135 PolarHBondContact O-N 2.81Å
136E88.8Confident88.1Confident112 Ų11259.5 Ų59.552%0.52332%0.315SS..EExtended strand (participates in β ladder)trans-91.2121.8178.7-62.3-170.9161.400110.9L132 R133L132-E136 WeakPolarHBondContact CA-O 3.21Å; R133-E136 PolarHBondContact N-O 2.68Å; R133-E136 PolarHBondContact O-N 2.99Å
137L93Very high87.4Confident3 Ų360.4 Ų60.42%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-93.5124.2174.9-63.6167.7000107.8A105 Y110 F115 C117 S118 L124 F130 L132A105-L137 HydrophobicContact CB-CD2 4.43Å; Y110-L137 HydrophobicContact CD1-CD1 4.17Å; Y110-L137 HydrophobicContact CE1-CD1 4.05Å; Y110-L137 HydrophobicContact CE1-CG 4.5Å; F115-L137 HydrophobicContact CD2-CD1 3.43Å; F115-L137 VanDerWaalsContact CD2-CD1 3.43Å; F115-L137 HydrophobicContact CD2-CD2 4.34Å; F115-L137 HydrophobicContact CE2-CD1 3.66Å; F115-L137 HydrophobicContact CE2-CD2 3.68Å; F115-L137 HydrophobicContact CE2-CG 4.35Å; F115-L137 HydrophobicContact CG-CD1 4.02Å; F115-L137 HydrophobicContact CZ-CD1 4.4Å; F115-L137 HydrophobicContact CZ-CD2 4.07Å; C117-L137 CarbonylContact C-O 3.59Å; C117-L137 WeakPolarHBondContact CA-O 3.47Å; S118-L137 PolarHBondContact N-O 2.79Å; L124-L137 HydrophobicContact CD1-CB 3.94Å; F130-L137 HydrophobicContact CD2-CD2 3.67Å; F130-L137 HydrophobicContact CE2-CD2 3.53Å; L132-L137 HydrophobicContact CD1-CD2 3.72Å; L132-L137 HydrophobicContact CD1-CG 4.38Å
138L92.6Very high86.7Confident6 Ų664.6 Ų64.63%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-119.5132.1175.4-66.9137000109.1V119 F130 S131 R133 D142 H143V119-L138 HydrophobicContact CG2-CD2 3.62Å; F130-L138 CarbonylContact C-O 3.43Å; F130-L138 WeakPolarHBondContact CA-O 3.47Å; F130-L138 VanDerWaalsContact CB-O 3.28Å; F130-L138 WeakPolarHBondContact CB-O 3.34Å; S131-L138 PolarHBondContact N-O 3.32Å; S131-L138 PolarHBondContact O-N 3.15Å; S131-L138 WeakPolarHBondContact OG-CB 3.21Å; R133-L138 HydrophobicContact CG-CD1 4.46Å; L138-D142 HydrophobicContact CD2-CB 4.25Å; L138-H143 HydrophobicContact CB-CB 4.18Å
139C93.6Very high85.7Confident6 Ų672.6 Ų72.64%0.04135%0.349CS..EExtended strand (participates in β ladder)trans-69.8161172.579.70000110.6C117 L124 A141 D142 H143C117-C139 HydrophobicContact CB-CB 4.18Å; C117-C139 PolarHBondContact SG-N 3.15Å; L124-C139 HydrophobicContact CD2-CB 3.74Å; C139-A141 PolarHBondContact O-N 3.46Å; C139-A141 VanDerWaalsContact O-N 3.15Å; C139-D142 PolarHBondContact O-N 3.23Å; C139-D142 PolarHBondContact SG-OD2 3.26Å; C139-H143 WeakPolarHBondContact O-CB 3.37Å; C139-H143 PolarHBondContact O-N 3.26Å
140R90.8Very high84.6Confident161 Ų16172 Ų7261%0.60836%0.358SS*.Hα-helixtrans-48.9-41177.7-178.9178175.2160.6-8114.1E129 G144E129-R140 HydrophobicContact CB-CB 4.15Å; E129-R140 PolarHBondContact O-N 2.86Å; E129-R140 VanDerWaalsContact O-N 3.14Å; E129-R140 IonicContact OE1-NH1 3.41Å; E129-R140 PolarHBondContact OE1-NH1 3.45Å; E129-R140 WeakPolarHBondContact OE2-CD 3.36Å; E129-R140 IonicContact OE2-CZ 3.06Å; E129-R140 IonicContact OE2-NE 3.94Å; E129-R140 IonicContact OE2-NH1 3.66Å; E129-R140 PolarHBondContact OE2-NH1 3.46Å; R140-G144 PolarHBondContact O-N 3.1Å; R140-G144 VanDerWaalsContact O-N 3.08Å
141A88.9Confident83.4Confident64 Ų6475.3 Ų75.353%0.52939%0.387SS..Hα-helixtrans-65.4-52.9-178.800000111.6C139 H143 G144 L145C139-A141 PolarHBondContact O-N 3.46Å; C139-A141 VanDerWaalsContact O-N 3.15Å; A141-H143 PolarHBondContact O-N 2.73Å; A141-G144 PolarHBondContact O-N 3.06Å; A141-L145 WeakPolarHBondContact O-CG 3.37Å; A141-L145 PolarHBondContact O-N 3.27Å; A141-L145 VanDerWaalsContact O-N 3.15Å
142D87.5Confident82.2Confident27 Ų2779.2 Ų79.214%0.14442%0.42CS..Hα-helixtrans-69.2-34.2-178-60.7-40.7000112.1C117 V119 C120 L138 C139 L146C117-D142 PolarHBondContact SG-OD2 3.36Å; V119-D142 HydrophobicContact CB-CB 4.09Å; V119-D142 HydrophobicContact CG1-CB 4.36Å; V119-D142 HydrophobicContact CG2-CB 4.3Å; C120-D142 PolarHBondContact SG-OD2 3.46Å; L138-D142 HydrophobicContact CD2-CB 4.25Å; C139-D142 PolarHBondContact O-N 3.23Å; C139-D142 PolarHBondContact SG-OD2 3.26Å; D142-L146 WeakPolarHBondContact O-CB 3.44Å; D142-L146 PolarHBondContact O-N 3.47Å
143H86.9Confident80.4Confident31 Ų3181.5 Ų81.514%0.14445%0.446CS..Hα-helixtrans-64.4-41.3174-178.9-101.4000111.9S131 L138 C139 A141 L146 L147S131-H143 VanDerWaalsContact CB-CD2 3.44Å; S131-H143 WeakPolarHBondContact CB-CD2 3.49Å; S131-H143 PolarHBondContact OG-CD2 2.97Å; L138-H143 HydrophobicContact CB-CB 4.18Å; C139-H143 WeakPolarHBondContact O-CB 3.37Å; C139-H143 PolarHBondContact O-N 3.26Å; A141-H143 PolarHBondContact O-N 2.73Å; H143-L146 PolarHBondContact O-N 3.4Å; H143-L147 PolarHBondContact O-N 3.47Å; H143-L147 VanDerWaalsContact O-N 3.12Å
144G82.6Confident78.6Confident30 Ų3082.4 Ų82.431%0.30946%0.462SS..Hα-helixtrans-61.2-47.6176.300000112.3R140 A141 L146 L147 E148R140-G144 PolarHBondContact O-N 3.1Å; R140-G144 VanDerWaalsContact O-N 3.08Å; A141-G144 PolarHBondContact O-N 3.06Å; G144-L146 VanDerWaalsContact C-N 3.34Å; G144-L146 PolarHBondContact O-N 2.93Å; G144-L147 PolarHBondContact O-N 3.36Å; G144-E148 PolarHBondContact O-N 3.27Å
145L81.1Confident77.2Confident111 Ų11180 Ų8058%0.58146%0.462SS*.Hα-helixtrans-62.3-38.9178.4-67.2175.3000112.7A141 L147 R149A141-L145 WeakPolarHBondContact O-CG 3.37Å; A141-L145 PolarHBondContact O-N 3.27Å; A141-L145 VanDerWaalsContact O-N 3.15Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L145-R149 WeakPolarHBondContact O-CB 3.14Å; L145-R149 PolarHBondContact O-N 2.77Å
146L78.2Confident75.7Confident86 Ų8685.7 Ų85.745%0.4548%0.479SS..Hα-helixtrans-64.6-39.2176.5-16580.3000111.5D142 H143 G144 A150D142-L146 WeakPolarHBondContact O-CB 3.44Å; D142-L146 PolarHBondContact O-N 3.47Å; H143-L146 PolarHBondContact O-N 3.4Å; G144-L146 VanDerWaalsContact C-N 3.34Å; G144-L146 PolarHBondContact O-N 2.93Å; L146-A150 WeakPolarHBondContact O-CB 3.28Å; L146-A150 PolarHBondContact O-N 2.93Å
147L77.8Confident73.4Confident81 Ų8185.7 Ų85.742%0.42449%0.491SS..Hα-helixtrans-71.6-41.1179.9-168.365000112H143 G144 L145 R149 A150 A151H143-L147 PolarHBondContact O-N 3.47Å; H143-L147 VanDerWaalsContact O-N 3.12Å; G144-L147 PolarHBondContact O-N 3.36Å; L145-L147 VanDerWaalsContact C-N 3.32Å; L147-R149 VanDerWaalsContact C-N 3.33Å; L147-A150 PolarHBondContact O-N 3.22Å; L147-A151 WeakPolarHBondContact O-CB 3.44Å; L147-A151 PolarHBondContact O-N 2.61Å
148E75.9Confident71.6Confident139 Ų13992.1 Ų92.165%0.6553%0.533SS*.Hα-helixtrans-62.1-41.7173.3-74.3-172.9160.600111.5G144 A150 A151 A152G144-E148 PolarHBondContact O-N 3.27Å; E148-A150 VanDerWaalsContact C-N 3.35Å; E148-A150 PolarHBondContact O-N 3.39Å; E148-A151 PolarHBondContact O-N 3.48Å; E148-A152 WeakPolarHBondContact O-CB 3.44Å; E148-A152 PolarHBondContact O-N 2.97Å
149R72.3Confident68.9Low208 Ų20894.9 Ų94.979%0.78556%0.563SS**Hα-helixtrans-67.7-34.5176.5-167.8157.3-175.5127.2-1.6112.8L145 L147 G153L145-R149 WeakPolarHBondContact O-CB 3.14Å; L145-R149 PolarHBondContact O-N 2.77Å; L147-R149 VanDerWaalsContact C-N 3.33Å; R149-G153 PolarHBondContact O-N 2.85Å
150A69.9Low66.8Low72 Ų72100.7 Ų100.760%0.59560%0.601SS**Hα-helixtrans-68.3-37.2172.800000112.1L146 L147 E148 G153L146-A150 WeakPolarHBondContact O-CB 3.28Å; L146-A150 PolarHBondContact O-N 2.93Å; L147-A150 PolarHBondContact O-N 3.22Å; E148-A150 VanDerWaalsContact C-N 3.35Å; E148-A150 PolarHBondContact O-N 3.39Å; A150-G153 PolarHBondContact O-N 3.31Å
151A68.9Low64.6Low77 Ų77101 Ų10164%0.63661%0.613SS**Hα-helixtrans-70.9-35.7175.700000112.7L147 E148 G153L147-A151 WeakPolarHBondContact O-CB 3.44Å; L147-A151 PolarHBondContact O-N 2.61Å; E148-A151 PolarHBondContact O-N 3.48Å; A151-G153 VanDerWaalsContact C-N 3.28Å; A151-G153 PolarHBondContact O-N 3.17Å
152A65Low62.7Low84 Ų84104 Ų10469%0.69463%0.627SS**Hα-helixtrans-75.6-12.9176.600000113.8E148 S154E148-A152 WeakPolarHBondContact O-CB 3.44Å; E148-A152 PolarHBondContact O-N 2.97Å; A152-S154 VanDerWaalsContact C-N 3.31Å; A152-S154 PolarHBondContact O-N 2.95Å
153G54Low60.2Low59 Ų59106.1 Ų106.161%0.60866%0.656SS**THydrogen-bonded Turntrans-82.34.8179.400000115.6R149 A150 A151R149-G153 PolarHBondContact O-N 2.85Å; A150-G153 PolarHBondContact O-N 3.31Å; A151-G153 VanDerWaalsContact C-N 3.28Å; A151-G153 PolarHBondContact O-N 3.17Å
154S47Very low58.2Low83 Ų83110.3 Ų110.358%0.5869%0.688SS**SBendtrans-85118172.4-152.50000109.5A152 R156A152-S154 VanDerWaalsContact C-N 3.31Å; A152-S154 PolarHBondContact O-N 2.95Å; S154-R156 VanDerWaalsContact C-N 3.32Å; S154-R156 PolarHBondContact O-N 3.24Å
155P49.2Very low56.1Low127 Ų127121.2 Ų121.283%0.82572%0.72SS**  trans-7490.717930.5-30.9000108.4
156R45.1Very low53.9Low233 Ų233119.5 Ų119.588%0.87973%0.73SS**  trans-102.4121.2158.8-77.4-173.9155.8-117.2-3.4107.7S154S154-R156 VanDerWaalsContact C-N 3.32Å; S154-R156 PolarHBondContact O-N 3.24Å
157S41.6Very low52.2Low112 Ų112123.9 Ų123.978%0.78375%0.753SS**  trans-41.5149.1-175.5-56.20000115.1G159S157-G159 PolarHBondContact O-N 3.22Å
158P55.8Low50.2Low137 Ų137128.8 Ų128.889%0.8977%0.773SS**  trans-73.3117.3175.429.9-30.2000109.9
159G35.2Very low48.5Very low65 Ų65129.7 Ų129.767%0.6778%0.781SS**  trans-110.1148.2168.100000110.7S157S157-G159 PolarHBondContact O-N 3.22Å
160P49.4Very low47.6Very low128 Ų128124.8 Ų124.883%0.83178%0.777SS**  trans-88.2154.7-149.50.818.6000114.1
161L44.5Very low45.7Very low167 Ų167128.8 Ų128.887%0.87479%0.788SS**  trans-49.8153.4166.8-58.6167.6000112.6
162P48.2Very low44.1Very low126 Ų126129.3 Ų129.382%0.81879%0.792SS**  -127.2142.9115.133.4-23.5000109.2
163G36.5Very low42.5Very low72 Ų72128.8 Ų128.874%0.74280%0.795SS**  cis10988.948.900000108.2
164S44.2Very low41.6Very low119 Ų119132.4 Ų132.483%0.83281%0.811SS**  trans-19.6139.8172.4-43.20000120
165R38.4Very low41Very low259 Ų259131.7 Ų131.798%0.97782%0.817SS**  trans178.6136.2143.4-97.9163.4176-148.9-3.1106.3
166G35.1Very low40.3Very low76 Ų76137.6 Ų137.678%0.78482%0.823SS**  cis165.5144.51000000105.2
167L41.9Very low40.2Very low178 Ų178135 Ų13593%0.93282%0.821SS**  trans-59.4140.5-173.5-62.5154.2000114.2
168H35.3Very low40.1Very low184 Ų184135.4 Ų135.485%0.85282%0.82SS**  trans-172.8128.7137.1-140.9-123.4000114.2
169L41.8Very low39.2Very low157 Ų157133.2 Ų133.282%0.82281%0.814SS**  trans-136.8154.5155.3-148.965000103.5
170P52.3Low39.4Very low106 Ų106138.6 Ų138.669%0.68883%0.827SS**  cis-146.7174.428.240-17.8000117.7
171D30.3Very low38.9Very low156 Ų156143.8 Ų143.883%0.83483%0.83SS**  169.1158.5115.9-165.734.4000113.3
172A34.7Very low38.7Very low87 Ų87141.9 Ų141.972%0.71983%0.827SS**  trans-40.7159.7-169.500000122.2
173G31.9Very low38.3Very low73 Ų73144.5 Ų144.575%0.75383%0.828SS**  trans162.468.9153.700000119.2
174S36.2Very low38.3Very low136 Ų136146.7 Ų146.795%0.95183%0.827SS**  trans66.5125140.5-147.70000121.9
175G32.6Very low38Very low68 Ų68149 Ų14970%0.70182%0.824SS**  trans138.396.813800000119.4
176R35.5Very low37.8Very low251 Ų251145.7 Ų145.795%0.94782%0.817SS**  trans85.494.1144.8-60.3-180179.6-107.3-0.9119.8
177Q43.7Very low37.7Very low179 Ų179150.3 Ų150.384%0.83682%0.818SS**PPolyproline II helixtrans-60.9150.6151.9-68.2-82.77.900112.7
178P39.3Very low37.4Very low119 Ų119147.6 Ų147.677%0.77381%0.809SS**PPolyproline II helixtrans-102.4121.9144.3-2.322.1000110.5
179A36.7Very low37.7Very low92 Ų92147.9 Ų147.976%0.7681%0.811SS**PPolyproline II helixtrans-62.6132.918000000113.2R181A179-R181 PolarHBondContact O-N 3.02Å
180L39.8Very low37.5Very low178 Ų178149.9 Ų149.993%0.93281%0.813SS**PPolyproline II helixtrans-66.2122.5160.1-65.2168.5000108.9
181R39.1Very low37Very low237 Ų237151 Ų15189%0.89482%0.818SS**  trans-106.4129164.2-79.8-170.9163.2-178.9-3.8109.4A179 H183A179-R181 PolarHBondContact O-N 3.02Å; R181-H183 PolarHBondContact O-N 3.13Å
182P39.3Very low37.6Very low127 Ų127149.7 Ų149.783%0.82582%0.816SS**  trans-80.5110169.730.3-27.3000108.8
183H39.7Very low38.3Very low180 Ų180157 Ų15783%0.83382%0.824SS**  trans-88.6110.2170.4-160-47.1000109.6R181 H185R181-H183 PolarHBondContact O-N 3.13Å; H183-H185 PolarHBondContact O-N 2.77Å
184V36.2Very low39Very low119 Ų119160.2 Ų160.272%0.72183%0.829SS**  trans-50.5129.1169.4173.30000110.5K186V184-K186 PolarHBondContact O-N 3.32Å
185H39Very low40.4Very low168 Ų168164 Ų16478%0.77882%0.823SS**  trans-61.8113.4168.9-116.473.4000109.3H183H183-H185 PolarHBondContact O-N 2.77Å
186K33.1Very low42Very low188 Ų188166.6 Ų166.682%0.81783%0.825SS**  trans-108.999.8157.9-151.6175.4-175.3-177.50106.1V184 T188V184-K186 PolarHBondContact O-N 3.32Å; K186-T188 PolarHBondContact O-N 3.46Å
187Q33Very low43.6Very low174 Ų174161.3 Ų161.381%0.81382%0.821SS**  trans-63.2103.6172.4-72.8-178.71.400107.8
188T36.7Very low45.5Very low120 Ų120154.9 Ų154.974%0.73679%0.792SS**  trans-92.5119156.538.10000107.1K186 K190K186-T188 PolarHBondContact O-N 3.46Å; T188-K190 PolarHBondContact O-N 3.02Å; T188-K190 VanDerWaalsContact O-N 3.11Å
189E39.9Very low47.8Very low191 Ų191154.2 Ų154.289%0.89378%0.782SS**  trans-48.9114.2179.2-65.9173.811500110.4T191E189-T191 PolarHBondContact O-N 2.87Å; E189-T191 VanDerWaalsContact O-N 3.11Å
190K38.8Very low50.3Low199 Ų199157.7 Ų157.787%0.86578%0.782SS**  trans-78.796.9173.4-65.1176.3-174.6172.50107.2T188 T192T188-K190 PolarHBondContact O-N 3.02Å; T188-K190 VanDerWaalsContact O-N 3.11Å; K190-T192 PolarHBondContact O-N 2.86Å
191T41.1Very low52.6Low128 Ų128157 Ų15779%0.78577%0.771SS**  trans-55110161.529.80000108.5E189 R193E189-T191 PolarHBondContact O-N 2.87Å; E189-T191 VanDerWaalsContact O-N 3.11Å; T191-R193 PolarHBondContact O-N 3.06Å
192T43.1Very low55Low130 Ų130147.7 Ų147.780%0.79874%0.738SS**  trans-59.2104.3170.843.20000108.1K190 V194K190-T192 PolarHBondContact O-N 2.86Å; T192-V194 PolarHBondContact O-N 3Å
193R50.6Low57.6Low239 Ų239143.7 Ų143.790%0.90271%0.71SS**  trans-61.1114.4177.8-73.9-172.2-176.5-158.60.6109T191 R195T191-R193 PolarHBondContact O-N 3.06Å; R193-R195 PolarHBondContact O-N 3.27Å
194V45.5Very low60.1Low141 Ų141140.8 Ų140.886%0.85570%0.696SS**PPolyproline II helixtrans-56.4119.5169.8178.80000107.9T192T192-V194 PolarHBondContact O-N 3Å
195R65.3Low62.7Low216 Ų216136.6 Ų136.682%0.81567%0.671SS**PPolyproline II helixtrans-76125.6178.3-172.8175.9-172155.12.2108.4R193 V197R193-R195 PolarHBondContact O-N 3.27Å; R195-V197 PolarHBondContact O-N 2.88Å
196T66.9Low65.4Low123 Ų123128.6 Ų128.676%0.75563%0.634SS**PPolyproline II helixtrans-60117.8169.522.50000109.8
197V69.1Low68.3Low140 Ų140126.5 Ų126.585%0.84862%0.621SS**PPolyproline II helixtrans-82.4128.9172.1-178.20000107.6R195R195-V197 PolarHBondContact O-N 2.88Å
198L83.4Confident71.1Confident44 Ų44121.9 Ų121.923%0.2361%0.605CS.*PPolyproline II helixtrans-86.3129.1178.5-165.373.4000109.4Q202 L203 L206 L230L198-Q202 HydrophobicContact CD1-CB 3.79Å; L198-Q202 HydrophobicContact CD1-CG 4.43Å; L198-Q202 VanDerWaalsContact CD1-OE1 3.31Å; L198-Q202 HydrophobicContact CD2-CB 4.17Å; L198-Q202 HydrophobicContact CG-CB 3.75Å; L198-L203 HydrophobicContact CD2-CB 3.98Å; L198-L203 HydrophobicContact CD2-CD1 4.04Å; L198-L206 HydrophobicContact CD2-CD1 3.58Å; L198-L230 HydrophobicContact CD1-CD1 3.35Å; L198-L230 HydrophobicContact CD1-CD2 3.36Å; L198-L230 HydrophobicContact CD1-CG 3.92Å; L198-L230 HydrophobicContact CD2-CD1 4.5Å
199N88Confident73.8Confident105 Ų105117.1 Ų117.156%0.56158%0.576SS**PPolyproline II helixtrans-63.9152.3178-168.6-10.4000110.7K201 Q202 L203N199-K201 VanDerWaalsContact C-N 3.32Å; N199-K201 PolarHBondContact O-N 3.12Å; N199-Q202 HydrophobicContact CB-CG 4.17Å; N199-Q202 VanDerWaalsContact CB-OE1 3.31Å; N199-Q202 WeakPolarHBondContact O-CB 3.42Å; N199-Q202 PolarHBondContact O-N 3.17Å; N199-Q202 VanDerWaalsContact O-N 3.11Å; N199-L203 PolarHBondContact O-N 3.45Å
200E88.1Confident76.4Confident165 Ų165109.3 Ų109.377%0.77154%0.538SS*.Hα-helixtrans-57.9-42.3-178.3-171.4157.6115.900112.4Q202 L203 H204E200-Q202 PolarHBondContact O-N 3.07Å; E200-L203 PolarHBondContact O-N 3.41Å; E200-H204 WeakPolarHBondContact O-CB 3.46Å; E200-H204 PolarHBondContact O-N 2.91Å
201K88.3Confident79Confident162 Ų162103.8 Ų103.870%0.70453%0.53SS*.Hα-helixtrans-58.8-46.5174.5-174.9179.4178.6-1770111.8N199 L203 H204 T205N199-K201 VanDerWaalsContact C-N 3.32Å; N199-K201 PolarHBondContact O-N 3.12Å; K201-L203 VanDerWaalsContact C-N 3.34Å; K201-L203 PolarHBondContact O-N 3.36Å; K201-H204 PolarHBondContact O-N 3.43Å; K201-T205 PolarHBondContact O-N 2.91Å; K201-T205 VanDerWaalsContact O-N 3.12Å; K201-T205 PolarHBondContact O-OG1 2.93Å
202Q90.3Very high81.4Confident42 Ų42102 Ų10220%0.19653%0.529CS..Hα-helixtrans-64.5-40.6179.1-64.4169.5-39.700111.2L198 N199 E200 L206 T228 L230L198-Q202 HydrophobicContact CD1-CB 3.79Å; L198-Q202 HydrophobicContact CD1-CG 4.43Å; L198-Q202 VanDerWaalsContact CD1-OE1 3.31Å; L198-Q202 HydrophobicContact CD2-CB 4.17Å; L198-Q202 HydrophobicContact CG-CB 3.75Å; N199-Q202 HydrophobicContact CB-CG 4.17Å; N199-Q202 VanDerWaalsContact CB-OE1 3.31Å; N199-Q202 WeakPolarHBondContact O-CB 3.42Å; N199-Q202 PolarHBondContact O-N 3.17Å; N199-Q202 VanDerWaalsContact O-N 3.11Å; E200-Q202 PolarHBondContact O-N 3.07Å; Q202-L206 WeakPolarHBondContact O-CG 3.4Å; Q202-L206 PolarHBondContact O-N 2.83Å; Q202-L206 VanDerWaalsContact O-N 3.15Å; Q202-T228 PolarHBondContact NE2-O 2.9Å; Q202-L230 HydrophobicContact CB-CD1 4.44Å
203L92.8Very high83.6Confident43 Ų4399.2 Ų99.223%0.22551%0.508CS..Hα-helixtrans-68-37.8178.3-173.659.2000112.1L198 N199 E200 K201 R207 W238L198-L203 HydrophobicContact CD2-CB 3.98Å; L198-L203 HydrophobicContact CD2-CD1 4.04Å; N199-L203 PolarHBondContact O-N 3.45Å; E200-L203 PolarHBondContact O-N 3.41Å; K201-L203 VanDerWaalsContact C-N 3.34Å; K201-L203 PolarHBondContact O-N 3.36Å; L203-R207 VanDerWaalsContact CD2-NH2 3.26Å; L203-R207 WeakPolarHBondContact O-CB 3.48Å; L203-R207 WeakPolarHBondContact O-CG 3.28Å; L203-R207 PolarHBondContact O-N 2.94Å; L203-W238 HydrophobicContact CD1-CZ2 4.03Å
204H92.6Very high85.4Confident120 Ų12090.5 Ų90.556%0.55648%0.483SS*.Hα-helixtrans-60.6-51.9174.5-178.283.7000110.9E200 K201 L206 R207 T208E200-H204 WeakPolarHBondContact O-CB 3.46Å; E200-H204 PolarHBondContact O-N 2.91Å; K201-H204 PolarHBondContact O-N 3.43Å; H204-L206 VanDerWaalsContact C-N 3.33Å; H204-L206 PolarHBondContact O-N 3.02Å; H204-R207 PolarHBondContact O-N 3.11Å; H204-R207 VanDerWaalsContact O-N 3.11Å; H204-T208 PolarHBondContact O-N 3.4Å; H204-T208 PolarHBondContact O-OG1 2.84Å; H204-T208 VanDerWaalsContact O-OG1 3.1Å
205T92Very high87.6Confident30 Ų3092.8 Ų92.818%0.18448%0.476CS..Hα-helixtrans-56-44.9177.9-54.30000112.3K201 T208 C209 L224 M227 T228K201-T205 PolarHBondContact O-N 2.91Å; K201-T205 VanDerWaalsContact O-N 3.12Å; K201-T205 PolarHBondContact O-OG1 2.93Å; T205-T208 PolarHBondContact O-N 3.4Å; T205-C209 PolarHBondContact O-N 3.29Å; T205-L224 HydrophobicContact CG2-CD2 3.91Å; T205-M227 HydrophobicContact CG2-CE 4.41Å; T205-T228 HydrophobicContact CG2-CG2 4.01Å
206L94.8Very high88.7Confident0 Ų082.9 Ų82.90%044%0.44CS..Hα-helixtrans-65.6-38.9177.8-67.9175.3000112.7L198 Q202 H204 Y210 L224 L230 I235 W238 F239L198-L206 HydrophobicContact CD2-CD1 3.58Å; Q202-L206 WeakPolarHBondContact O-CG 3.4Å; Q202-L206 PolarHBondContact O-N 2.83Å; Q202-L206 VanDerWaalsContact O-N 3.15Å; H204-L206 VanDerWaalsContact C-N 3.33Å; H204-L206 PolarHBondContact O-N 3.02Å; L206-Y210 WeakPolarHBondContact O-CB 3.47Å; L206-Y210 PolarHBondContact O-N 3.29Å; L206-L224 HydrophobicContact CD2-CD1 4.27Å; L206-L230 HydrophobicContact CD1-CD1 4.04Å; L206-I235 HydrophobicContact CD2-CG2 4.23Å; L206-W238 VanDerWaalsContact C-CH2 3.44Å; L206-W238 HydrophobicContact CB-CD2 3.98Å; L206-W238 HydrophobicContact CB-CE3 3.96Å; L206-W238 HydrophobicContact CB-CH2 3.65Å; L206-W238 HydrophobicContact CB-CZ2 3.63Å; L206-W238 HydrophobicContact CB-CZ3 3.82Å; L206-W238 HydrophobicContact CD1-CB 4.35Å; L206-W238 HydrophobicContact CD1-CD2 3.73Å; L206-W238 HydrophobicContact CD1-CE3 4.29Å; L206-W238 HydrophobicContact CD1-CG 3.72Å; L206-W238 HydrophobicContact CD2-CE3 4.47Å; L206-W238 HydrophobicContact CG-CD2 4.36Å; L206-W238 HydrophobicContact CG-CE3 4.49Å; L206-W238 VanDerWaalsContact O-CH2 3.27Å; L206-W238 WeakPolarHBondContact O-CH2 3.48Å; L206-W238 WeakPolarHBondContact O-CZ3 3.27Å; L206-F239 HydrophobicContact CD2-CE2 3.86Å
207R93.8Very high89.9Confident145 Ų14581.4 Ų81.455%0.54743%0.427SS..Hα-helixtrans-64.8-45.2176.5-76.1170.1178.4172.70.6111.7L203 H204 Y210 A211 W238L203-R207 VanDerWaalsContact CD2-NH2 3.26Å; L203-R207 WeakPolarHBondContact O-CB 3.48Å; L203-R207 WeakPolarHBondContact O-CG 3.28Å; L203-R207 PolarHBondContact O-N 2.94Å; H204-R207 PolarHBondContact O-N 3.11Å; H204-R207 VanDerWaalsContact O-N 3.11Å; R207-Y210 PolarHBondContact O-N 3.02Å; R207-A211 PolarHBondContact O-N 3.09Å; R207-W238 HydrophobicContact CG-CH2 4.47Å; R207-W238 HydrophobicContact CG-CZ2 4.19Å
208T93Very high90.9Very high77 Ų7778 Ų7847%0.47241%0.414SS..Hα-helixtrans-61.5-46.7178.4-57.60000110.8H204 T205 Y210 A211 A212H204-T208 PolarHBondContact O-N 3.4Å; H204-T208 PolarHBondContact O-OG1 2.84Å; H204-T208 VanDerWaalsContact O-OG1 3.1Å; T205-T208 PolarHBondContact O-N 3.4Å; T208-Y210 PolarHBondContact O-N 3.09Å; T208-A211 PolarHBondContact O-N 2.96Å; T208-A212 PolarHBondContact O-N 3.15Å
209C92.3Very high91.3Very high19 Ų1981.8 Ų81.813%0.12843%0.434CS..Hα-helixtrans-62.1-42.3175.6-176.10000112.2T205 A211 A212 N213 L224 F239T205-C209 PolarHBondContact O-N 3.29Å; C209-A211 VanDerWaalsContact C-N 3.33Å; C209-A211 PolarHBondContact O-N 3.41Å; C209-A212 PolarHBondContact O-N 3.26Å; C209-N213 PolarHBondContact O-N 3.46Å; C209-L224 HydrophobicContact CB-CD1 4.3Å; C209-L224 HydrophobicContact CB-CD2 4.06Å; C209-F239 HydrophobicContact CB-CZ 4.28Å
210Y95.4Very high91.4Very high27 Ų2781 Ų8111%0.10643%0.428CS..Hα-helixtrans-62.9-37.2178.3-176-91.7000113.6L206 R207 T208 A212 N213 P214 W238 F239 K242 R243 D246L206-Y210 WeakPolarHBondContact O-CB 3.47Å; L206-Y210 PolarHBondContact O-N 3.29Å; R207-Y210 PolarHBondContact O-N 3.02Å; T208-Y210 PolarHBondContact O-N 3.09Å; Y210-A212 VanDerWaalsContact C-N 3.3Å; Y210-N213 CarbonylContact O-C 3.5Å; Y210-P214 HydrophobicContact CD2-CB 4.34Å; Y210-P214 HydrophobicContact CE2-CB 3.82Å; Y210-W238 HydrophobicContact CD2-CZ3 4.25Å; Y210-W238 HydrophobicContact CG-CH2 4.46Å; Y210-W238 HydrophobicContact CG-CZ3 4.35Å; Y210-F239 AromaticContact CD2-CD1 3.71Å; Y210-F239 HydrophobicContact CD2-CD1 3.71Å; Y210-F239 AromaticContact CD2-CE1 3.81Å; Y210-F239 HydrophobicContact CD2-CE1 3.81Å; Y210-F239 HydrophobicContact CE2-CD1 4.45Å; Y210-F239 HydrophobicContact CG-CE1 4.41Å; Y210-K242 HydrophobicContact CD1-CG 3.96Å; Y210-K242 HydrophobicContact CD2-CB 4.36Å; Y210-K242 HydrophobicContact CD2-CG 3.64Å; Y210-K242 HydrophobicContact CE1-CD 4.35Å; Y210-K242 HydrophobicContact CE1-CG 3.83Å; Y210-K242 HydrophobicContact CE2-CB 4.15Å; Y210-K242 HydrophobicContact CE2-CG 3.51Å; Y210-K242 HydrophobicContact CG-CG 3.86Å; Y210-R243 HydrophobicContact CE2-CG 3.79Å; Y210-D246 WeakPolarHBondContact CE1-OD2 3.28Å; Y210-D246 PolarHBondContact OH-OD2 3.1Å
211A92.3Very high91.5Very high84 Ų8476.1 Ų76.169%0.69440%0.404SS*.Hα-helixtrans-64.6-36.9176.500000111.8R207 T208 C209R207-A211 PolarHBondContact O-N 3.09Å; T208-A211 PolarHBondContact O-N 2.96Å; C209-A211 VanDerWaalsContact C-N 3.33Å; C209-A211 PolarHBondContact O-N 3.41Å
212A91.4Very high91.7Very high91 Ų9174.7 Ų74.775%0.75240%0.4SS*.Hα-helixtrans-75.7-43.717600000112.5T208 C209 Y210T208-A212 PolarHBondContact O-N 3.15Å; C209-A212 PolarHBondContact O-N 3.26Å; Y210-A212 VanDerWaalsContact C-N 3.3Å
213N89.3Confident91.8Very high70 Ų7077 Ų7737%0.37441%0.411SS..  trans-147.5106.8179-173.8-5.3000111.9C209 Y210 R215 P216C209-N213 PolarHBondContact O-N 3.46Å; Y210-N213 CarbonylContact O-C 3.5Å; N213-R215 PolarHBondContact ND2-O 3.24Å; N213-R215 PolarHBondContact O-N 2.96Å; N213-R215 VanDerWaalsContact O-N 3.16Å; N213-R215 PolarHBondContact OD1-N 3.08Å; N213-R215 PolarHBondContact OD1-O 2.96Å; N213-P216 WeakPolarHBondContact O-CD 3.39Å
214P89Confident91.8Very high57 Ų5775.3 Ų75.337%0.3740%0.402SS..SBendtrans-65.3-16.1177.9-24.634.8000114.9Y210 R243Y210-P214 HydrophobicContact CD2-CB 4.34Å; Y210-P214 HydrophobicContact CE2-CB 3.82Å; P214-R243 WeakPolarHBondContact O-CD 3.36Å
215R92Very high91.9Very high188 Ų18871.4 Ų71.471%0.70939%0.386SS*.SBendtrans-130.173.2178.5-67.1-172.1178.4100.6-5.7109.8N213N213-R215 PolarHBondContact ND2-O 3.24Å; N213-R215 PolarHBondContact O-N 2.96Å; N213-R215 VanDerWaalsContact O-N 3.16Å; N213-R215 PolarHBondContact OD1-N 3.08Å; N213-R215 PolarHBondContact OD1-O 2.96Å
216P89Confident91.9Very high8 Ų877 Ų775%0.05241%0.41CS..  trans-60.2147.8178.126.2-33.9000110.6N213 M220 K221 F239N213-P216 WeakPolarHBondContact O-CD 3.39Å; P216-M220 HydrophobicContact CB-CB 3.99Å; P216-M220 HydrophobicContact CB-CG 3.88Å; P216-K221 HydrophobicContact CB-CG 4.4Å; P216-K221 HydrophobicContact CG-CG 4.17Å; P216-K221 WeakPolarHBondContact O-CE 3.49Å; P216-K221 PolarHBondContact O-NZ 3.15Å; P216-F239 HydrophobicContact CG-CD1 3.81Å; P216-F239 HydrophobicContact CG-CD2 4.32Å; P216-F239 HydrophobicContact CG-CE1 3.62Å; P216-F239 HydrophobicContact CG-CE2 4.15Å; P216-F239 HydrophobicContact CG-CG 4.19Å; P216-F239 HydrophobicContact CG-CZ 3.81Å
217D91.5Very high91.6Very high92 Ų9282.6 Ų82.649%0.49244%0.438SS..  trans-73.9-167.4176.962.88.3000111.4L219 M220 K221D217-L219 PolarHBondContact OD1-N 3.14Å; D217-M220 WeakPolarHBondContact OD1-CA 3.48Å; D217-M220 WeakPolarHBondContact OD1-CB 3.22Å; D217-M220 PolarHBondContact OD1-N 2.89Å; D217-K221 VanDerWaalsContact O-CG 3.26Å; D217-K221 WeakPolarHBondContact O-CG 3.36Å; D217-K221 PolarHBondContact O-NZ 3.22Å
218A90.2Very high91.5Very high68 Ų6876.2 Ų76.256%0.56242%0.415SS*.Hα-helixtrans-72.8-47179.800000111.6M220 K221 E222A218-M220 PolarHBondContact O-N 2.87Å; A218-K221 WeakPolarHBondContact O-CB 3.19Å; A218-K221 PolarHBondContact O-N 3.05Å; A218-K221 VanDerWaalsContact O-N 3.09Å; A218-E222 PolarHBondContact O-N 3Å
219L91.7Very high91.4Very high125 Ų12575.8 Ų75.865%0.65443%0.426SS*.Hα-helixtrans-61.2-46-178-173.170.1000112.1D217 K221 E222 Q223D217-L219 PolarHBondContact OD1-N 3.14Å; L219-K221 PolarHBondContact O-N 2.78Å; L219-E222 WeakPolarHBondContact O-CB 3.42Å; L219-E222 PolarHBondContact O-N 3.46Å; L219-E222 VanDerWaalsContact O-N 3.09Å; L219-Q223 PolarHBondContact O-N 3.27Å
220M89.9Confident91.4Very high88 Ų8876 Ų7643%0.43343%0.426SS..Hα-helixtrans-63-32.6176.8-169.870.166.300111.7P216 D217 A218 L224P216-M220 HydrophobicContact CB-CB 3.99Å; P216-M220 HydrophobicContact CB-CG 3.88Å; D217-M220 WeakPolarHBondContact OD1-CA 3.48Å; D217-M220 WeakPolarHBondContact OD1-CB 3.22Å; D217-M220 PolarHBondContact OD1-N 2.89Å; A218-M220 PolarHBondContact O-N 2.87Å; M220-L224 VanDerWaalsContact O-CG 3.25Å; M220-L224 WeakPolarHBondContact O-CG 3.33Å; M220-L224 PolarHBondContact O-N 3.38Å; M220-L224 VanDerWaalsContact O-N 3.08Å
221K91Very high91.3Very high63 Ų6377.6 Ų77.627%0.27444%0.441SS..Hα-helixtrans-69.2-38174.3-73.6-177.5-158.187.20111.8P216 D217 A218 L219 L224 V225 R236P216-K221 HydrophobicContact CB-CG 4.4Å; P216-K221 HydrophobicContact CG-CG 4.17Å; P216-K221 WeakPolarHBondContact O-CE 3.49Å; P216-K221 PolarHBondContact O-NZ 3.15Å; D217-K221 VanDerWaalsContact O-CG 3.26Å; D217-K221 WeakPolarHBondContact O-CG 3.36Å; D217-K221 PolarHBondContact O-NZ 3.22Å; A218-K221 WeakPolarHBondContact O-CB 3.19Å; A218-K221 PolarHBondContact O-N 3.05Å; A218-K221 VanDerWaalsContact O-N 3.09Å; L219-K221 PolarHBondContact O-N 2.78Å; K221-L224 PolarHBondContact O-N 3.35Å; K221-V225 WeakPolarHBondContact O-CG2 3.47Å; K221-V225 PolarHBondContact O-N 2.97Å; K221-R236 HydrophobicContact CD-CG 4.18Å
222E92.4Very high91.2Very high131 Ų13177.2 Ų77.261%0.61243%0.432SS*.Hα-helixtrans-64.3-44.4175.2-71.2176.3-178.700111A218 L219 L224 V225 E226A218-E222 PolarHBondContact O-N 3Å; L219-E222 WeakPolarHBondContact O-CB 3.42Å; L219-E222 PolarHBondContact O-N 3.46Å; L219-E222 VanDerWaalsContact O-N 3.09Å; E222-L224 VanDerWaalsContact C-N 3.27Å; E222-L224 PolarHBondContact O-N 3.47Å; E222-V225 WeakPolarHBondContact O-CB 3.43Å; E222-V225 PolarHBondContact O-N 3.03Å; E222-E226 PolarHBondContact O-N 2.72Å; E222-E226 VanDerWaalsContact O-N 3.1Å
223Q91.2Very high91.2Very high92 Ų9279.5 Ų79.543%0.4342%0.421SS..Hα-helixtrans-57.8-40.8173.9-167.46531.300112L219 V225 E226 M227L219-Q223 PolarHBondContact O-N 3.27Å; Q223-V225 VanDerWaalsContact C-N 3.34Å; Q223-V225 PolarHBondContact O-N 3.39Å; Q223-E226 PolarHBondContact O-N 2.94Å; Q223-M227 HydrophobicContact CG-CG 4.4Å; Q223-M227 HydrophobicContact CG-SD 4.06Å; Q223-M227 WeakPolarHBondContact O-CB 3.35Å; Q223-M227 VanDerWaalsContact O-CG 3.27Å; Q223-M227 WeakPolarHBondContact O-CG 3.46Å; Q223-M227 PolarHBondContact O-N 3.48Å
224L92.5Very high91.3Very high6 Ų678.5 Ų78.53%0.03142%0.417CS..Hα-helixtrans-67.6-33.1176.6-70.5171.4000112.6T205 L206 C209 M220 K221 E222 E226 T228 I235 F239T205-L224 HydrophobicContact CG2-CD2 3.91Å; L206-L224 HydrophobicContact CD2-CD1 4.27Å; C209-L224 HydrophobicContact CB-CD1 4.3Å; C209-L224 HydrophobicContact CB-CD2 4.06Å; M220-L224 VanDerWaalsContact O-CG 3.25Å; M220-L224 WeakPolarHBondContact O-CG 3.33Å; M220-L224 PolarHBondContact O-N 3.38Å; M220-L224 VanDerWaalsContact O-N 3.08Å; K221-L224 PolarHBondContact O-N 3.35Å; E222-L224 VanDerWaalsContact C-N 3.27Å; E222-L224 PolarHBondContact O-N 3.47Å; L224-E226 VanDerWaalsContact C-N 3.34Å; L224-T228 VanDerWaalsContact O-CB 3.28Å; L224-T228 WeakPolarHBondContact O-CB 3.22Å; L224-T228 WeakPolarHBondContact O-CG2 3.42Å; L224-T228 PolarHBondContact O-N 3.33Å; L224-T228 PolarHBondContact O-OG1 3.26Å; L224-I235 VanDerWaalsContact C-CD1 3.44Å; L224-I235 HydrophobicContact CB-CD1 3.76Å; L224-I235 HydrophobicContact CB-CG2 4.37Å; L224-I235 HydrophobicContact CD1-CG2 4.21Å; L224-F239 HydrophobicContact CD1-CE2 3.72Å; L224-F239 HydrophobicContact CD1-CZ 3.92Å
225V94.4Very high91.5Very high39 Ų3975.8 Ų75.824%0.23640%0.4CS..Hα-helixtrans-60.4-48.4173.4167.80000109.6K221 E222 Q223 G229 L230 P232 I235K221-V225 WeakPolarHBondContact O-CG2 3.47Å; K221-V225 PolarHBondContact O-N 2.97Å; E222-V225 WeakPolarHBondContact O-CB 3.43Å; E222-V225 PolarHBondContact O-N 3.03Å; Q223-V225 VanDerWaalsContact C-N 3.34Å; Q223-V225 PolarHBondContact O-N 3.39Å; V225-G229 VanDerWaalsContact O-CA 3.31Å; V225-G229 WeakPolarHBondContact O-CA 3.43Å; V225-G229 PolarHBondContact O-N 2.9Å; V225-L230 WeakPolarHBondContact CG1-O 3.43Å; V225-P232 HydrophobicContact CG2-CB 4.13Å; V225-P232 HydrophobicContact CG2-CG 3.86Å; V225-I235 HydrophobicContact CB-CD1 4.22Å; V225-I235 HydrophobicContact CG2-CD1 3.61Å; V225-I235 VanDerWaalsContact N-CD1 3.35Å
226E92.8Very high91.5Very high147 Ų14772.8 Ų72.869%0.68739%0.388SS*.Hα-helixtrans-63.1-49.4179.4-171178-167.300111.7E222 Q223 L224 T228E222-E226 PolarHBondContact O-N 2.72Å; E222-E226 VanDerWaalsContact O-N 3.1Å; Q223-E226 PolarHBondContact O-N 2.94Å; L224-E226 VanDerWaalsContact C-N 3.34Å; E226-T228 PolarHBondContact O-N 2.87Å
227M89.3Confident91.7Very high118 Ų11874.3 Ų74.358%0.58140%0.397SS*.Hα-helixtrans-68.5-31.6-177.3-69.7-176.673.900114T205 Q223T205-M227 HydrophobicContact CG2-CE 4.41Å; Q223-M227 HydrophobicContact CG-CG 4.4Å; Q223-M227 HydrophobicContact CG-SD 4.06Å; Q223-M227 WeakPolarHBondContact O-CB 3.35Å; Q223-M227 VanDerWaalsContact O-CG 3.27Å; Q223-M227 WeakPolarHBondContact O-CG 3.46Å; Q223-M227 PolarHBondContact O-N 3.48Å
228T90.7Very high91.8Very high10 Ų1072 Ų726%0.06138%0.382CS..Hα-helixtrans-101.5-14.9-175.366.70000113.5Q202 T205 L224 E226 L230Q202-T228 PolarHBondContact NE2-O 2.9Å; T205-T228 HydrophobicContact CG2-CG2 4.01Å; L224-T228 VanDerWaalsContact O-CB 3.28Å; L224-T228 WeakPolarHBondContact O-CB 3.22Å; L224-T228 WeakPolarHBondContact O-CG2 3.42Å; L224-T228 PolarHBondContact O-N 3.33Å; L224-T228 PolarHBondContact O-OG1 3.26Å; E226-T228 PolarHBondContact O-N 2.87Å; T228-L230 HydrophobicContact CG2-CD1 4.46Å; T228-L230 PolarHBondContact O-N 2.89Å; T228-L230 WeakPolarHBondContact OG1-CB 3.36Å; T228-L230 WeakPolarHBondContact OG1-CD1 3.33Å; T228-L230 VanDerWaalsContact OG1-CG 3.28Å; T228-L230 WeakPolarHBondContact OG1-CG 3.02Å; T228-L230 PolarHBondContact OG1-N 2.84Å
229G91.5Very high92.1Very high69 Ų6969 Ų6971%0.71136%0.356SS*.  trans64.615.9-172.300000113.6V225V225-G229 VanDerWaalsContact O-CA 3.31Å; V225-G229 WeakPolarHBondContact O-CA 3.43Å; V225-G229 PolarHBondContact O-N 2.9Å
230L92.3Very high92.1Very high22 Ų2267.3 Ų67.312%0.11535%0.345CS..  trans-91.7147.9-178-60.8171.7000111.1L198 Q202 L206 V225 T228 V234 I235L198-L230 HydrophobicContact CD1-CD1 3.35Å; L198-L230 HydrophobicContact CD1-CD2 3.36Å; L198-L230 HydrophobicContact CD1-CG 3.92Å; L198-L230 HydrophobicContact CD2-CD1 4.5Å; Q202-L230 HydrophobicContact CB-CD1 4.44Å; L206-L230 HydrophobicContact CD1-CD1 4.04Å; V225-L230 WeakPolarHBondContact CG1-O 3.43Å; T228-L230 HydrophobicContact CG2-CD1 4.46Å; T228-L230 PolarHBondContact O-N 2.89Å; T228-L230 WeakPolarHBondContact OG1-CB 3.36Å; T228-L230 WeakPolarHBondContact OG1-CD1 3.33Å; T228-L230 VanDerWaalsContact OG1-CG 3.28Å; T228-L230 WeakPolarHBondContact OG1-CG 3.02Å; T228-L230 PolarHBondContact OG1-N 2.84Å; L230-V234 HydrophobicContact CB-CB 4.44Å; L230-V234 HydrophobicContact CB-CG1 4.36Å; L230-V234 HydrophobicContact CD1-CG1 4.21Å; L230-V234 HydrophobicContact CD2-CG1 4.37Å; L230-I235 HydrophobicContact CB-CD1 4.17Å; L230-I235 HydrophobicContact CB-CG1 3.9Å; L230-I235 HydrophobicContact CD1-CG1 4.23Å
231S92.4Very high92.3Very high61 Ų6167.5 Ų67.543%0.42735%0.347SS..  trans-62.6146.6175.472.40000111.8R233 V234 I235S231-R233 PolarHBondContact O-N 3.4Å; S231-V234 PolarHBondContact O-N 3.29Å; S231-V234 WeakPolarHBondContact OG-CG2 3.32Å; S231-V234 PolarHBondContact OG-N 2.87Å; S231-I235 PolarHBondContact O-N 3.38Å
232P91.6Very high92.4Very high77 Ų7767.3 Ų67.350%0.535%0.347SS..Hα-helixtrans-53.8-27.2176.1-23.127.2000113.4V225 R236V225-P232 HydrophobicContact CG2-CB 4.13Å; V225-P232 HydrophobicContact CG2-CG 3.86Å; P232-R236 WeakPolarHBondContact O-CB 3.44Å; P232-R236 WeakPolarHBondContact O-CG 3.21Å; P232-R236 PolarHBondContact O-N 3.5Å; P232-R236 PolarHBondContact O-NE 3.04Å
233R91.1Very high92.6Very high139 Ų13965.4 Ų65.453%0.52533%0.334SS..Hα-helixtrans-68.8-45.4175.1-177.767.4179.4117.92.5111.7S231 R236 V237S231-R233 PolarHBondContact O-N 3.4Å; R233-R236 PolarHBondContact O-N 2.92Å; R233-V237 VanDerWaalsContact CZ-CG2 3.49Å; R233-V237 VanDerWaalsContact O-CG2 3.28Å; R233-V237 WeakPolarHBondContact O-CG2 3.3Å; R233-V237 PolarHBondContact O-N 3.31Å
234V91.1Very high92.7Very high48 Ų4865.1 Ų65.129%0.29134%0.341SS..Hα-helixtrans-62.7-44.8179.9170.20000110.5L230 S231 V237 W238L230-V234 HydrophobicContact CB-CB 4.44Å; L230-V234 HydrophobicContact CB-CG1 4.36Å; L230-V234 HydrophobicContact CD1-CG1 4.21Å; L230-V234 HydrophobicContact CD2-CG1 4.37Å; S231-V234 PolarHBondContact O-N 3.29Å; S231-V234 WeakPolarHBondContact OG-CG2 3.32Å; S231-V234 PolarHBondContact OG-N 2.87Å; V234-V237 PolarHBondContact O-N 3.05Å; V234-W238 WeakPolarHBondContact O-CB 3.47Å; V234-W238 PolarHBondContact O-N 3.32Å
235I92.4Very high92.6Very high1 Ų172.2 Ų72.21%0.00537%0.372CS..Hα-helixtrans-62.5-47.2178.3-58.8-172.6000110.6L206 L224 V225 L230 S231 V237 W238 F239L206-I235 HydrophobicContact CD2-CG2 4.23Å; L224-I235 VanDerWaalsContact C-CD1 3.44Å; L224-I235 HydrophobicContact CB-CD1 3.76Å; L224-I235 HydrophobicContact CB-CG2 4.37Å; L224-I235 HydrophobicContact CD1-CG2 4.21Å; V225-I235 HydrophobicContact CB-CD1 4.22Å; V225-I235 HydrophobicContact CG2-CD1 3.61Å; V225-I235 VanDerWaalsContact N-CD1 3.35Å; L230-I235 HydrophobicContact CB-CD1 4.17Å; L230-I235 HydrophobicContact CB-CG1 3.9Å; L230-I235 HydrophobicContact CD1-CG1 4.23Å; S231-I235 PolarHBondContact O-N 3.38Å; I235-V237 PolarHBondContact O-N 2.9Å; I235-W238 PolarHBondContact O-N 3.29Å; I235-F239 HydrophobicContact CG2-CD2 3.93Å; I235-F239 HydrophobicContact CG2-CE2 3.93Å; I235-F239 WeakPolarHBondContact O-CD2 3.33Å; I235-F239 PolarHBondContact O-N 3.38Å
236R92.3Very high92.5Very high124 Ų12472.6 Ų72.647%0.46837%0.372SS..Hα-helixtrans-57.4-46.2175.2-77.8-172.8-66.9158.2-5.9112.8K221 P232 R233 W238 Q240K221-R236 HydrophobicContact CD-CG 4.18Å; P232-R236 WeakPolarHBondContact O-CB 3.44Å; P232-R236 WeakPolarHBondContact O-CG 3.21Å; P232-R236 PolarHBondContact O-N 3.5Å; P232-R236 PolarHBondContact O-NE 3.04Å; R233-R236 PolarHBondContact O-N 2.92Å; R236-W238 VanDerWaalsContact C-N 3.34Å; R236-Q240 VanDerWaalsContact O-CG 3.32Å; R236-Q240 WeakPolarHBondContact O-CG 3.41Å; R236-Q240 PolarHBondContact O-N 2.96Å
237V93.2Very high92.4Very high41 Ų4172.8 Ų72.825%0.24837%0.371CS..Hα-helixtrans-64.2-41.1178.3172.20000111R233 V234 I235 Q240 N241R233-V237 VanDerWaalsContact CZ-CG2 3.49Å; R233-V237 VanDerWaalsContact O-CG2 3.28Å; R233-V237 WeakPolarHBondContact O-CG2 3.3Å; R233-V237 PolarHBondContact O-N 3.31Å; V234-V237 PolarHBondContact O-N 3.05Å; I235-V237 PolarHBondContact O-N 2.9Å; V237-Q240 PolarHBondContact O-N 3.48Å; V237-N241 WeakPolarHBondContact CG1-ND2 3.38Å; V237-N241 WeakPolarHBondContact O-CB 3.49Å; V237-N241 VanDerWaalsContact O-CG 3.24Å; V237-N241 PolarHBondContact O-N 3.28Å
238W94.3Very high92.4Very high43 Ų4375 Ų7516%0.16338%0.377CS..Hα-helixtrans-61-48.9-179.9-173.5100.1000111.1L203 L206 R207 Y210 V234 I235 R236 Q240 N241 K242L203-W238 HydrophobicContact CD1-CZ2 4.03Å; L206-W238 VanDerWaalsContact C-CH2 3.44Å; L206-W238 HydrophobicContact CB-CD2 3.98Å; L206-W238 HydrophobicContact CB-CE3 3.96Å; L206-W238 HydrophobicContact CB-CH2 3.65Å; L206-W238 HydrophobicContact CB-CZ2 3.63Å; L206-W238 HydrophobicContact CB-CZ3 3.82Å; L206-W238 HydrophobicContact CD1-CB 4.35Å; L206-W238 HydrophobicContact CD1-CD2 3.73Å; L206-W238 HydrophobicContact CD1-CE3 4.29Å; L206-W238 HydrophobicContact CD1-CG 3.72Å; L206-W238 HydrophobicContact CD2-CE3 4.47Å; L206-W238 HydrophobicContact CG-CD2 4.36Å; L206-W238 HydrophobicContact CG-CE3 4.49Å; L206-W238 VanDerWaalsContact O-CH2 3.27Å; L206-W238 WeakPolarHBondContact O-CH2 3.48Å; L206-W238 WeakPolarHBondContact O-CZ3 3.27Å; R207-W238 HydrophobicContact CG-CH2 4.47Å; R207-W238 HydrophobicContact CG-CZ2 4.19Å; Y210-W238 HydrophobicContact CD2-CZ3 4.25Å; Y210-W238 HydrophobicContact CG-CH2 4.46Å; Y210-W238 HydrophobicContact CG-CZ3 4.35Å; V234-W238 WeakPolarHBondContact O-CB 3.47Å; V234-W238 PolarHBondContact O-N 3.32Å; I235-W238 PolarHBondContact O-N 3.29Å; R236-W238 VanDerWaalsContact C-N 3.34Å; W238-Q240 PolarHBondContact O-N 2.99Å; W238-N241 PolarHBondContact O-N 3.45Å; W238-K242 HydrophobicContact CE3-CB 4.29Å; W238-K242 HydrophobicContact CH2-CB 4.39Å; W238-K242 HydrophobicContact CH2-CD 4.5Å; W238-K242 HydrophobicContact CH2-CG 4.05Å; W238-K242 HydrophobicContact CZ3-CB 4.16Å; W238-K242 HydrophobicContact CZ3-CG 4.14Å; W238-K242 WeakPolarHBondContact O-CB 3.32Å; W238-K242 PolarHBondContact O-N 2.98Å
239F95.3Very high92.4Very high5 Ų581.8 Ų81.82%0.02241%0.406CS..Hα-helixtrans-66.3-34.5177.5-84.1-90.8000112.6L206 C209 Y210 P216 L224 I235 R243L206-F239 HydrophobicContact CD2-CE2 3.86Å; C209-F239 HydrophobicContact CB-CZ 4.28Å; Y210-F239 AromaticContact CD2-CD1 3.71Å; Y210-F239 HydrophobicContact CD2-CD1 3.71Å; Y210-F239 AromaticContact CD2-CE1 3.81Å; Y210-F239 HydrophobicContact CD2-CE1 3.81Å; Y210-F239 HydrophobicContact CE2-CD1 4.45Å; Y210-F239 HydrophobicContact CG-CE1 4.41Å; P216-F239 HydrophobicContact CG-CD1 3.81Å; P216-F239 HydrophobicContact CG-CD2 4.32Å; P216-F239 HydrophobicContact CG-CE1 3.62Å; P216-F239 HydrophobicContact CG-CE2 4.15Å; P216-F239 HydrophobicContact CG-CG 4.19Å; P216-F239 HydrophobicContact CG-CZ 3.81Å; L224-F239 HydrophobicContact CD1-CE2 3.72Å; L224-F239 HydrophobicContact CD1-CZ 3.92Å; I235-F239 HydrophobicContact CG2-CD2 3.93Å; I235-F239 HydrophobicContact CG2-CE2 3.93Å; I235-F239 WeakPolarHBondContact O-CD2 3.33Å; I235-F239 PolarHBondContact O-N 3.38Å; F239-R243 WeakPolarHBondContact O-CB 3.32Å; F239-R243 VanDerWaalsContact O-CG 3.3Å; F239-R243 WeakPolarHBondContact O-CG 3.37Å; F239-R243 PolarHBondContact O-N 3.35Å; F239-R243 VanDerWaalsContact O-N 3.1Å; F239-R243 PolarHBondContact O-NE 3.26Å
240Q92.4Very high92.2Very high89 Ų8981.4 Ų81.442%0.41639%0.392SS..Hα-helixtrans-63.8-51.2172.5-76.4172.8-3.600111.2R236 V237 W238 K242 R243 C244R236-Q240 VanDerWaalsContact O-CG 3.32Å; R236-Q240 WeakPolarHBondContact O-CG 3.41Å; R236-Q240 PolarHBondContact O-N 2.96Å; V237-Q240 PolarHBondContact O-N 3.48Å; W238-Q240 PolarHBondContact O-N 2.99Å; Q240-K242 VanDerWaalsContact C-N 3.33Å; Q240-K242 PolarHBondContact O-N 2.86Å; Q240-R243 PolarHBondContact O-N 2.88Å; Q240-C244 PolarHBondContact O-N 3.46Å; Q240-C244 PolarHBondContact O-SG 3.16Å; Q240-C244 VanDerWaalsContact O-SG 3.33Å
241N94.6Very high91.9Very high92 Ų9285.2 Ų85.249%0.49241%0.412SS..Hα-helixtrans-62.5-40.6179.8-72.8-9.6000111.8V237 W238 C244 K245V237-N241 WeakPolarHBondContact CG1-ND2 3.38Å; V237-N241 WeakPolarHBondContact O-CB 3.49Å; V237-N241 VanDerWaalsContact O-CG 3.24Å; V237-N241 PolarHBondContact O-N 3.28Å; W238-N241 PolarHBondContact O-N 3.45Å; N241-C244 PolarHBondContact O-N 2.93Å; N241-K245 WeakPolarHBondContact O-CB 3.41Å; N241-K245 PolarHBondContact O-N 2.83Å
242K93.4Very high91.7Very high59 Ų5987.6 Ų87.626%0.25742%0.419SS..Hα-helixtrans-62.7-46.9177.7-178.558.61761360111.5Y210 W238 Q240 K245 D246Y210-K242 HydrophobicContact CD1-CG 3.96Å; Y210-K242 HydrophobicContact CD2-CB 4.36Å; Y210-K242 HydrophobicContact CD2-CG 3.64Å; Y210-K242 HydrophobicContact CE1-CD 4.35Å; Y210-K242 HydrophobicContact CE1-CG 3.83Å; Y210-K242 HydrophobicContact CE2-CB 4.15Å; Y210-K242 HydrophobicContact CE2-CG 3.51Å; Y210-K242 HydrophobicContact CG-CG 3.86Å; W238-K242 HydrophobicContact CE3-CB 4.29Å; W238-K242 HydrophobicContact CH2-CB 4.39Å; W238-K242 HydrophobicContact CH2-CD 4.5Å; W238-K242 HydrophobicContact CH2-CG 4.05Å; W238-K242 HydrophobicContact CZ3-CB 4.16Å; W238-K242 HydrophobicContact CZ3-CG 4.14Å; W238-K242 WeakPolarHBondContact O-CB 3.32Å; W238-K242 PolarHBondContact O-N 2.98Å; Q240-K242 VanDerWaalsContact C-N 3.33Å; Q240-K242 PolarHBondContact O-N 2.86Å; K242-K245 PolarHBondContact O-N 3.47Å; K242-D246 IonicContact NZ-OD1 2.83Å; K242-D246 PolarHBondContact NZ-OD1 3.11Å; K242-D246 IonicContact NZ-OD2 3.16Å; K242-D246 PolarHBondContact NZ-OD2 3.31Å; K242-D246 VanDerWaalsContact NZ-OD2 3.16Å; K242-D246 PolarHBondContact O-N 3.28Å
243R94.8Very high91.4Very high92 Ų9290.2 Ų90.235%0.34743%0.426SS..Hα-helixtrans-62.5-43174.6-72.6-175.1-67.7135.2-5.5112.7Y210 P214 F239 Q240 K245 D246 K247Y210-R243 HydrophobicContact CE2-CG 3.79Å; P214-R243 WeakPolarHBondContact O-CD 3.36Å; F239-R243 WeakPolarHBondContact O-CB 3.32Å; F239-R243 VanDerWaalsContact O-CG 3.3Å; F239-R243 WeakPolarHBondContact O-CG 3.37Å; F239-R243 PolarHBondContact O-N 3.35Å; F239-R243 VanDerWaalsContact O-N 3.1Å; F239-R243 PolarHBondContact O-NE 3.26Å; Q240-R243 PolarHBondContact O-N 2.88Å; R243-K245 VanDerWaalsContact C-N 3.33Å; R243-K245 PolarHBondContact O-N 2.94Å; R243-D246 PolarHBondContact O-N 3Å; R243-K247 WeakPolarHBondContact O-CB 3.28Å; R243-K247 PolarHBondContact O-N 3.21Å
244C93.4Very high91.1Very high86 Ų8690.5 Ų90.558%0.58143%0.431SS*.Hα-helixtrans-61.6-41.7176-71.70000111.8Q240 N241 K247 K248Q240-C244 PolarHBondContact O-N 3.46Å; Q240-C244 PolarHBondContact O-SG 3.16Å; Q240-C244 VanDerWaalsContact O-SG 3.33Å; N241-C244 PolarHBondContact O-N 2.93Å; C244-K247 PolarHBondContact O-N 2.67Å; C244-K248 PolarHBondContact O-N 3.27Å
245K91.9Very high90.8Very high154 Ų15494.2 Ų94.267%0.6745%0.446SS*.Hα-helixtrans-63.7-44.5177-172.2175.1-179.2178.40111.7N241 K242 R243 K248 K249N241-K245 WeakPolarHBondContact O-CB 3.41Å; N241-K245 PolarHBondContact O-N 2.83Å; K242-K245 PolarHBondContact O-N 3.47Å; R243-K245 VanDerWaalsContact C-N 3.33Å; R243-K245 PolarHBondContact O-N 2.94Å; K245-K248 PolarHBondContact O-N 3.41Å; K245-K249 PolarHBondContact O-N 2.93Å
246D90.8Very high90.1Very high47 Ų4799 Ų9925%0.25147%0.471SS..Hα-helixtrans-68.1-37.4179.3-68.7-4.6000111.6Y210 K242 R243 K249 S250Y210-D246 WeakPolarHBondContact CE1-OD2 3.28Å; Y210-D246 PolarHBondContact OH-OD2 3.1Å; K242-D246 IonicContact NZ-OD1 2.83Å; K242-D246 PolarHBondContact NZ-OD1 3.11Å; K242-D246 IonicContact NZ-OD2 3.16Å; K242-D246 PolarHBondContact NZ-OD2 3.31Å; K242-D246 VanDerWaalsContact NZ-OD2 3.16Å; K242-D246 PolarHBondContact O-N 3.28Å; R243-D246 PolarHBondContact O-N 3Å; D246-K249 PolarHBondContact O-N 3.11Å; D246-S250 WeakPolarHBondContact O-CB 3.34Å; D246-S250 PolarHBondContact O-N 3.35Å
247K91.5Very high89.4Confident151 Ų15199.4 Ų99.466%0.65748%0.478SS*.Hα-helixtrans-60.3-45.5171.3-172.3177.2-179.2-178.70111.7R243 C244 S250 I251R243-K247 WeakPolarHBondContact O-CB 3.28Å; R243-K247 PolarHBondContact O-N 3.21Å; C244-K247 PolarHBondContact O-N 2.67Å; K247-S250 PolarHBondContact O-N 3.33Å; K247-I251 HydrophobicContact CG-CD1 4.24Å; K247-I251 WeakPolarHBondContact O-CG1 3.44Å; K247-I251 PolarHBondContact O-N 3.4Å
248K90.3Very high88.2Confident165 Ų165104.7 Ų104.772%0.71750%0.5SS*.Hα-helixtrans-62.1-42.7176.3-172.3176.3179.81780111.7C244 K245 S250 I251 L252C244-K248 PolarHBondContact O-N 3.27Å; K245-K248 PolarHBondContact O-N 3.41Å; K248-S250 VanDerWaalsContact C-N 3.35Å; K248-S250 PolarHBondContact O-N 3.33Å; K248-I251 PolarHBondContact O-N 3.45Å; K248-L252 PolarHBondContact O-N 3.42Å
249K88.9Confident86.6Confident152 Ų152108.4 Ų108.466%0.66152%0.519SS*.Hα-helixtrans-62.4-41.4176.5-171-179.7178.4-1770111.7K245 D246 L252 M253K245-K249 PolarHBondContact O-N 2.93Å; D246-K249 PolarHBondContact O-N 3.11Å; K249-L252 PolarHBondContact O-N 2.82Å; K249-M253 WeakPolarHBondContact O-CB 3.25Å; K249-M253 PolarHBondContact O-N 3.32Å
250S88.1Confident84.7Confident61 Ų61114.7 Ų114.743%0.42755%0.549SS..Hα-helixtrans-63.9-42.7177.1-178.80000112.4D246 K247 K248 M253 K254D246-S250 WeakPolarHBondContact O-CB 3.34Å; D246-S250 PolarHBondContact O-N 3.35Å; K247-S250 PolarHBondContact O-N 3.33Å; K248-S250 VanDerWaalsContact C-N 3.35Å; K248-S250 PolarHBondContact O-N 3.33Å; S250-M253 PolarHBondContact O-N 3.34Å; S250-K254 WeakPolarHBondContact O-CG 3.27Å; S250-K254 PolarHBondContact O-N 3.48Å
251I85.8Confident82.8Confident102 Ų102118 Ų11852%0.52356%0.564SS.*Hα-helixtrans-62-46175.8-66.4165000110.6K247 K248 M253 K254 Q255K247-I251 HydrophobicContact CG-CD1 4.24Å; K247-I251 WeakPolarHBondContact O-CG1 3.44Å; K247-I251 PolarHBondContact O-N 3.4Å; K248-I251 PolarHBondContact O-N 3.45Å; I251-M253 PolarHBondContact O-N 3.44Å; I251-K254 PolarHBondContact O-N 2.96Å; I251-Q255 PolarHBondContact O-N 3.15Å
252L89.2Confident80.4Confident111 Ų111116.6 Ų116.658%0.58156%0.561SS**Hα-helixtrans-61.8-42.7178.1-17963.7000112.1K248 K249 K254 Q255 L256K248-L252 PolarHBondContact O-N 3.42Å; K249-L252 PolarHBondContact O-N 2.82Å; L252-K254 VanDerWaalsContact C-N 3.34Å; L252-K254 PolarHBondContact O-N 2.83Å; L252-Q255 PolarHBondContact O-N 3.15Å; L252-L256 PolarHBondContact O-N 3.34Å
253M85.1Confident78Confident132 Ų132119.6 Ų119.665%0.6558%0.58SS**Hα-helixtrans-63.9-39.1178.1-168.1177.6-177.700111.8K249 S250 I251 L256 Q257K249-M253 WeakPolarHBondContact O-CB 3.25Å; K249-M253 PolarHBondContact O-N 3.32Å; S250-M253 PolarHBondContact O-N 3.34Å; I251-M253 PolarHBondContact O-N 3.44Å; M253-L256 PolarHBondContact O-N 3.1Å; M253-Q257 PolarHBondContact O-N 2.96Å; M253-Q257 VanDerWaalsContact O-N 3.09Å
254K85.3Confident75.7Confident145 Ų145124.3 Ų124.363%0.6360%0.603SS**Hα-helixtrans-64.8-39.5173-75.2-176.5177.6-173.50112.4S250 I251 L252 Q257 Q258S250-K254 WeakPolarHBondContact O-CG 3.27Å; S250-K254 PolarHBondContact O-N 3.48Å; I251-K254 PolarHBondContact O-N 2.96Å; L252-K254 VanDerWaalsContact C-N 3.34Å; L252-K254 PolarHBondContact O-N 2.83Å; K254-Q257 PolarHBondContact O-N 3.05Å; K254-Q258 PolarHBondContact O-N 2.94Å
255Q83.4Confident73.3Confident127 Ų127126.2 Ų126.259%0.59361%0.612SS**Hα-helixtrans-64.2-42.3177.1-169.5174.521.400111.8I251 L252 Q258 Q259I251-Q255 PolarHBondContact O-N 3.15Å; L252-Q255 PolarHBondContact O-N 3.15Å; Q255-Q258 PolarHBondContact O-N 3.12Å; Q255-Q259 PolarHBondContact O-N 3.16Å; Q255-Q259 VanDerWaalsContact O-N 3.11Å
256L79Confident70.8Confident101 Ų101122.7 Ų122.753%0.52961%0.607SS.*Hα-helixtrans-65.6-38.7177.1-17263.7000112.1L252 M253 Q258 Q259 Q260L252-L256 PolarHBondContact O-N 3.34Å; M253-L256 PolarHBondContact O-N 3.1Å; L256-Q258 VanDerWaalsContact C-N 3.35Å; L256-Q259 WeakPolarHBondContact O-CB 3.44Å; L256-Q259 PolarHBondContact O-N 2.84Å; L256-Q260 PolarHBondContact O-N 3.19Å
257Q76.8Confident68.5Low133 Ų133129 Ų12962%0.62164%0.64SS**Hα-helixtrans-70-32177.5-166.7161.926.800112.5M253 K254 Q259 H261M253-Q257 PolarHBondContact O-N 2.96Å; M253-Q257 VanDerWaalsContact O-N 3.09Å; K254-Q257 PolarHBondContact O-N 3.05Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q257-H261 PolarHBondContact O-N 3.18Å
258Q67.4Low66Low152 Ų152129.8 Ų129.871%0.7165%0.645SS**Hα-helixtrans-71.1-30.2173.6-164.8163.23300112.2K254 Q255 L256 H261 S262K254-Q258 PolarHBondContact O-N 2.94Å; Q255-Q258 PolarHBondContact O-N 3.12Å; L256-Q258 VanDerWaalsContact C-N 3.35Å; Q258-H261 PolarHBondContact O-N 2.84Å; Q258-S262 PolarHBondContact O-N 3.3Å
259Q60.9Low64Low121 Ų121125 Ų12557%0.56564%0.643SS**Hα-helixtrans-65.2-44.1174.8-147.2165.820.200111.4Q255 L256 Q257 H261 S262 D263Q255-Q259 PolarHBondContact O-N 3.16Å; Q255-Q259 VanDerWaalsContact O-N 3.11Å; L256-Q259 WeakPolarHBondContact O-CB 3.44Å; L256-Q259 PolarHBondContact O-N 2.84Å; Q257-Q259 VanDerWaalsContact C-N 3.33Å; Q259-H261 VanDerWaalsContact C-N 3.27Å; Q259-H261 PolarHBondContact O-N 3.19Å; Q259-S262 WeakPolarHBondContact O-CB 2.98Å; Q259-S262 PolarHBondContact O-N 3.35Å; Q259-S262 VanDerWaalsContact O-N 3.1Å; Q259-D263 PolarHBondContact O-N 3.07Å
260Q55.6Low62Low137 Ų137124.7 Ų124.764%0.6465%0.648SS**Hα-helixtrans-64.1-27.1177-71.1-175.4-3.800114.2L256L256-Q260 PolarHBondContact O-N 3.19Å
261H53.6Low60.3Low159 Ų159126.9 Ų126.974%0.73666%0.659SS**Hα-helixtrans-83.2-19.5176.9-142.6-76.8000112.8Q257 Q258 Q259Q257-H261 PolarHBondContact O-N 3.18Å; Q258-H261 PolarHBondContact O-N 2.84Å; Q259-H261 VanDerWaalsContact C-N 3.27Å; Q259-H261 PolarHBondContact O-N 3.19Å
262S42.7Very low59.1Low61 Ų61122.7 Ų122.743%0.42764%0.641SS.*Hα-helixtrans-77.1-25.1173.5-178.60000112.6Q258 Q259 K264 T265Q258-S262 PolarHBondContact O-N 3.3Å; Q259-S262 WeakPolarHBondContact O-CB 2.98Å; Q259-S262 PolarHBondContact O-N 3.35Å; Q259-S262 VanDerWaalsContact O-N 3.1Å; S262-K264 PolarHBondContact O-N 3.22Å; S262-T265 PolarHBondContact O-N 3.06Å
263D44Very low58.2Low123 Ų123121.4 Ų121.466%0.65864%0.638SS**THydrogen-bonded Turntrans-72.8-7.4-176.4-67.4-36.3000113.7Q259Q259-D263 PolarHBondContact O-N 3.07Å
264K45.4Very low57.8Low191 Ų191119.6 Ų119.683%0.8364%0.636SS**THydrogen-bonded Turntrans-93.1-6.8173.2-74.7-172.3169.9-177.60114.7S262S262-K264 PolarHBondContact O-N 3.22Å
265T43.9Very low57.9Low125 Ų125114.7 Ų114.777%0.76762%0.616SS**SBendtrans-130.713.2-177.254.80000115.2S262S262-T265 PolarHBondContact O-N 3.06Å
266S38.7Very low58.2Low81 Ų81113.2 Ų113.257%0.56662%0.616SS**  trans-13576.9178.2-158.30000113.5Q268S266-Q268 VanDerWaalsContact C-N 3.25Å; S266-Q268 PolarHBondContact O-N 2.83Å
267L43.5Very low58.4Low180 Ų180108.6 Ų108.694%0.94259%0.592SS**  trans-80.380.8147.7-91.8165.6000107.8
268Q39.3Very low58.8Low166 Ų166104.3 Ų104.378%0.77658%0.583SS**  trans-135.195.3155.3-91.9179.1-4.100107.6S266S266-Q268 VanDerWaalsContact C-N 3.25Å; S266-Q268 PolarHBondContact O-N 2.83Å
269G46.8Very low59.8Low65 Ų65101.2 Ų101.267%0.6758%0.579SS**  trans-59.4162.1162.200000110.2
270L46.8Very low61.1Low145 Ų14597.6 Ų97.676%0.75957%0.566SS**  trans110.9-5.2170-53.1178000117.9R133R133-L270 PolarHBondContact NH2-O 3.39Å
271T53.8Low62.6Low107 Ų10794.8 Ų94.866%0.65655%0.554SS**  trans-119.395.9173.759.60000112.1T273T271-T273 PolarHBondContact O-N 3.3Å
272G60Low64Low14 Ų1496.2 Ų96.214%0.14455%0.553CS.*PPolyproline II helixtrans-59.7119.6167.500000109.6
273T70.6Confident65.8Low84 Ų8493.7 Ų93.752%0.51553%0.534SS..PPolyproline II helixtrans-62.1129.6179.9-290000109.4R106 T271 L275R106-T273 PolarHBondContact NH2-OG1 3.23Å; T271-T273 PolarHBondContact O-N 3.3Å; T273-L275 PolarHBondContact O-N 2.97Å
274P75.4Confident66.7Low94 Ų9495.5 Ų95.561%0.6154%0.539SS*.EExtended strand (participates in β ladder)trans-64.2132.9177.125.8-32.9000110.3
275L88.8Confident67.3Low43 Ų4388.9 Ų88.923%0.22551%0.513CS..EExtended strand (participates in β ladder)trans-117.2158.5178.7-62.6174.2000109.3R106 E129 F130 L132 T273R106-L275 HydrophobicContact CG-CD1 3.98Å; E129-L275 WeakPolarHBondContact CA-O 3.17Å; F130-L275 HydrophobicContact CD1-CB 4.14Å; F130-L275 WeakPolarHBondContact CD1-O 3.39Å; F130-L275 HydrophobicContact CE1-CB 3.6Å; F130-L275 HydrophobicContact CE2-CB 4.1Å; F130-L275 HydrophobicContact CE2-CD1 3.94Å; F130-L275 HydrophobicContact CZ-CB 3.57Å; F130-L275 HydrophobicContact CZ-CD1 3.81Å; F130-L275 HydrophobicContact CZ-CG 4.35Å; F130-L275 PolarHBondContact N-O 3.21Å; F130-L275 PolarHBondContact O-N 2.86Å; F130-L275 VanDerWaalsContact O-O 3.06Å; L132-L275 HydrophobicContact CB-CD1 4.08Å; T273-L275 PolarHBondContact O-N 2.97Å
276V88.1Confident67.5Low96 Ų9686.7 Ų86.758%0.58251%0.507SS*.EExtended strand (participates in β ladder)trans-112.2130.9172.4-1780000108.1D128 E129 G278D128-V276 WeakPolarHBondContact O-CA 3.12Å; E129-V276 HydrophobicContact CG-CG2 4.28Å; V276-G278 PolarHBondContact O-N 2.59Å
277A83.8Confident68.1Low4 Ų484.7 Ų84.73%0.03349%0.492CS..PPolyproline II helixtrans-63.6122.5179.100000109.9M103 F115 L125 P126 G127 D128 F130M103-A277 HydrophobicContact CE-CB 4.14Å; F115-A277 HydrophobicContact CE1-CB 3.96Å; L125-A277 VanDerWaalsContact O-CB 3.22Å; L125-A277 WeakPolarHBondContact O-CB 3.45Å; P126-A277 CarbonylContact C-O 3.41Å; P126-A277 WeakPolarHBondContact CA-O 3.49Å; G127-A277 PolarHBondContact N-O 2.96Å; D128-A277 PolarHBondContact O-N 3.43Å; F130-A277 HydrophobicContact CD1-CB 4.17Å; F130-A277 HydrophobicContact CE1-CB 4.11Å
278G85.8Confident68.1Low42 Ų4284.6 Ų84.643%0.43349%0.486SS..PPolyproline II helixtrans-76.9167172.900000111.8M103 V276M103-G278 VanDerWaalsContact CE-O 3.28Å; M103-G278 WeakPolarHBondContact CE-O 3.21Å; V276-G278 PolarHBondContact O-N 2.59Å
279S87.8Confident68.6Low88 Ų8878.2 Ų78.262%0.61547%0.465SS*.PPolyproline II helixtrans-63.3147.7170.3-57.40000111.1I281S279-I281 PolarHBondContact O-N 2.97Å
280P88.6Confident68.6Low45 Ų4579.6 Ų79.629%0.29246%0.464SS..PPolyproline II helixtrans-57.7135.6173.3-18.429.1000110.1L101 V102 M103 I112L101-P280 HydrophobicContact CB-CB 3.97Å; V102-P280 WeakPolarHBondContact O-CA 3.35Å; M103-P280 HydrophobicContact SD-CB 4.13Å; M103-P280 HydrophobicContact SD-CG 3.77Å; I112-P280 HydrophobicContact CD1-CB 3.81Å; I112-P280 HydrophobicContact CD1-CG 3.96Å; I112-P280 HydrophobicContact CG1-CB 4.13Å; I112-P280 HydrophobicContact CG1-CG 4.22Å
281I87.7Confident68.8Low78 Ų7875.6 Ų75.640%0.445%0.452SS..EExtended strand (participates in β ladder)trans-112.6153.9177.260170.3000109.5L101 V102 R104 S279 H283L101-I281 WeakPolarHBondContact CA-O 3.14Å; V102-I281 HydrophobicContact CG2-CG1 4.12Å; V102-I281 PolarHBondContact N-O 3.31Å; V102-I281 PolarHBondContact O-N 3.27Å; R104-I281 HydrophobicContact CG-CD1 4.05Å; S279-I281 PolarHBondContact O-N 2.97Å; I281-H283 PolarHBondContact O-N 3.35Å
282R83.6Confident69.4Low189 Ų18970.9 Ų70.971%0.71342%0.423SS*.EExtended strand (participates in β ladder)trans-61.7131.9169.5-85.1-166.8155.1133.30.4109.6L101 E284L101-R282 HydrophobicContact CD2-CB 4.39Å; L101-R282 HydrophobicContact CD2-CG 3.64Å; R282-E284 PolarHBondContact O-N 3.4Å
283H79.5Confident69.7Low7 Ų777.1 Ų77.13%0.03245%0.448CS..  trans-73.187165.4-170-103.2000108.1F96 D100 V102 I281 N285F96-H283 HydrophobicContact CB-CB 4.44Å; D100-H283 PolarHBondContact O-N 3.17Å; V102-H283 HydrophobicContact CG1-CB 3.83Å; V102-H283 HydrophobicContact CG2-CB 3.96Å; I281-H283 PolarHBondContact O-N 3.35Å; H283-N285 PolarHBondContact CE1-OD1 3.08Å; H283-N285 PolarHBondContact ND1-OD1 3.49Å; H283-N285 PolarHBondContact O-N 2.92Å; H283-N285 VanDerWaalsContact O-N 3.15Å
284E63.1Low69.4Low161 Ų16173.3 Ų73.375%0.75243%0.425SS*.  trans-64.9115.2158.3-75-147.7113.200106.4R282 A286R282-E284 PolarHBondContact O-N 3.4Å; E284-A286 PolarHBondContact O-N 2.79Å
285N57.3Low68.4Low53 Ų5374.8 Ų74.828%0.28342%0.424SS..  trans-61.569.7162.9-84.54.3000107.7H283 V287H283-N285 PolarHBondContact CE1-OD1 3.08Å; H283-N285 PolarHBondContact ND1-OD1 3.49Å; H283-N285 PolarHBondContact O-N 2.92Å; H283-N285 VanDerWaalsContact O-N 3.15Å; N285-V287 HydrophobicContact CB-CG2 4.2Å; N285-V287 PolarHBondContact O-N 2.66Å
286A48.8Very low66.8Low79 Ų7975.4 Ų75.465%0.65343%0.429SS*.  trans-70.473159.100000105.3E284 Q288E284-A286 PolarHBondContact O-N 2.79Å; A286-Q288 PolarHBondContact O-N 3.47Å; A286-Q288 VanDerWaalsContact O-N 3.15Å
287V50.5Low64.6Low39 Ų3978 Ų7824%0.23643%0.43CS..  trans-53.2121.3171.5169.10000105.7F69 Y81 N285 G289F69-V287 HydrophobicContact CD1-CG1 3.73Å; F69-V287 HydrophobicContact CE1-CB 4Å; F69-V287 HydrophobicContact CE1-CG1 3.57Å; F69-V287 HydrophobicContact CE1-CG2 4.12Å; F69-V287 HydrophobicContact CZ-CG2 4.38Å; Y81-V287 HydrophobicContact CD1-CG1 3.94Å; Y81-V287 HydrophobicContact CE1-CB 4.37Å; Y81-V287 HydrophobicContact CE1-CG1 3.17Å; Y81-V287 HydrophobicContact CE1-CG2 4.39Å; N285-V287 HydrophobicContact CB-CG2 4.2Å; N285-V287 PolarHBondContact O-N 2.66Å; V287-G289 WeakPolarHBondContact CG1-O 3.28Å; V287-G289 PolarHBondContact O-N 3.02Å
288Q44.2Very low62.5Low178 Ų17882.3 Ų82.383%0.83245%0.449SS*.SBendtrans-70.374.8165.2-74.5-176.6-18.600107.6Y81 A286Y81-Q288 PolarHBondContact OH-O 2.97Å; Y81-Q288 VanDerWaalsContact OH-O 3.13Å; A286-Q288 PolarHBondContact O-N 3.47Å; A286-Q288 VanDerWaalsContact O-N 3.15Å
289G49.8Very low60.5Low31 Ų3181.4 Ų81.432%0.3244%0.436SS..SBendtrans173.1124.7-174.600000107.2V287 A291V287-G289 WeakPolarHBondContact CG1-O 3.28Å; V287-G289 PolarHBondContact O-N 3.02Å; G289-A291 PolarHBondContact O-N 3.4Å; G289-A291 VanDerWaalsContact O-N 3.12Å
290S47.7Very low58.5Low94 Ų9481.3 Ų81.366%0.65743%0.433SS*.  trans-59.2120.4174.3-162.80000107.3V292S290-V292 WeakPolarHBondContact O-CG2 3.46Å; S290-V292 PolarHBondContact O-N 3.05Å
291A50.8Low56.7Low61 Ų6185.9 Ų85.950%0.50445%0.445SS..  trans-64.2119.1163.700000105.6F69 G289F69-A291 HydrophobicContact CE1-CB 3.8Å; F69-A291 HydrophobicContact CZ-CB 3.93Å; G289-A291 PolarHBondContact O-N 3.4Å; G289-A291 VanDerWaalsContact O-N 3.12Å
292V65Low54.8Low9 Ų985 Ų856%0.05544%0.438CS..BIsolated β-bridgetrans-104.2127.4-174.6-176.70000109.4V42 S43 C68 S290V42-V292 HydrophobicContact CB-CG1 4.07Å; V42-V292 HydrophobicContact CG1-CB 3.78Å; V42-V292 HydrophobicContact CG1-CG1 3.34Å; V42-V292 HydrophobicContact CG1-CG2 4.23Å; S43-V292 WeakPolarHBondContact O-CG2 3.32Å; C68-V292 PolarHBondContact N-O 3.06Å; C68-V292 PolarHBondContact O-N 3.24Å; S290-V292 WeakPolarHBondContact O-CG2 3.46Å; S290-V292 PolarHBondContact O-N 3.05Å
293E67.9Low53.4Low144 Ų14479 Ų7967%0.67343%0.428SS*.  trans-78132.5172.4-167.3171.4-170.500109.3
294V64Low51.9Low4 Ų484.6 Ų84.62%0.02446%0.458CS..EExtended strand (participates in β ladder)trans-90.3115.4176.7-1770000106.7L40 V42 L53 E64L40-V294 HydrophobicContact CB-CG1 4.07Å; L40-V294 HydrophobicContact CD1-CG1 4.44Å; L40-V294 HydrophobicContact CD2-CG1 3.91Å; L40-V294 HydrophobicContact CG-CG1 4.37Å; V42-V294 HydrophobicContact CG2-CG2 4.34Å; L53-V294 HydrophobicContact CD2-CG1 4.01Å; L53-V294 HydrophobicContact CD2-CG2 4.1Å; E64-V294 WeakPolarHBondContact CG-O 3.4Å
295Q53.8Low51.5Low126 Ų12679.4 Ų79.459%0.58944%0.44SS*.EExtended strand (participates in β ladder)trans-102.9127.5174.1-75.7-178.2-1600110.1R41R41-Q295 PolarHBondContact N-O 3.18Å; R41-Q295 PolarHBondContact O-N 3.4Å
296T54.8Low50.9Low55 Ų5583.1 Ų83.134%0.33746%0.455SS..EExtended strand (participates in β ladder)trans-85.8123.4165.663.30000109.1L40 E64L40-T296 HydrophobicContact CD2-CG2 3.41Å; L40-T296 VanDerWaalsContact CD2-CG2 3.41Å; E64-T296 HydrophobicContact CG-CG2 4.36Å; E64-T296 WeakPolarHBondContact OE1-CB 3.31Å; E64-T296 PolarHBondContact OE1-N 2.91Å; E64-T296 PolarHBondContact OE1-OG1 2.98Å
297Y43.5Very low51.3Low152 Ų15287 Ų8760%0.59646%0.458SS*.PPolyproline II helixtrans-84.6116.8171-170-102000109.1
298Q38.7Very low51.7Low94 Ų9488.1 Ų88.144%0.43947%0.471SS..PPolyproline II helixtrans-76.7127.2165.7-83.3-142.5-1000109.7K302Q298-K302 VanDerWaalsContact CD-CD 3.44Å; Q298-K302 HydrophobicContact CG-CD 4.42Å; Q298-K302 VanDerWaalsContact OE1-CD 3.27Å
299P43Very low52Low23 Ų2386.7 Ų86.715%0.14947%0.468CS..PPolyproline II helixtrans-64.6146.3177.326.5-33.8000110.7W301 K302P299-W301 HydrophobicContact CG-CD2 4.39Å; P299-W301 HydrophobicContact CG-CZ2 3.89Å; P299-W301 PolarHBondContact O-N 3.39Å; P299-K302 PolarHBondContact O-N 3.04Å
300P47.5Very low52Low86 Ų8692.1 Ų92.156%0.55849%0.485SS*.Hα-helixtrans-55.6-23.3-168-27.834.3000115.7K302 A303P300-K302 VanDerWaalsContact C-N 3.29Å; P300-K302 PolarHBondContact O-N 3.1Å; P300-A303 PolarHBondContact O-N 3.06Å
301W49.9Very low51.9Low141 Ų14191.5 Ų91.553%0.53448%0.481SS..Hα-helixtrans-69.6-22.418059.1-99.6000113.5Q37 P299 L304 S305Q37-W301 HydrophobicContact CG-CZ2 4.4Å; Q37-W301 VanDerWaalsContact NE2-CH2 3.26Å; Q37-W301 VanDerWaalsContact NE2-CZ2 3.33Å; P299-W301 HydrophobicContact CG-CD2 4.39Å; P299-W301 HydrophobicContact CG-CZ2 3.89Å; P299-W301 PolarHBondContact O-N 3.39Å; W301-L304 PolarHBondContact O-N 3.34Å; W301-S305 PolarHBondContact O-N 3.09Å; W301-S305 VanDerWaalsContact O-N 3.13Å; W301-S305 PolarHBondContact O-OG 3.48Å
302K48.3Very low51.5Low58 Ų5895.9 Ų95.925%0.25250%0.496SS..Hα-helixtrans-72.9-36.1175.7-86.2-162.1175-169.90113.4Q298 P299 P300 L304 S305 E306Q298-K302 VanDerWaalsContact CD-CD 3.44Å; Q298-K302 HydrophobicContact CG-CD 4.42Å; Q298-K302 VanDerWaalsContact OE1-CD 3.27Å; P299-K302 PolarHBondContact O-N 3.04Å; P300-K302 VanDerWaalsContact C-N 3.29Å; P300-K302 PolarHBondContact O-N 3.1Å; K302-L304 PolarHBondContact O-N 3.02Å; K302-S305 VanDerWaalsContact CA-OG 3.28Å; K302-S305 WeakPolarHBondContact CA-OG 3.39Å; K302-S305 PolarHBondContact O-N 3.29Å; K302-S305 PolarHBondContact O-OG 2.83Å; K302-E306 PolarHBondContact O-N 3.09Å
303A54.6Low50.5Low63 Ų63102.2 Ų102.252%0.52153%0.529SS..Hα-helixtrans-62.6-32.317300000111.8P300 F307P300-A303 PolarHBondContact O-N 3.06Å; A303-F307 WeakPolarHBondContact O-CB 3.47Å; A303-F307 PolarHBondContact O-N 3.4Å
304L47.1Very low48.9Very low126 Ų126102.5 Ų102.566%0.6654%0.535SS*.Hα-helixtrans-74.7-36.1175.5-64.2174.5000112.5W301 K302 A308W301-L304 PolarHBondContact O-N 3.34Å; K302-L304 PolarHBondContact O-N 3.02Å; L304-A308 WeakPolarHBondContact O-CB 3.33Å; L304-A308 PolarHBondContact O-N 3.3Å
305S54.8Low47.5Very low51 Ų51111.5 Ų111.536%0.35758%0.577SS.*Hα-helixtrans-71.2-33.4174.850.30000113.3W301 K302 A308 L309W301-S305 PolarHBondContact O-N 3.09Å; W301-S305 VanDerWaalsContact O-N 3.13Å; W301-S305 PolarHBondContact O-OG 3.48Å; K302-S305 VanDerWaalsContact CA-OG 3.28Å; K302-S305 WeakPolarHBondContact CA-OG 3.39Å; K302-S305 PolarHBondContact O-N 3.29Å; K302-S305 PolarHBondContact O-OG 2.83Å; S305-A308 PolarHBondContact O-N 2.96Å; S305-L309 WeakPolarHBondContact O-CG 3.4Å; S305-L309 PolarHBondContact O-N 3.47Å; S305-L309 VanDerWaalsContact O-N 3.08Å
306E45.3Very low46.6Very low132 Ų132110.5 Ų110.562%0.61758%0.581SS**Hα-helixtrans-70.2-37.5175.4-161.1167.6-160.900111.1K302 L309 Q310K302-E306 PolarHBondContact O-N 3.09Å; E306-L309 PolarHBondContact O-N 3.11Å; E306-Q310 WeakPolarHBondContact O-CB 3.26Å; E306-Q310 PolarHBondContact O-N 3.49Å; E306-Q310 VanDerWaalsContact O-N 3.15Å
307F56.9Low45.9Very low161 Ų161112.8 Ų112.871%0.70661%0.606SS**Hα-helixtrans-65.9-38.9172-156.8-94.4000112.4A303 Q310 S311A303-F307 WeakPolarHBondContact O-CB 3.47Å; A303-F307 PolarHBondContact O-N 3.4Å; F307-Q310 PolarHBondContact O-N 3.25Å; F307-S311 PolarHBondContact O-N 3.02Å; F307-S311 PolarHBondContact O-OG 3.11Å
308A57.9Low45.1Very low62 Ų62114.7 Ų114.751%0.51262%0.617SS.*Hα-helixtrans-67.8-34.5177.900000113.1L304 S305L304-A308 WeakPolarHBondContact O-CB 3.33Å; L304-A308 PolarHBondContact O-N 3.3Å; S305-A308 PolarHBondContact O-N 2.96Å
309L50.3Low45Very low148 Ų148119.2 Ų119.278%0.77564%0.638SS**Hα-helixtrans-80.4-18.8177.2-68.5171000113.2S305 E306S305-L309 WeakPolarHBondContact O-CG 3.4Å; S305-L309 PolarHBondContact O-N 3.47Å; S305-L309 VanDerWaalsContact O-N 3.08Å; E306-L309 PolarHBondContact O-N 3.11Å
310Q50Low44.6Very low145 Ų145125.6 Ų125.668%0.67867%0.666SS**THydrogen-bonded Turntrans-86.4-7.5175.9-154.964.552.900113.4E306 F307E306-Q310 WeakPolarHBondContact O-CB 3.26Å; E306-Q310 PolarHBondContact O-N 3.49Å; E306-Q310 VanDerWaalsContact O-N 3.15Å; F307-Q310 PolarHBondContact O-N 3.25Å
311S46.4Very low43.9Very low80 Ų80128.8 Ų128.856%0.55968%0.678SS**THydrogen-bonded Turntrans-81.3-8.2-174.8-57.40000114.7F307F307-S311 PolarHBondContact O-N 3.02Å; F307-S311 PolarHBondContact O-OG 3.11Å
312D42Very low42.9Very low153 Ų153126.9 Ų126.982%0.81868%0.681SS**THydrogen-bonded Turntrans-98.215.9-171.1-107.3-32.5000114.8
313L43.1Very low42Very low143 Ų143130.2 Ų130.275%0.74971%0.712SS**SBendtrans-131.110.8-170.8-110.1163.2000117.9
314D35.2Very low40.6Very low150 Ų150135.8 Ų135.880%0.80273%0.725SS**  trans-148.597.9171.8-137.6-78.7000113
315Q34.5Very low39.8Very low193 Ų193134.6 Ų134.690%0.90273%0.727SS**  trans-128108.5161.3-158.1-178.859.700108.4
316P35Very low38.6Very low105 Ų105140.8 Ų140.868%0.68275%0.75SS**  trans-82.7140.2176.231.1-30.2000110.8
317A38.9Very low37.9Very low103 Ų103139.8 Ų139.885%0.85176%0.758SS**  trans-62.4128.2175.600000111.8
318F28.6Very low36.5Very low192 Ų192135.6 Ų135.684%0.84276%0.761SS**  trans-121.393.9164.6-155.8-95.5000109.4
319Q36Very low35.2Very low189 Ų189137.8 Ų137.888%0.88377%0.772SS**  trans-103.5110168.6-135.8-178.849.300107.8
320Q33.5Very low34.4Very low157 Ų157138.5 Ų138.573%0.73478%0.776SS**  trans-144.9112.9150.4-80.1-143.7-53.900110.1
321L32.5Very low33.5Very low152 Ų152134.8 Ų134.880%0.79678%0.777SS**  trans11.4124.8132.6-59167.2000113.9
322V30.3Very low32.8Very low101 Ų101138 Ų13861%0.61279%0.787SS**  -169.4134.454.4-115.50000109F324V322-F324 HydrophobicContact CB-CD2 4.47Å; V322-F324 HydrophobicContact CB-CE2 4.12Å; V322-F324 HydrophobicContact CG1-CD2 3.97Å; V322-F324 HydrophobicContact CG1-CE2 3.24Å; V322-F324 HydrophobicContact CG1-CZ 3.74Å
323S28.4Very low32.5Very low129 Ų129135.7 Ų135.790%0.90278%0.783SS**  trans-149.7105150.7-78.50000107.7
324F26.3Very low32.1Very low180 Ų180134.4 Ų134.479%0.78979%0.787SS**  trans-80.1132.6171.1-58.2-93.8000108.5V322V322-F324 HydrophobicContact CB-CD2 4.47Å; V322-F324 HydrophobicContact CB-CE2 4.12Å; V322-F324 HydrophobicContact CG1-CD2 3.97Å; V322-F324 HydrophobicContact CG1-CE2 3.24Å; V322-F324 HydrophobicContact CG1-CZ 3.74Å
325S29.6Very low31.9Very low100 Ų100130.7 Ų130.770%0.69978%0.783SS**  152131.6123.162.80000112.2
326E30Very low32.2Very low181 Ų181126.4 Ų126.485%0.84678%0.775SS**  trans69.3135.1161.3-66-18010400116.5
327S30.1Very low32.2Very low111 Ų111128 Ų12878%0.77678%0.778SS**  cis-169.3137.25.231.10000104.4
328G27.6Very low32Very low74 Ų74128.7 Ų128.776%0.76377%0.771SS**  111.6114.599.500000112.8
329S31Very low32.2Very low108 Ų108126.1 Ų126.176%0.75577%0.771SS**  trans84.9111.2148.5-78.30000123.4
330L32.2Very low32.4Very low162 Ų162122.2 Ų122.285%0.84877%0.765SS**  63115.2122.2-56.2167.9000116.7
331G32.4Very low32.3Very low68 Ų68123 Ų12370%0.70177%0.773SS**  128.7149.460.300000106.3
332N32.3Very low32.5Very low146 Ų146121 Ų12178%0.78177%0.771SS**  cis-157156.712.9-73.4-9.3000108.6
333S34.9Very low32.7Very low105 Ų105121.1 Ų121.173%0.73478%0.777SS**  trans39.4145.8133.871.10000121.1
334S34.3Very low33Very low117 Ų117123.9 Ų123.982%0.81878%0.776SS**  cis-178.91498.3-107.20000108.6
335G31.8Very low33.6Very low71 Ų71123 Ų12373%0.73278%0.778SS**  trans66.3153.9141.900000118.6
336S39.9Very low34.6Very low104 Ų104123.6 Ų123.673%0.72778%0.78SS**  cis172.1143.6-11.6290000105.1
337D35.6Very low34.8Very low139 Ų139121.4 Ų121.474%0.74377%0.774SS**  trans72118.6145.1-64.9-37.6000123.5
338V34.9Very low35.3Very low116 Ų116121.4 Ų121.470%0.70377%0.77SS**  70142.8123.8-51.90000124.1
339T32.6Very low36.5Very low138 Ų138123.9 Ų123.985%0.84777%0.772SS**  trans101.5128.3148.459.70000121
340S40.4Very low37Very low108 Ų108125.5 Ų125.576%0.75577%0.772SS**  trans-55.9163.1173.9-42.60000114.6
341L32Very low37.3Very low174 Ų174123.7 Ų123.791%0.91177%0.773SS**  -178.4143.8120.4-92.1169.6000112.1
342S35Very low37.9Very low108 Ų108128 Ų12876%0.75578%0.777SS**  trans-59.8158.4175.5-62.60000115.2
343S34.4Very low38.8Very low105 Ų105127.3 Ų127.373%0.73478%0.778SS**  trans-168.8108.3137.3-75.80000109.1
344Q35.4Very low39.6Very low186 Ų186127.7 Ų127.787%0.86978%0.778SS**  87.6116.2101.4-76.5-18019.300114.6
345L38.3Very low40.1Very low162 Ų162127.4 Ų127.485%0.84878%0.776SS**  trans-69.8168.8161.8-68.4165.8000110.5
346P51.5Low41.5Very low112 Ų112130.2 Ų130.273%0.72778%0.781SS**  -142146.298.433.1-16.4000116.4
347D34.1Very low42.1Very low135 Ų135131 Ų13172%0.72278%0.782SS**  trans41.1111.8135-64.8-59.3000124
348T41.6Very low42.8Very low112 Ų112132.6 Ų132.669%0.68778%0.784SS**  37.3149.4112.366.10000120.2
349P52.3Low43.6Very low126 Ų126137.4 Ų137.482%0.81881%0.814SS**  cis-145.1163.443.138.8-16000121.2
350N40.1Very low44.2Very low142 Ų142137.4 Ų137.476%0.75981%0.813SS**  trans-55.4152.6167.1-72.1-55.8000114.2
351S39.7Very low44.4Very low124 Ų124138.9 Ų138.987%0.86782%0.816SS**  trans-146.7103.2139.4-168.20000110.3
352M44.9Very low45.1Very low158 Ų158137 Ų13778%0.77881%0.811SS**  trans-72155.7149.2-62.3171.1114.200106.5
353V50.2Low45.7Very low132 Ų132138.7 Ų138.780%0.881%0.814SS**  -175.3-166.269.5-157.50000108.6
354P51.7Low46.4Very low113 Ų113140.8 Ų140.873%0.73482%0.819SS**  -114.5-176.4-10338.2-18.4000116.6
355S45Very low47.1Very low110 Ų110137.8 Ų137.877%0.76982%0.815SS**  trans-45.6168.8163.2-48.60000115.8
356P61.3Low47.7Very low130 Ų130136.1 Ų136.184%0.84481%0.813SS**  -142.5170.5104.537.1-21.9000115.9
357V52.3Low47.4Very low122 Ų122137.9 Ų137.974%0.73982%0.82SS**  trans-87.7165.317871.80000111.4
358E51.2Low48.5Very low171 Ų171138.2 Ų138.280%0.79983%0.828SS**  trans77.9112.9161.1-68.8-174.9121.600119.2
359T52.3Low49.2Very low218 Ų218140.5 Ų140.5100%1.33784%0.841SS**  -148.50103.9-24.60000110.6

Retrieved 359 of 359 residues in 1131.8 ms (Link to these results)