A0A3Q0KGA3_SCHMA Loading...

ANK_REP_REGION domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KGA3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 838 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
1M31.1Very low31.6Very low234 Ų234145.2 Ų145.2100%1.15381%0.814SS**  0154.60-74.3178.6163.300108.8
2S28.1Very low32.2Very low123 Ų123141.8 Ų141.886%0.8681%0.805SS**  trans62.3144.7167.5-57.40000116.9
3S31Very low32.9Very low98 Ų98141.1 Ų141.169%0.68578%0.781SS**  cis-151.3116.6-548.50000110.5
4N30.1Very low34.2Very low175 Ų175138.1 Ų138.194%0.93675%0.752SS**  trans-98.693.7170.8-88.4-28000110
5V31.5Very low35.5Very low139 Ų139130.9 Ų130.984%0.84271%0.714SS**  trans-124.4132177-179.30000108.9
6G31.3Very low36.9Very low64 Ų64123.2 Ų123.266%0.6667%0.673SS**  trans114.814.316800000118.4I8G6-I8 PolarHBondContact O-N 3.25Å; G6-I8 VanDerWaalsContact O-N 3.16Å
7L30.9Very low38.7Very low170 Ų170116.9 Ų116.989%0.8964%0.639SS**  trans-69.8110.7175.7-82171.1000112.4
8I33Very low41.1Very low151 Ų151118.1 Ų118.177%0.77463%0.632SS**  trans-69.7139.2-177.7-61.5169.7000111.5G6 R10G6-I8 PolarHBondContact O-N 3.25Å; G6-I8 VanDerWaalsContact O-N 3.16Å; I8-R10 PolarHBondContact O-N 3.04Å
9S29.8Very low43.6Very low99 Ų99114.7 Ų114.769%0.69261%0.61SS**  trans-58.5120.8178.9-176.70000113.2Q11S9-Q11 PolarHBondContact O-N 3.25Å; S9-Q11 VanDerWaalsContact O-N 3.14Å
10R34.7Very low45.9Very low167 Ų167112.7 Ų112.763%0.6360%0.597SS**  trans-83.878.8-174-70.3-177.5171.4-116.7-9.6113I8 C12 C16 D17I8-R10 PolarHBondContact O-N 3.04Å; R10-C12 PolarHBondContact O-N 3.16Å; R10-C16 PolarHBondContact NH1-O 2.98Å; R10-D17 IonicContact CZ-OD1 3.08Å; R10-D17 IonicContact NH1-OD1 3.72Å; R10-D17 PolarHBondContact NH1-OD1 3.31Å; R10-D17 IonicContact NH2-OD1 2.87Å; R10-D17 PolarHBondContact NH2-OD1 3.23Å
11Q36.3Very low48.1Very low177 Ų177107.3 Ų107.383%0.82757%0.568SS**  trans-74.5118175.8-75.4175.6-23.200113.1S9S9-Q11 PolarHBondContact O-N 3.25Å; S9-Q11 VanDerWaalsContact O-N 3.14Å
12C38.2Very low50.9Low105 Ų10597.9 Ų97.971%0.70952%0.521SS*.SBendtrans9366.7167.1-155.40000119.7R10 R14R10-C12 PolarHBondContact O-N 3.16Å; C12-R14 PolarHBondContact O-N 3.04Å
13R41.7Very low53.8Low132 Ų13295.1 Ų95.150%0.49850%0.496SS..SBendtrans3.291.9140.1-59.3175.7178.6139.3-7.6117.9T642 D643R13-T642 PolarHBondContact NH2-OG1 3.46Å; R13-D643 IonicContact CZ-OD1 2.68Å; R13-D643 IonicContact CZ-OD2 3.56Å; R13-D643 IonicContact NH1-OD1 2.63Å; R13-D643 PolarHBondContact NH1-OD1 3.29Å; R13-D643 IonicContact NH1-OD2 3.86Å; R13-D643 PolarHBondContact NH1-OD2 2.95Å; R13-D643 IonicContact NH2-OD1 3.8Å; R13-D643 PolarHBondContact NH2-OD1 2.87Å; R13-D643 IonicContact NH2-OD2 2.68Å
14R51.3Low56.4Low99 Ų9997.7 Ų97.737%0.37450%0.498SS..SBendtrans-177.3-13139.6-131.5177.3-69.8-152.7-8.7116.5C12 Q426C12-R14 PolarHBondContact O-N 3.04Å; R14-Q426 VanDerWaalsContact NH1-OE1 3.11Å
15T53.7Low59.2Low30 Ų3097.4 Ų97.418%0.18449%0.488CS..SBendtrans-108.6156.3173.268.80000107.7D17 R18 D408 Y410T15-D17 WeakPolarHBondContact CB-O 3.26Å; T15-D17 PolarHBondContact OG1-O 2.87Å; T15-R18 VanDerWaalsContact OG1-CG 3.24Å; T15-R18 WeakPolarHBondContact OG1-CG 2.8Å; T15-D408 HydrophobicContact CG2-CB 3.68Å; T15-D408 WeakPolarHBondContact CG2-OD2 3.45Å; T15-Y410 HydrophobicContact CG2-CE1 3.8Å
16C57.1Low61.9Low8 Ų892.8 Ų92.85%0.05446%0.458CS..SBendtrans-75.2-35.8-176.7-60.50000110.7R10 V409 Y410 D411 R445R10-C16 PolarHBondContact NH1-O 2.98Å; C16-V409 WeakPolarHBondContact CA-O 3.11Å; C16-V409 VanDerWaalsContact CB-O 3.28Å; C16-V409 WeakPolarHBondContact CB-O 3.28Å; C16-V409 PolarHBondContact N-O 3.15Å; C16-Y410 VanDerWaalsContact SG-CA 3.6Å; C16-D411 PolarHBondContact SG-N 2.87Å; C16-D411 PolarHBondContact SG-OD2 2.84Å; C16-R445 HydrophobicContact CB-CB 4.16Å; C16-R445 VanDerWaalsContact CB-CD 3.5Å; C16-R445 HydrophobicContact CB-CG 3.66Å
17D68.7Low64.7Low16 Ų1689.8 Ų89.89%0.08643%0.427CS..EExtended strand (participates in β ladder)trans-144.7171.9162-66.5-63.1000111.1R10 T15 Y19 V409 R445R10-D17 IonicContact CZ-OD1 3.08Å; R10-D17 IonicContact NH1-OD1 3.72Å; R10-D17 PolarHBondContact NH1-OD1 3.31Å; R10-D17 IonicContact NH2-OD1 2.87Å; R10-D17 PolarHBondContact NH2-OD1 3.23Å; T15-D17 WeakPolarHBondContact CB-O 3.26Å; T15-D17 PolarHBondContact OG1-O 2.87Å; D17-Y19 HydrophobicContact CB-CD2 4.14Å; D17-Y19 HydrophobicContact CB-CE1 4.19Å; D17-Y19 HydrophobicContact CB-CE2 3.35Å; D17-Y19 WeakPolarHBondContact CB-OH 3.5Å; D17-Y19 PolarHBondContact OD2-OH 2.83Å; D17-V409 PolarHBondContact N-O 3.08Å; D17-V409 VanDerWaalsContact N-O 3.09Å; D17-V409 PolarHBondContact O-N 3.14Å; D17-R445 IonicContact OD2-CZ 2.65Å; D17-R445 IonicContact OD2-NE 3.55Å; D17-R445 IonicContact OD2-NH2 3.54Å; D17-R445 PolarHBondContact OD2-NH2 2.96Å
18R81.6Confident67.4Low139 Ų13984.5 Ų84.553%0.52540%0.402SS..EExtended strand (participates in β ladder)trans-135127.3166.8-70.3-164.8140.7140.64.6109.8T15 D408T15-R18 VanDerWaalsContact OG1-CG 3.24Å; T15-R18 WeakPolarHBondContact OG1-CG 2.8Å; R18-D408 IonicContact CZ-OD1 3.41Å; R18-D408 VanDerWaalsContact CZ-OD1 3.29Å; R18-D408 IonicContact CZ-OD2 2.78Å; R18-D408 IonicContact NE-OD1 3.88Å; R18-D408 PolarHBondContact NE-OD1 2.92Å; R18-D408 IonicContact NH2-OD1 2.7Å; R18-D408 PolarHBondContact NH2-OD1 3.37Å; R18-D408 IonicContact NH2-OD2 3.84Å; R18-D408 PolarHBondContact NH2-OD2 3.04Å
19Y88.5Confident70Confident53 Ų5381 Ų8121%0.20838%0.382CS..EExtended strand (participates in β ladder)trans-125.9152.2-177.1-58.6-65.6000110.6D17 I26 K30 T406 F407 V409D17-Y19 HydrophobicContact CB-CD2 4.14Å; D17-Y19 HydrophobicContact CB-CE1 4.19Å; D17-Y19 HydrophobicContact CB-CE2 3.35Å; D17-Y19 WeakPolarHBondContact CB-OH 3.5Å; D17-Y19 PolarHBondContact OD2-OH 2.83Å; Y19-I26 HydrophobicContact CD1-CD1 4.07Å; Y19-I26 HydrophobicContact CD1-CG2 3.57Å; Y19-I26 HydrophobicContact CD2-CG2 4.09Å; Y19-I26 HydrophobicContact CE1-CD1 4.37Å; Y19-I26 HydrophobicContact CE1-CG2 4.09Å; Y19-I26 HydrophobicContact CG-CG2 3.55Å; Y19-K30 HydrophobicContact CD2-CG 4.24Å; Y19-K30 HydrophobicContact CE2-CG 4.28Å; Y19-T406 CarbonylContact O-C 3.59Å; Y19-T406 WeakPolarHBondContact O-CA 3.33Å; Y19-T406 WeakPolarHBondContact O-CB 3.08Å; Y19-F407 HydrophobicContact CD2-CE2 4.04Å; Y19-F407 HydrophobicContact CD2-CZ 4.46Å; Y19-F407 HydrophobicContact CG-CE2 4.41Å; Y19-F407 HydrophobicContact CG-CZ 4.43Å; Y19-F407 PolarHBondContact N-O 2.82Å; Y19-F407 VanDerWaalsContact N-O 3.09Å; Y19-F407 WeakPolarHBondContact O-CD1 3.5Å; Y19-F407 PolarHBondContact O-N 3.44Å; Y19-V409 HydrophobicContact CD2-CB 4.34Å; Y19-V409 HydrophobicContact CD2-CG2 3.69Å; Y19-V409 HydrophobicContact CE2-CB 4.16Å; Y19-V409 HydrophobicContact CE2-CG2 3.93Å
20Q89.6Confident72.8Confident75 Ų7577.1 Ų77.135%0.3535%0.353SS..EExtended strand (participates in β ladder)trans-92.3143.2-179.7-67.4176.99.100111.1F22 D23 S405 T406Q20-F22 PolarHBondContact O-N 3.09Å; Q20-D23 PolarHBondContact O-N 3.22Å; Q20-S405 WeakPolarHBondContact CA-O 3.38Å; Q20-T406 HydrophobicContact CG-CG2 3.99Å
21F91.3Very high75.4Confident0 Ų069.8 Ų69.80%033%0.326CS..THydrogen-bonded Turntrans-62.7-23.4172.5-72.2-69.8000113.5L31 I187 V191 V212 W218 S405 F407F21-L31 HydrophobicContact CD1-CD1 3.79Å; F21-L31 HydrophobicContact CE1-CD1 3.71Å; F21-I187 HydrophobicContact CE1-CD1 4.48Å; F21-I187 HydrophobicContact CZ-CD1 4.48Å; F21-I187 HydrophobicContact CZ-CG1 4.27Å; F21-I187 HydrophobicContact CZ-CG2 3.86Å; F21-V191 HydrophobicContact CE2-CG1 4.46Å; F21-V212 HydrophobicContact CB-CG1 4.36Å; F21-V212 HydrophobicContact CD1-CG1 3.72Å; F21-V212 HydrophobicContact CD2-CG1 3.91Å; F21-V212 HydrophobicContact CE1-CG1 3.91Å; F21-V212 HydrophobicContact CE2-CG1 4.11Å; F21-V212 HydrophobicContact CG-CG1 3.73Å; F21-V212 HydrophobicContact CZ-CG1 4.11Å; F21-W218 HydrophobicContact CD2-CH2 4.28Å; F21-S405 VanDerWaalsContact CD2-O 3.31Å; F21-S405 WeakPolarHBondContact CD2-O 3.35Å; F21-S405 PolarHBondContact N-O 3.46Å; F21-F407 AromaticContact CD1-CD1 3.78Å; F21-F407 HydrophobicContact CD1-CD1 3.78Å; F21-F407 HydrophobicContact CD1-CE1 4.21Å; F21-F407 HydrophobicContact CD2-CD1 4.39Å; F21-F407 HydrophobicContact CE1-CB 4.22Å; F21-F407 AromaticContact CE1-CD1 3.63Å; F21-F407 HydrophobicContact CE1-CD1 3.63Å; F21-F407 HydrophobicContact CE1-CE1 4.38Å; F21-F407 HydrophobicContact CE1-CG 4.24Å; F21-F407 HydrophobicContact CE2-CB 4.2Å; F21-F407 HydrophobicContact CE2-CD1 4.26Å; F21-F407 HydrophobicContact CG-CD1 4.15Å; F21-F407 HydrophobicContact CZ-CB 3.73Å; F21-F407 AromaticContact CZ-CD1 3.88Å; F21-F407 HydrophobicContact CZ-CD1 3.88Å; F21-F407 HydrophobicContact CZ-CG 4.22Å
22F89.8Confident77.8Confident35 Ų3563.9 Ų63.915%0.15430%0.302CS..THydrogen-bonded Turntrans-82.4-16.4-176.9-50.2-50.4000114.1Q20 Q24 S215 W218 G235 T236 H401 S405Q20-F22 PolarHBondContact O-N 3.09Å; F22-Q24 PolarHBondContact O-N 2.85Å; F22-Q24 VanDerWaalsContact O-N 3.14Å; F22-S215 WeakPolarHBondContact CE1-O 3.26Å; F22-W218 HydrophobicContact CE1-CD2 4.44Å; F22-W218 AromaticContact CE1-CE2 3.95Å; F22-W218 HydrophobicContact CE1-CZ2 4.12Å; F22-W218 HydrophobicContact CZ-CD2 4Å; F22-W218 AromaticContact CZ-CE2 3.94Å; F22-W218 HydrophobicContact CZ-CE3 4.25Å; F22-W218 HydrophobicContact CZ-CG 4.5Å; F22-W218 HydrophobicContact CZ-CH2 4.43Å; F22-W218 HydrophobicContact CZ-CZ2 4.16Å; F22-W218 HydrophobicContact CZ-CZ3 4.47Å; F22-G235 VanDerWaalsContact CD2-C 3.44Å; F22-G235 VanDerWaalsContact CE2-O 3.26Å; F22-G235 WeakPolarHBondContact CE2-O 3.28Å; F22-T236 HydrophobicContact CD2-CG2 4.47Å; F22-H401 AromaticContact CE2-CE1 3.96Å; F22-S405 VanDerWaalsContact CE2-CB 3.5Å
23D89.6Confident80.1Confident65 Ų6561.4 Ų61.435%0.34829%0.294SS..  trans-7797.5167.4-174.6-41.2000107.9Q20 K25 I26 A27Q20-D23 PolarHBondContact O-N 3.22Å; D23-K25 PolarHBondContact O-N 3.47Å; D23-K25 WeakPolarHBondContact OD1-CB 3.47Å; D23-K25 PolarHBondContact OD1-N 3.14Å; D23-I26 HydrophobicContact CB-CB 4.31Å; D23-I26 PolarHBondContact O-N 2.86Å; D23-I26 PolarHBondContact OD1-N 2.96Å; D23-I26 WeakPolarHBondContact OD2-CD1 3.46Å; D23-A27 WeakPolarHBondContact O-CB 3.41Å; D23-A27 PolarHBondContact O-N 3.3Å
24Q86.5Confident82.3Confident152 Ų15255.5 Ų55.571%0.7127%0.273SS*.Hα-helixtrans-62.9-27.5-176.1-175.3173.8-12.700112.8F22 V28F22-Q24 PolarHBondContact O-N 2.85Å; F22-Q24 VanDerWaalsContact O-N 3.14Å; Q24-V28 HydrophobicContact CG-CG2 4.38Å; Q24-V28 VanDerWaalsContact O-CB 3.28Å; Q24-V28 WeakPolarHBondContact O-CB 3.11Å; Q24-V28 WeakPolarHBondContact O-CG2 3.3Å; Q24-V28 PolarHBondContact O-N 3.37Å
25K87.7Confident84.1Confident170 Ų17055 Ų5574%0.73928%0.28SS*.Hα-helixtrans-71.9-54.5179.1-174.9-178.6178.2-176.80109.7D23 V28 E29D23-K25 PolarHBondContact O-N 3.47Å; D23-K25 WeakPolarHBondContact OD1-CB 3.47Å; D23-K25 PolarHBondContact OD1-N 3.14Å; K25-V28 PolarHBondContact O-N 2.95Å; K25-E29 PolarHBondContact O-N 3.25Å
26I89.1Confident85.7Confident42 Ų4254.4 Ų54.422%0.21528%0.276CS..Hα-helixtrans-69.4-36.6-178.6-57177.7000111.2Y19 D23 V28 E29 K30Y19-I26 HydrophobicContact CD1-CD1 4.07Å; Y19-I26 HydrophobicContact CD1-CG2 3.57Å; Y19-I26 HydrophobicContact CD2-CG2 4.09Å; Y19-I26 HydrophobicContact CE1-CD1 4.37Å; Y19-I26 HydrophobicContact CE1-CG2 4.09Å; Y19-I26 HydrophobicContact CG-CG2 3.55Å; D23-I26 HydrophobicContact CB-CB 4.31Å; D23-I26 PolarHBondContact O-N 2.86Å; D23-I26 PolarHBondContact OD1-N 2.96Å; D23-I26 WeakPolarHBondContact OD2-CD1 3.46Å; I26-V28 VanDerWaalsContact C-N 3.3Å; I26-V28 PolarHBondContact O-N 3.47Å; I26-E29 PolarHBondContact O-N 3.11Å; I26-K30 HydrophobicContact CG2-CG 4.04Å; I26-K30 WeakPolarHBondContact O-CB 3.44Å; I26-K30 PolarHBondContact O-N 3Å
27A89Confident86.9Confident0 Ų056.4 Ų56.40%029%0.288CS..Hα-helixtrans-75.8-14175.900000113.5D23 L31 R213 F407D23-A27 WeakPolarHBondContact O-CB 3.41Å; D23-A27 PolarHBondContact O-N 3.3Å; A27-L31 HydrophobicContact CB-CD1 4.07Å; A27-L31 VanDerWaalsContact O-CB 3.3Å; A27-L31 WeakPolarHBondContact O-CB 3.39Å; A27-L31 WeakPolarHBondContact O-CG 3.34Å; A27-R213 HydrophobicContact CB-CG 3.89Å; A27-R213 WeakPolarHBondContact O-CD 3.44Å; A27-F407 HydrophobicContact CB-CE1 4.23Å
28V88.3Confident86.8Confident60 Ų6056.8 Ų56.836%0.36430%0.296SS..Hα-helixtrans-78.9-50.5162166.30000109.8Q24 K25 I26 T32Q24-V28 HydrophobicContact CG-CG2 4.38Å; Q24-V28 VanDerWaalsContact O-CB 3.28Å; Q24-V28 WeakPolarHBondContact O-CB 3.11Å; Q24-V28 WeakPolarHBondContact O-CG2 3.3Å; Q24-V28 PolarHBondContact O-N 3.37Å; K25-V28 PolarHBondContact O-N 2.95Å; I26-V28 VanDerWaalsContact C-N 3.3Å; I26-V28 PolarHBondContact O-N 3.47Å; V28-T32 VanDerWaalsContact O-CG2 3.26Å; V28-T32 WeakPolarHBondContact O-CG2 3.48Å; V28-T32 PolarHBondContact O-N 3.41Å; V28-T32 PolarHBondContact O-OG1 3.23Å
29E88.6Confident86.3Confident78 Ų7850.6 Ų50.636%0.36427%0.273SS..Hα-helixtrans-58.3-52.3-178.6-169.9-158.7123.900112.7K25 I26 T32 Y180K25-E29 PolarHBondContact O-N 3.25Å; I26-E29 PolarHBondContact O-N 3.11Å; E29-T32 PolarHBondContact O-OG1 2.83Å; E29-Y180 WeakPolarHBondContact O-CE1 3.45Å
30K88Confident85.2Confident17 Ų1750.8 Ų50.87%0.07428%0.279CS..THydrogen-bonded Turntrans-84.9-13.1-171.1-62.3-52.4-167.5-168.10114.8Y19 I26 N179 E183 F407 V409Y19-K30 HydrophobicContact CD2-CG 4.24Å; Y19-K30 HydrophobicContact CE2-CG 4.28Å; I26-K30 HydrophobicContact CG2-CG 4.04Å; I26-K30 WeakPolarHBondContact O-CB 3.44Å; I26-K30 PolarHBondContact O-N 3Å; K30-N179 PolarHBondContact O-ND2 2.98Å; K30-E183 WeakPolarHBondContact CD-OE2 3.36Å; K30-E183 WeakPolarHBondContact CE-OE2 3.41Å; K30-E183 IonicContact NZ-OE1 3.68Å; K30-E183 PolarHBondContact NZ-OE1 3.31Å; K30-E183 VanDerWaalsContact NZ-OE1 3.09Å; K30-E183 IonicContact NZ-OE2 3.44Å; K30-E183 PolarHBondContact NZ-OE2 3.22Å; K30-F407 HydrophobicContact CB-CE2 3.68Å; K30-F407 HydrophobicContact CB-CZ 3.99Å; K30-F407 HydrophobicContact CG-CE2 4.42Å; K30-V409 HydrophobicContact CB-CG2 4.5Å
31L89.9Confident84.2Confident12 Ų1249.2 Ų49.26%0.06327%0.271CS..THydrogen-bonded Turntrans-114.114.6-175.3-48.5178.2000114.2F21 A27 L34 V185 I187 V209 F407F21-L31 HydrophobicContact CD1-CD1 3.79Å; F21-L31 HydrophobicContact CE1-CD1 3.71Å; A27-L31 HydrophobicContact CB-CD1 4.07Å; A27-L31 VanDerWaalsContact O-CB 3.3Å; A27-L31 WeakPolarHBondContact O-CB 3.39Å; A27-L31 WeakPolarHBondContact O-CG 3.34Å; L31-L34 HydrophobicContact CB-CD1 4.1Å; L31-L34 HydrophobicContact CD2-CD1 4.3Å; L31-V185 HydrophobicContact CD2-CG1 3.83Å; L31-I187 HydrophobicContact CD2-CD1 4.26Å; L31-V209 HydrophobicContact CB-CG1 4.29Å; L31-V209 HydrophobicContact CD1-CG1 4.17Å; L31-F407 HydrophobicContact CD1-CD1 4.32Å; L31-F407 HydrophobicContact CD1-CE1 3.99Å; L31-F407 HydrophobicContact CD1-CZ 4.28Å; L31-F407 HydrophobicContact CD2-CD1 4.37Å; L31-F407 HydrophobicContact CD2-CD2 3.93Å; L31-F407 HydrophobicContact CD2-CE1 4.27Å; L31-F407 HydrophobicContact CD2-CE2 3.82Å; L31-F407 HydrophobicContact CD2-CG 4.2Å; L31-F407 HydrophobicContact CD2-CZ 3.99Å; L31-F407 HydrophobicContact CG-CE1 4.25Å; L31-F407 HydrophobicContact CG-CE2 4.34Å; L31-F407 HydrophobicContact CG-CZ 4.03Å
32T86Confident82.6Confident53 Ų5352.4 Ų52.433%0.32529%0.294SS..SBendtrans-90.6152.1167.943.70000111.6V28 E29 L34 Y180V28-T32 VanDerWaalsContact O-CG2 3.26Å; V28-T32 WeakPolarHBondContact O-CG2 3.48Å; V28-T32 PolarHBondContact O-N 3.41Å; V28-T32 PolarHBondContact O-OG1 3.23Å; E29-T32 PolarHBondContact O-OG1 2.83Å; T32-L34 VanDerWaalsContact C-N 3.29Å; T32-L34 PolarHBondContact O-N 3.4Å; T32-Y180 WeakPolarHBondContact OG1-CD1 3.34Å; T32-Y180 WeakPolarHBondContact OG1-CE1 3.05Å
33G85.3Confident80.5Confident53 Ų5358.2 Ų58.255%0.54633%0.327SS..SBendtrans63.229178.300000114.7V35G33-V35 PolarHBondContact O-N 3.32Å
34L89.8Confident78Confident8 Ų862.4 Ų62.44%0.04234%0.344CS..  trans-72.3120.5-175.8-65.7-178.2000112.7L31 T32 F177 R178 N179 V185 L206 V209L31-L34 HydrophobicContact CB-CD1 4.1Å; L31-L34 HydrophobicContact CD2-CD1 4.3Å; T32-L34 VanDerWaalsContact C-N 3.29Å; T32-L34 PolarHBondContact O-N 3.4Å; L34-F177 HydrophobicContact CB-CB 4.14Å; L34-F177 HydrophobicContact CB-CD1 4.05Å; L34-F177 HydrophobicContact CB-CG 4.32Å; L34-F177 HydrophobicContact CD1-CG 4.42Å; L34-F177 HydrophobicContact CD2-CB 3.89Å; L34-F177 HydrophobicContact CG-CB 4.41Å; L34-R178 CarbonylContact C-O 3.42Å; L34-R178 WeakPolarHBondContact CA-O 3.42Å; L34-N179 HydrophobicContact CD2-CB 3.85Å; L34-V185 HydrophobicContact CD2-CB 4.34Å; L34-V185 HydrophobicContact CD2-CG2 4.16Å; L34-L206 HydrophobicContact CB-CD2 3.83Å; L34-V209 HydrophobicContact CD1-CG1 4.05Å; L34-V209 HydrophobicContact CD1-CG2 4.35Å
35V87.7Confident75.6Confident88 Ų8865.1 Ų65.153%0.53335%0.347SS..EExtended strand (participates in β ladder)trans-110.1127.4170.9-177.30000109.1G33 V37 F177 R178G33-V35 PolarHBondContact O-N 3.32Å; V35-V37 WeakPolarHBondContact O-CG2 3.34Å; V35-F177 CarbonylContact O-C 3.55Å; V35-F177 WeakPolarHBondContact O-CA 3.44Å; V35-R178 PolarHBondContact N-O 2.85Å; V35-R178 PolarHBondContact O-N 3.35Å
36L87.8Confident72.9Confident19 Ų1962.2 Ų62.210%0.09935%0.349CS..EExtended strand (participates in β ladder)trans-64.2138178.5-176.168.5000111.5E39 F41 L166 F177 M202 L205L36-E39 HydrophobicContact CD2-CB 4.26Å; L36-E39 VanDerWaalsContact CD2-O 3.27Å; L36-E39 WeakPolarHBondContact CD2-O 3.44Å; L36-F41 HydrophobicContact CD2-CE2 4.09Å; L36-F41 HydrophobicContact CD2-CZ 4.46Å; L36-L166 HydrophobicContact CD2-CD1 3.76Å; L36-L166 HydrophobicContact CD2-CD2 4.07Å; L36-L166 HydrophobicContact CD2-CG 4.07Å; L36-F177 HydrophobicContact CB-CD1 4.31Å; L36-F177 HydrophobicContact CB-CE1 4.33Å; L36-F177 HydrophobicContact CD1-CD1 4.24Å; L36-F177 HydrophobicContact CD1-CE1 3.87Å; L36-F177 HydrophobicContact CD1-CZ 4.12Å; L36-M202 HydrophobicContact CB-CE 3.85Å; L36-M202 HydrophobicContact CB-SD 3.99Å; L36-L205 HydrophobicContact CD1-CD2 4.19Å; L36-L205 HydrophobicContact CD2-CD2 4.21Å
37V81.6Confident70.3Confident50 Ų5066.9 Ų66.930%0.30337%0.37SS..EExtended strand (participates in β ladder)trans-129.6137.1-179.6-150.40000111.6V35 E39 F176 R178 L416V35-V37 WeakPolarHBondContact O-CG2 3.34Å; V37-E39 PolarHBondContact O-N 3.15Å; V37-F176 PolarHBondContact N-O 3.32Å; V37-R178 HydrophobicContact CG2-CB 3.93Å; V37-L416 HydrophobicContact CB-CD2 3.77Å; V37-L416 HydrophobicContact CG1-CD2 3.43Å; V37-L416 VanDerWaalsContact CG1-CD2 3.43Å
38G68.2Low67.5Low24 Ų2474.3 Ų74.325%0.24741%0.409CS..SBendtrans740.317700000115.7K172G38-K172 PolarHBondContact O-NZ 3.25Å
39E70.7Confident65Low9 Ų978.1 Ų78.14%0.04243%0.433CS..EExtended strand (participates in β ladder)trans-133.8151.7161.8-59.6-152.115700110.6L36 V37 S164 L166 K172 L175 R189L36-E39 HydrophobicContact CD2-CB 4.26Å; L36-E39 VanDerWaalsContact CD2-O 3.27Å; L36-E39 WeakPolarHBondContact CD2-O 3.44Å; V37-E39 PolarHBondContact O-N 3.15Å; E39-S164 CarbonylContact C-O 3.58Å; E39-S164 WeakPolarHBondContact CA-O 3.45Å; E39-S164 VanDerWaalsContact CB-O 3.25Å; E39-S164 WeakPolarHBondContact CB-O 3.14Å; E39-L166 HydrophobicContact CB-CD2 4.23Å; E39-L166 HydrophobicContact CB-CG 4.14Å; E39-L166 WeakPolarHBondContact OE2-CD2 3.46Å; E39-K172 WeakPolarHBondContact OE1-CD 3.42Å; E39-K172 WeakPolarHBondContact OE1-CE 3.25Å; E39-K172 IonicContact OE1-NZ 2.69Å; E39-K172 PolarHBondContact OE1-NZ 3.41Å; E39-L175 HydrophobicContact CG-CD2 4.37Å; E39-L175 VanDerWaalsContact OE2-CD2 3.31Å; E39-L175 WeakPolarHBondContact OE2-CD2 3.41Å; E39-R189 IonicContact OE1-NH1 3.94Å; E39-R189 IonicContact OE2-CZ 3.06Å; E39-R189 IonicContact OE2-NH1 2.67Å; E39-R189 PolarHBondContact OE2-NH1 3.16Å
40T64.8Low62.2Low56 Ų5681.7 Ų81.734%0.34445%0.454SS..EExtended strand (participates in β ladder)trans-125.7156.4178.645.50000112N163 S164 S165 L166T40-N163 HydrophobicContact CG2-CB 3.72Å; T40-S164 PolarHBondContact N-O 3.14Å; T40-S164 VanDerWaalsContact N-O 3.11Å; T40-S165 CarbonylContact O-C 3.51Å; T40-S165 WeakPolarHBondContact O-CA 3.41Å; T40-L166 PolarHBondContact O-N 3.3Å
41F68.5Low59.6Low42 Ų4287.2 Ų87.218%0.18449%0.49CS..  trans-72.7152.5163.4-61.5-84.7000109.6L36 N43 L166 V200 T201 M202 L205L36-F41 HydrophobicContact CD2-CE2 4.09Å; L36-F41 HydrophobicContact CD2-CZ 4.46Å; F41-N43 PolarHBondContact O-N 3.46Å; F41-L166 HydrophobicContact CD1-CD1 3.37Å; F41-L166 HydrophobicContact CD2-CD1 4.13Å; F41-L166 HydrophobicContact CE1-CD1 3.25Å; F41-L166 HydrophobicContact CE2-CD1 4.01Å; F41-L166 HydrophobicContact CG-CD1 3.83Å; F41-L166 HydrophobicContact CZ-CD1 3.58Å; F41-V200 VanDerWaalsContact CD1-C 3.47Å; F41-V200 WeakPolarHBondContact CD1-O 3.38Å; F41-T201 VanDerWaalsContact CE1-O 3.23Å; F41-T201 WeakPolarHBondContact CE1-O 3.44Å; F41-T201 VanDerWaalsContact CZ-O 3.23Å; F41-T201 WeakPolarHBondContact CZ-O 3.47Å; F41-M202 HydrophobicContact CE2-CB 4.09Å; F41-M202 HydrophobicContact CE2-CE 4.01Å; F41-M202 HydrophobicContact CE2-SD 3.92Å; F41-M202 HydrophobicContact CZ-CB 4.42Å; F41-M202 HydrophobicContact CZ-SD 4.36Å; F41-L205 HydrophobicContact CZ-CB 4.24Å; F41-L205 HydrophobicContact CZ-CD2 3.94Å
42S57.4Low56.8Low68 Ų6896.3 Ų96.348%0.47653%0.529SS..  trans-87.5105.6179.2-77.70000110.1H44 S165S42-H44 PolarHBondContact O-N 2.85Å; S42-S165 PolarHBondContact OG-OG 3.39Å
43N45.2Very low54.2Low157 Ų15798.1 Ų98.184%0.8455%0.549SS*.  trans-62.5101.6178.6-69.6-0.7000111.5F41 R45F41-N43 PolarHBondContact O-N 3.46Å; N43-R45 PolarHBondContact O-N 3.08Å
44H38.8Very low51.7Low152 Ų152101.5 Ų101.570%0.70456%0.56SS**  trans-78.5100.5155.5-89.1-81.1000107.9S42S42-H44 PolarHBondContact O-N 2.85Å
45R34.5Very low49.2Very low209 Ų209108.1 Ų108.179%0.78960%0.595SS**  trans-76.1120.5173.6-165-175.4-160.7-154.310.8108.8N43 E47N43-R45 PolarHBondContact O-N 3.08Å; R45-E47 IonicContact CZ-OE1 2.94Å; R45-E47 IonicContact NE-OE1 3.3Å; R45-E47 PolarHBondContact NE-OE1 2.7Å; R45-E47 IonicContact NH1-OE1 3.85Å; R45-E47 PolarHBondContact NH1-OE1 2.84Å; R45-E47 IonicContact NH2-OE1 2.63Å
46S30.8Very low46.7Very low110 Ų110108.2 Ų108.277%0.76960%0.597SS**  trans-82.9116.8173.5-61.60000110.4
47E35.5Very low44.2Very low140 Ų140113.4 Ų113.465%0.65463%0.632SS**  trans-129.6141.5160.6-86.1163.5-145.900107.6R45R45-E47 IonicContact CZ-OE1 2.94Å; R45-E47 IonicContact NE-OE1 3.3Å; R45-E47 PolarHBondContact NE-OE1 2.7Å; R45-E47 IonicContact NH1-OE1 3.85Å; R45-E47 PolarHBondContact NH1-OE1 2.84Å; R45-E47 IonicContact NH2-OE1 2.63Å
48N30.2Very low41.9Very low155 Ų155115.4 Ų115.483%0.82965%0.645SS**  trans-85.2139.9-164.4-64.2-35.4000112.7
49T35.8Very low40.2Very low140 Ų140120.9 Ų120.986%0.85966%0.662SS**  trans-170.4151.2131.5130000110.5
50D29.9Very low38.3Very low153 Ų153128.5 Ų128.582%0.81869%0.691SS**  trans-72.5126.1-174.2-61.6-90.9000113.7
51T33.6Very low36.7Very low133 Ų133137 Ų13782%0.81672%0.719SS**  -174.7128.5119.420.50000114
52K31.4Very low34.9Very low203 Ų203140.2 Ų140.288%0.88374%0.737SS**  trans3188.1150.1-64.3179.4179.2174.50119.5
53A30.6Very low33.5Very low92 Ų92141.6 Ų141.676%0.7675%0.746SS**  trans80.2138.8131.200000122.6
54T32.9Very low33Very low124 Ų124137.1 Ų137.176%0.76173%0.727SS**  trans96.484.7151.1-27.30000119.8
55N36.5Very low33.1Very low147 Ų147136.4 Ų136.479%0.78673%0.728SS**  trans48124.1138.6-58.2-18.5000122
56P36.6Very low33.8Very low89 Ų89135.1 Ų135.158%0.57873%0.731SS**PPolyproline II helixtrans-76.3159.6172.632.8-35.3000113.9
57P34Very low35.1Very low129 Ų129137.2 Ų137.284%0.83873%0.726SS**PPolyproline II helixtrans-85.4121-161.631.6-36000115.6
58T33.9Very low37Very low92 Ų92132.9 Ų132.956%0.56471%0.705SS**PPolyproline II helixtrans-71.1143.1166.540.80000113.4Y60T58-Y60 VanDerWaalsContact C-N 3.32Å; T58-Y60 HydrophobicContact CG2-CE2 4.36Å; T58-Y60 PolarHBondContact O-N 3.14Å; T58-Y60 VanDerWaalsContact OG1-CD2 3.3Å; T58-Y60 WeakPolarHBondContact OG1-CD2 3.26Å
59K32.5Very low39.5Very low138 Ų138129.3 Ų129.360%0.668%0.683SS**SBendtrans-67.478.6173.7-71.6-179.1-179.9172.20113.2T167K59-T167 PolarHBondContact NZ-O 3.47Å
60Y31.1Very low42Very low169 Ų169122.8 Ų122.866%0.66364%0.644SS**  trans-115.1156.3168.9-75.7-71.7000112.3T58 I62T58-Y60 VanDerWaalsContact C-N 3.32Å; T58-Y60 HydrophobicContact CG2-CE2 4.36Å; T58-Y60 PolarHBondContact O-N 3.14Å; T58-Y60 VanDerWaalsContact OG1-CD2 3.3Å; T58-Y60 WeakPolarHBondContact OG1-CD2 3.26Å; Y60-I62 PolarHBondContact O-N 2.93Å; Y60-I62 VanDerWaalsContact O-N 3.07Å
61Y30.8Very low44.5Very low235 Ų235121.9 Ų121.992%0.92264%0.638SS**  trans-75.881.9161.1-177.3-96.4000106.9
62I30.7Very low46.9Very low110 Ų110118.3 Ų118.356%0.56461%0.614SS**  trans-91.6127.2-177.6-52.9-178.7000108.9Y60 S64Y60-I62 PolarHBondContact O-N 2.93Å; Y60-I62 VanDerWaalsContact O-N 3.07Å; I62-S64 PolarHBondContact O-N 2.98Å
63S29Very low49.6Very low97 Ų97109.2 Ų109.268%0.67858%0.576SS**  trans-70.578161.6-60.90000109.4L65S63-L65 PolarHBondContact O-N 2.88Å
64S33.8Very low52.1Low62 Ų62112.9 Ų112.943%0.43458%0.577SS.*  trans-74.475.5-179.5-170.80000110.9I62 Q66I62-S64 PolarHBondContact O-N 2.98Å; S64-Q66 PolarHBondContact O-N 2.78Å
65L40Very low54.6Low138 Ų138109.9 Ų109.972%0.72356%0.556SS**THydrogen-bonded Turntrans-72.524-176.7-77164.3000114.3S63S63-L65 PolarHBondContact O-N 2.88Å
66Q50.5Low56.9Low181 Ų181111.8 Ų111.885%0.84656%0.558SS**THydrogen-bonded Turntrans-134.8-6.2-178.6-73.8-176.1-30.600114.7S64S64-Q66 PolarHBondContact O-N 2.78Å
67K57.2Low59.1Low155 Ų155108.9 Ų108.967%0.67454%0.536SS*.  trans-143.1111.4171.4-67.4-171.4179.3-179.70109.8H69K67-H69 PolarHBondContact O-CD2 2.86Å; K67-H69 PolarHBondContact O-N 3.19Å
68F76.8Confident61.2Low48 Ų48111.1 Ų111.121%0.21154%0.536CS..  trans-86.797.4179.2-47.4-74.8000109.9M77 E78 A80 M83F68-M77 HydrophobicContact CB-CB 3.87Å; F68-M77 HydrophobicContact CB-CE 4.48Å; F68-M77 PolarHBondContact O-N 3.42Å; F68-E78 VanDerWaalsContact CD2-C 3.5Å; F68-E78 WeakPolarHBondContact CD2-O 3.36Å; F68-E78 VanDerWaalsContact CE2-O 3.29Å; F68-E78 WeakPolarHBondContact CE2-O 3.43Å; F68-A80 HydrophobicContact CD1-CB 4.44Å; F68-A80 HydrophobicContact CE1-CB 3.71Å; F68-A80 HydrophobicContact CZ-CB 4.2Å; F68-M83 HydrophobicContact CB-CE 4.01Å; F68-M83 HydrophobicContact CD1-CE 3.96Å; F68-M83 HydrophobicContact CD1-SD 4.35Å; F68-M83 HydrophobicContact CG-CE 4.49Å
69H82.6Confident63.3Low80 Ų80109.7 Ų109.737%0.3753%0.525SS..BIsolated β-bridgetrans-141.6153.6178.669.2100000112.4K67 N71 L75K67-H69 PolarHBondContact O-CD2 2.86Å; K67-H69 PolarHBondContact O-N 3.19Å; H69-N71 PolarHBondContact CE1-OD1 2.71Å; H69-N71 PolarHBondContact ND1-OD1 2.73Å; H69-L75 CarbonylContact C-O 3.52Å; H69-L75 VanDerWaalsContact CA-O 3.31Å; H69-L75 WeakPolarHBondContact CA-O 3.36Å
70C86.9Confident65.3Low4 Ų4104.6 Ų104.63%0.02751%0.509CS..  trans-114120.5174.5178.90000111I72 C73 Q74 L75 M77 H86 F87 H92C70-I72 VanDerWaalsContact C-N 3.34Å; C70-I72 PolarHBondContact O-N 3.1Å; C70-C73 PolarHBondContact SG-N 3.09Å; C70-Q74 CarbonylContact O-C 3.55Å; C70-Q74 WeakPolarHBondContact O-CA 3.46Å; C70-Q74 PolarHBondContact O-N 2.87Å; C70-L75 HydrophobicContact CB-CB 4.46Å; C70-L75 PolarHBondContact N-O 2.72Å; C70-M77 HydrophobicContact CB-CE 4.48Å; C70-H86 WeakPolarHBondContact CB-NE2 3.16Å; C70-H86 PolarHBondContact SG-NE2 3.04Å; C70-F87 HydrophobicContact CB-CE1 4.35Å; C70-H92 PolarHBondContact SG-CE1 3.25Å
71N83.4Confident67.7Low133 Ų133100 Ų10071%0.71150%0.498SS*.THydrogen-bonded Turntrans-76.4-17.8-179.9-69.9-2000114.3H69H69-N71 PolarHBondContact CE1-OD1 2.71Å; H69-N71 PolarHBondContact ND1-OD1 2.73Å
72I83.7Confident70.2Confident59 Ų5991.3 Ų91.330%0.30347%0.467SS..THydrogen-bonded Turntrans-87.2-39.4-177.8-55-179000110.6C70 N95 I96 P105C70-I72 VanDerWaalsContact C-N 3.34Å; C70-I72 PolarHBondContact O-N 3.1Å; I72-N95 HydrophobicContact CG2-CB 4.07Å; I72-I96 HydrophobicContact CD1-CD1 4.41Å; I72-I96 HydrophobicContact CD1-CG1 3.66Å; I72-P105 WeakPolarHBondContact O-CB 3.37Å
73C87.4Confident72.7Confident12 Ų1288 Ų888%0.08145%0.45CS..THydrogen-bonded Turntrans-107.53.1-176.4-48.80000112.9C70 L75 W91 H92C70-C73 PolarHBondContact SG-N 3.09Å; C73-L75 PolarHBondContact O-N 3.49Å; C73-W91 HydrophobicContact CB-CD2 4.48Å; C73-W91 HydrophobicContact CB-CE3 4.24Å; C73-W91 HydrophobicContact CB-CH2 3.59Å; C73-W91 HydrophobicContact CB-CZ2 3.84Å; C73-W91 HydrophobicContact CB-CZ3 3.8Å; C73-W91 WeakPolarHBondContact O-CH2 3.27Å; C73-H92 PolarHBondContact SG-ND1 2.84Å; C73-H92 VanDerWaalsContact SG-ND1 3.38Å
74Q84.3Confident75.3Confident168 Ų16890.2 Ų90.279%0.78544%0.444SS*.  trans55.710.4-179.2-51.6-168.324.200116.1C70C70-Q74 CarbonylContact O-C 3.55Å; C70-Q74 WeakPolarHBondContact O-CA 3.46Å; C70-Q74 PolarHBondContact O-N 2.87Å
75L84.3Confident77.8Confident62 Ų6293 Ų9333%0.32545%0.449SS..  trans-70.3132.7-179.3-168.574.5000112.1H69 C70 C73 M77 H86 W91H69-L75 CarbonylContact C-O 3.52Å; H69-L75 VanDerWaalsContact CA-O 3.31Å; H69-L75 WeakPolarHBondContact CA-O 3.36Å; C70-L75 HydrophobicContact CB-CB 4.46Å; C70-L75 PolarHBondContact N-O 2.72Å; C73-L75 PolarHBondContact O-N 3.49Å; L75-M77 HydrophobicContact CD2-CG 3.71Å; L75-M77 HydrophobicContact CD2-SD 3.95Å; L75-M77 HydrophobicContact CG-CG 4.11Å; L75-H86 HydrophobicContact CD2-CB 4.42Å; L75-W91 HydrophobicContact CB-CH2 4.31Å; L75-W91 HydrophobicContact CB-CZ3 4.21Å; L75-W91 HydrophobicContact CD1-CH2 4.46Å; L75-W91 HydrophobicContact CD1-CZ3 4.33Å; L75-W91 HydrophobicContact CD2-CZ3 4.2Å; L75-W91 HydrophobicContact CG-CZ3 4.47Å
76K84.5Confident80.2Confident187 Ų18787 Ų8781%0.81342%0.418SS*.BIsolated β-bridgetrans-94.1145.6161.1-67.4175.9-176.8169.60109.4
77M84.4Confident81.9Confident27 Ų2782.9 Ų82.913%0.13340%0.397CS..  trans-135.3161.4-177.1-65.9164-66.500109.4F68 C70 L75 D82 M83 H86F68-M77 HydrophobicContact CB-CB 3.87Å; F68-M77 HydrophobicContact CB-CE 4.48Å; F68-M77 PolarHBondContact O-N 3.42Å; C70-M77 HydrophobicContact CB-CE 4.48Å; L75-M77 HydrophobicContact CD2-CG 3.71Å; L75-M77 HydrophobicContact CD2-SD 3.95Å; L75-M77 HydrophobicContact CG-CG 4.11Å; M77-D82 HydrophobicContact CB-CB 3.94Å; M77-D82 HydrophobicContact CG-CB 4.12Å; M77-D82 HydrophobicContact SD-CB 4.33Å; M77-M83 HydrophobicContact CE-CB 4.09Å; M77-M83 HydrophobicContact CE-CE 4.32Å; M77-M83 HydrophobicContact CE-CG 4.32Å; M77-M83 VanDerWaalsContact SD-CA 3.54Å; M77-M83 HydrophobicContact SD-CB 4.24Å; M77-H86 HydrophobicContact SD-CB 3.64Å
78E76.5Confident83.3Confident176 Ų17682.7 Ų82.782%0.82240%0.397SS*.SBendtrans-95.2-33.6-173.1-61.8-170.3168.400112.3F68 D82F68-E78 VanDerWaalsContact CD2-C 3.5Å; F68-E78 WeakPolarHBondContact CD2-O 3.36Å; F68-E78 VanDerWaalsContact CE2-O 3.29Å; F68-E78 WeakPolarHBondContact CE2-O 3.43Å; E78-D82 PolarHBondContact N-OD2 3.38Å
79N78.5Confident83.8Confident62 Ų6282 Ų8233%0.33240%0.398SS..SBendtrans-140.8174.5-173.674.770000114.3V81 D82 M83N79-V81 VanDerWaalsContact C-N 3.34Å; N79-V81 PolarHBondContact O-N 3.29Å; N79-V81 VanDerWaalsContact OD1-CA 3.3Å; N79-V81 WeakPolarHBondContact OD1-CA 3.46Å; N79-V81 WeakPolarHBondContact OD1-CB 3.16Å; N79-V81 PolarHBondContact OD1-N 3.15Å; N79-D82 VanDerWaalsContact CG-CG 3.46Å; N79-D82 VanDerWaalsContact CG-OD1 3.25Å; N79-D82 PolarHBondContact N-OD2 3Å; N79-D82 PolarHBondContact ND2-OD1 2.93Å; N79-D82 PolarHBondContact ND2-OD2 3.38Å; N79-D82 PolarHBondContact OD1-N 3.44Å; N79-D82 PolarHBondContact OD1-OD1 3.06Å; N79-M83 PolarHBondContact O-N 2.93Å
80A74.2Confident84.1Confident32 Ų3281.4 Ų81.426%0.26440%0.395SS..Hα-helixtrans-75.6-16.1-176.900000114.4F68 R84F68-A80 HydrophobicContact CD1-CB 4.44Å; F68-A80 HydrophobicContact CE1-CB 3.71Å; F68-A80 HydrophobicContact CZ-CB 4.2Å; A80-R84 PolarHBondContact O-NE 3.36Å; A80-R84 PolarHBondContact O-NH2 2.67Å; A80-R84 VanDerWaalsContact O-NH2 3.14Å
81V82.8Confident84.3Confident73 Ų7382 Ų8244%0.44240%0.397SS..Hα-helixtrans-73.7-54.2172.6-172.40000108.8N79 M83 R84 E85N79-V81 VanDerWaalsContact C-N 3.34Å; N79-V81 PolarHBondContact O-N 3.29Å; N79-V81 VanDerWaalsContact OD1-CA 3.3Å; N79-V81 WeakPolarHBondContact OD1-CA 3.46Å; N79-V81 WeakPolarHBondContact OD1-CB 3.16Å; N79-V81 PolarHBondContact OD1-N 3.15Å; V81-M83 PolarHBondContact O-N 3.03Å; V81-M83 VanDerWaalsContact O-N 3.16Å; V81-R84 CarbonylContact O-C 3.6Å; V81-R84 WeakPolarHBondContact O-CA 3.41Å; V81-R84 WeakPolarHBondContact O-CB 3.19Å; V81-R84 PolarHBondContact O-N 2.89Å; V81-E85 HydrophobicContact CG1-CG 4.45Å; V81-E85 PolarHBondContact O-N 3.48Å
82D83.4Confident84.7Confident51 Ų5176.3 Ų76.327%0.27337%0.366SS..Hα-helixtrans-48.7-46.9177.6-38.2-27.6000111.5M77 E78 N79 R84 E85 H86M77-D82 HydrophobicContact CB-CB 3.94Å; M77-D82 HydrophobicContact CG-CB 4.12Å; M77-D82 HydrophobicContact SD-CB 4.33Å; E78-D82 PolarHBondContact N-OD2 3.38Å; N79-D82 VanDerWaalsContact CG-CG 3.46Å; N79-D82 VanDerWaalsContact CG-OD1 3.25Å; N79-D82 PolarHBondContact N-OD2 3Å; N79-D82 PolarHBondContact ND2-OD1 2.93Å; N79-D82 PolarHBondContact ND2-OD2 3.38Å; N79-D82 PolarHBondContact OD1-N 3.44Å; N79-D82 PolarHBondContact OD1-OD1 3.06Å; D82-R84 VanDerWaalsContact C-N 3.28Å; D82-R84 PolarHBondContact O-N 2.71Å; D82-E85 PolarHBondContact O-N 2.83Å; D82-H86 WeakPolarHBondContact O-CB 3.31Å; D82-H86 PolarHBondContact O-N 3.23Å
83M81.7Confident84.8Confident42 Ų4276.2 Ų76.221%0.20737%0.365CS..Hα-helixtrans-56.5-40.5177.2176.2179.5-82.600112.8F68 M77 N79 V81 E85 F87F68-M83 HydrophobicContact CB-CE 4.01Å; F68-M83 HydrophobicContact CD1-CE 3.96Å; F68-M83 HydrophobicContact CD1-SD 4.35Å; F68-M83 HydrophobicContact CG-CE 4.49Å; M77-M83 HydrophobicContact CE-CB 4.09Å; M77-M83 HydrophobicContact CE-CE 4.32Å; M77-M83 HydrophobicContact CE-CG 4.32Å; M77-M83 VanDerWaalsContact SD-CA 3.54Å; M77-M83 HydrophobicContact SD-CB 4.24Å; N79-M83 PolarHBondContact O-N 2.93Å; V81-M83 PolarHBondContact O-N 3.03Å; V81-M83 VanDerWaalsContact O-N 3.16Å; M83-E85 VanDerWaalsContact C-N 3.32Å; M83-F87 HydrophobicContact CG-CD2 3.75Å; M83-F87 HydrophobicContact CG-CE2 3.33Å; M83-F87 HydrophobicContact CG-CZ 4.02Å; M83-F87 WeakPolarHBondContact O-CB 3.33Å; M83-F87 WeakPolarHBondContact O-CD2 3.29Å; M83-F87 VanDerWaalsContact O-CG 3.24Å; M83-F87 WeakPolarHBondContact O-CG 3.28Å; M83-F87 PolarHBondContact O-N 3.03Å; M83-F87 VanDerWaalsContact O-N 3.1Å; M83-F87 HydrophobicContact SD-CE2 3.88Å
84R83.9Confident84.8Confident143 Ų14375.8 Ų75.854%0.5436%0.362SS..Hα-helixtrans-80.1-13.2179.9-71.9175.5-67.5-154.5-1.3113A80 V81 D82 K88A80-R84 PolarHBondContact O-NE 3.36Å; A80-R84 PolarHBondContact O-NH2 2.67Å; A80-R84 VanDerWaalsContact O-NH2 3.14Å; V81-R84 CarbonylContact O-C 3.6Å; V81-R84 WeakPolarHBondContact O-CA 3.41Å; V81-R84 WeakPolarHBondContact O-CB 3.19Å; V81-R84 PolarHBondContact O-N 2.89Å; D82-R84 VanDerWaalsContact C-N 3.28Å; D82-R84 PolarHBondContact O-N 2.71Å; R84-K88 WeakPolarHBondContact O-CD 3.26Å; R84-K88 WeakPolarHBondContact O-CE 3.37Å; R84-K88 VanDerWaalsContact O-CG 3.26Å; R84-K88 WeakPolarHBondContact O-CG 3.3Å
85E85.7Confident85Confident119 Ų11967.8 Ų67.856%0.55633%0.325SS*.Hα-helixtrans-92.7-44.4172.3-62.3-164.7151.200110.9V81 D82 M83 F87 K88 S89V81-E85 HydrophobicContact CG1-CG 4.45Å; V81-E85 PolarHBondContact O-N 3.48Å; D82-E85 PolarHBondContact O-N 2.83Å; M83-E85 VanDerWaalsContact C-N 3.32Å; E85-F87 VanDerWaalsContact C-N 3.33Å; E85-F87 PolarHBondContact O-N 2.83Å; E85-K88 CarbonylContact O-C 3.53Å; E85-K88 WeakPolarHBondContact O-CA 3.47Å; E85-K88 WeakPolarHBondContact O-CB 3.36Å; E85-K88 PolarHBondContact O-N 3.36Å; E85-S89 PolarHBondContact O-N 3.3Å
86H91.2Very high85Confident14 Ų1467.4 Ų67.47%0.06532%0.322CS..Hα-helixtrans-53.2-47.8170.1176.467.8000111.8C70 L75 M77 D82 K88 S89 W91 H92C70-H86 WeakPolarHBondContact CB-NE2 3.16Å; C70-H86 PolarHBondContact SG-NE2 3.04Å; L75-H86 HydrophobicContact CD2-CB 4.42Å; M77-H86 HydrophobicContact SD-CB 3.64Å; D82-H86 WeakPolarHBondContact O-CB 3.31Å; D82-H86 PolarHBondContact O-N 3.23Å; H86-K88 PolarHBondContact O-N 2.95Å; H86-K88 VanDerWaalsContact O-N 3.11Å; H86-S89 WeakPolarHBondContact O-CB 3.34Å; H86-S89 PolarHBondContact O-N 3.49Å; H86-S89 PolarHBondContact O-OG 2.99Å; H86-W91 AromaticContact CE1-CE3 3.55Å; H86-W91 AromaticContact CE1-CZ3 3.5Å; H86-W91 VanDerWaalsContact CE1-CZ3 3.5Å; H86-W91 WeakPolarHBondContact CE1-CZ3 3.4Å; H86-W91 AromaticContact ND1-CE3 3.82Å; H86-W91 AromaticContact ND1-CZ3 3.85Å; H86-H92 AromaticContact CD2-ND1 3.82Å; H86-H92 AromaticContact CE1-ND1 3.86Å; H86-H92 AromaticContact NE2-CE1 3.97Å; H86-H92 AromaticContact NE2-CG 3.79Å; H86-H92 AromaticContact NE2-ND1 3.13Å; H86-H92 PolarHBondContact NE2-ND1 3.12Å; H86-H92 VanDerWaalsContact NE2-ND1 3.13Å; H86-H92 WeakPolarHBondContact O-CB 3.44Å
87F86.4Confident84.7Confident94 Ų9460.5 Ų60.541%0.41229%0.294SS..THydrogen-bonded Turntrans-67.6-7.3176.7-66.9-30.6000114.9C70 M83 E85 H92C70-F87 HydrophobicContact CB-CE1 4.35Å; M83-F87 HydrophobicContact CG-CD2 3.75Å; M83-F87 HydrophobicContact CG-CE2 3.33Å; M83-F87 HydrophobicContact CG-CZ 4.02Å; M83-F87 WeakPolarHBondContact O-CB 3.33Å; M83-F87 WeakPolarHBondContact O-CD2 3.29Å; M83-F87 VanDerWaalsContact O-CG 3.24Å; M83-F87 WeakPolarHBondContact O-CG 3.28Å; M83-F87 PolarHBondContact O-N 3.03Å; M83-F87 VanDerWaalsContact O-N 3.1Å; M83-F87 HydrophobicContact SD-CE2 3.88Å; E85-F87 VanDerWaalsContact C-N 3.33Å; E85-F87 PolarHBondContact O-N 2.83Å; F87-H92 AromaticContact CD1-CD2 3.93Å; F87-H92 AromaticContact CD1-CE1 3.58Å; F87-H92 AromaticContact CD1-NE2 3.44Å; F87-H92 WeakPolarHBondContact CD1-NE2 3.27Å; F87-H92 AromaticContact CE1-CE1 3.82Å
88K86.8Confident84.8Confident151 Ų15161 Ų6166%0.65730%0.295SS*.THydrogen-bonded Turntrans-101.8-13.8169.1-63.3168.2-169.2163.70113.1R84 E85 H86R84-K88 WeakPolarHBondContact O-CD 3.26Å; R84-K88 WeakPolarHBondContact O-CE 3.37Å; R84-K88 VanDerWaalsContact O-CG 3.26Å; R84-K88 WeakPolarHBondContact O-CG 3.3Å; E85-K88 CarbonylContact O-C 3.53Å; E85-K88 WeakPolarHBondContact O-CA 3.47Å; E85-K88 WeakPolarHBondContact O-CB 3.36Å; E85-K88 PolarHBondContact O-N 3.36Å; H86-K88 PolarHBondContact O-N 2.95Å; H86-K88 VanDerWaalsContact O-N 3.11Å
89S87.7Confident84.9Confident33 Ų3356 Ų5623%0.23128%0.279CS..SBendtrans-64.8146.1-174.570.50000112.4E85 H86 W91 H92 I93E85-S89 PolarHBondContact O-N 3.3Å; H86-S89 WeakPolarHBondContact O-CB 3.34Å; H86-S89 PolarHBondContact O-N 3.49Å; H86-S89 PolarHBondContact O-OG 2.99Å; S89-W91 PolarHBondContact O-N 2.97Å; S89-H92 PolarHBondContact O-N 3.48Å; S89-H92 WeakPolarHBondContact OG-CB 3.31Å; S89-H92 PolarHBondContact OG-N 3.31Å; S89-I93 WeakPolarHBondContact O-CG1 3.48Å; S89-I93 PolarHBondContact O-N 3.3Å; S89-I93 VanDerWaalsContact O-N 3.13Å
90E88.4Confident84.7Confident67 Ų6759.6 Ų59.631%0.31330%0.298SS..Hα-helixtrans-62.7-32.8176.8-63.8-164126.200112I93 C94 F111 R115E90-I93 PolarHBondContact O-N 3.12Å; E90-C94 VanDerWaalsContact O-CB 3.25Å; E90-C94 WeakPolarHBondContact O-CB 3.29Å; E90-C94 PolarHBondContact O-N 3.17Å; E90-F111 HydrophobicContact CB-CZ 3.83Å; E90-R115 IonicContact OE2-NE 3.5Å
91W90.3Very high85Confident18 Ų1864.2 Ų64.27%0.06831%0.309CS..Hα-helixtrans-57.6-48.2172.7-179.752.1000112.2C73 L75 H86 S89 C94 N95 L106 N107 F108 F111C73-W91 HydrophobicContact CB-CD2 4.48Å; C73-W91 HydrophobicContact CB-CE3 4.24Å; C73-W91 HydrophobicContact CB-CH2 3.59Å; C73-W91 HydrophobicContact CB-CZ2 3.84Å; C73-W91 HydrophobicContact CB-CZ3 3.8Å; C73-W91 WeakPolarHBondContact O-CH2 3.27Å; L75-W91 HydrophobicContact CB-CH2 4.31Å; L75-W91 HydrophobicContact CB-CZ3 4.21Å; L75-W91 HydrophobicContact CD1-CH2 4.46Å; L75-W91 HydrophobicContact CD1-CZ3 4.33Å; L75-W91 HydrophobicContact CD2-CZ3 4.2Å; L75-W91 HydrophobicContact CG-CZ3 4.47Å; H86-W91 AromaticContact CE1-CE3 3.55Å; H86-W91 AromaticContact CE1-CZ3 3.5Å; H86-W91 VanDerWaalsContact CE1-CZ3 3.5Å; H86-W91 WeakPolarHBondContact CE1-CZ3 3.4Å; H86-W91 AromaticContact ND1-CE3 3.82Å; H86-W91 AromaticContact ND1-CZ3 3.85Å; S89-W91 PolarHBondContact O-N 2.97Å; W91-C94 PolarHBondContact O-N 2.93Å; W91-N95 PolarHBondContact NE1-ND2 2.86Å; W91-N95 VanDerWaalsContact NE1-ND2 3.15Å; W91-N95 WeakPolarHBondContact O-CB 3.1Å; W91-N95 PolarHBondContact O-N 3.49Å; W91-L106 PolarHBondContact NE1-O 3.18Å; W91-L106 VanDerWaalsContact NE1-O 3.16Å; W91-N107 PolarHBondContact NE1-O 2.88Å; W91-F108 HydrophobicContact CD2-CD2 4.14Å; W91-F108 HydrophobicContact CE3-CD2 4.17Å; W91-F108 HydrophobicContact CZ2-CB 4.18Å; W91-F108 HydrophobicContact CZ3-CD2 4.49Å; W91-F111 HydrophobicContact CB-CD1 3.78Å; W91-F111 HydrophobicContact CB-CD2 4.39Å; W91-F111 HydrophobicContact CB-CE1 3.8Å; W91-F111 HydrophobicContact CB-CE2 4.4Å; W91-F111 HydrophobicContact CB-CG 4.09Å; W91-F111 HydrophobicContact CB-CZ 4.14Å; W91-F111 VanDerWaalsContact CD1-CB 3.48Å; W91-F111 AromaticContact CD1-CD1 3.88Å; W91-F111 AromaticContact CD1-CD2 3.99Å; W91-F111 AromaticContact CD1-CG 3.48Å; W91-F111 VanDerWaalsContact CD1-CG 3.48Å; W91-F111 HydrophobicContact CG-CB 4.46Å; W91-F111 HydrophobicContact CG-CD1 4.11Å; W91-F111 HydrophobicContact CG-CG 4.13Å
92H91.5Very high84.8Confident13 Ų1364 Ų646%0.0632%0.321CS..Hα-helixtrans-65-42.4178.3-173.472.5000112.2C70 C73 H86 F87 S89 N95 I96C70-H92 PolarHBondContact SG-CE1 3.25Å; C73-H92 PolarHBondContact SG-ND1 2.84Å; C73-H92 VanDerWaalsContact SG-ND1 3.38Å; H86-H92 AromaticContact CD2-ND1 3.82Å; H86-H92 AromaticContact CE1-ND1 3.86Å; H86-H92 AromaticContact NE2-CE1 3.97Å; H86-H92 AromaticContact NE2-CG 3.79Å; H86-H92 AromaticContact NE2-ND1 3.13Å; H86-H92 PolarHBondContact NE2-ND1 3.12Å; H86-H92 VanDerWaalsContact NE2-ND1 3.13Å; H86-H92 WeakPolarHBondContact O-CB 3.44Å; F87-H92 AromaticContact CD1-CD2 3.93Å; F87-H92 AromaticContact CD1-CE1 3.58Å; F87-H92 AromaticContact CD1-NE2 3.44Å; F87-H92 WeakPolarHBondContact CD1-NE2 3.27Å; F87-H92 AromaticContact CE1-CE1 3.82Å; S89-H92 PolarHBondContact O-N 3.48Å; S89-H92 WeakPolarHBondContact OG-CB 3.31Å; S89-H92 PolarHBondContact OG-N 3.31Å; H92-N95 PolarHBondContact O-N 3.46Å; H92-I96 WeakPolarHBondContact NE2-CD1 3.45Å; H92-I96 WeakPolarHBondContact O-CG1 3.4Å; H92-I96 PolarHBondContact O-N 2.97Å
93I87.6Confident84.5Confident57 Ų5767 Ų6729%0.29233%0.329SS..Hα-helixtrans-64.7-42177.8-64.8167000110.7S89 E90 I96 N97S89-I93 WeakPolarHBondContact O-CG1 3.48Å; S89-I93 PolarHBondContact O-N 3.3Å; S89-I93 VanDerWaalsContact O-N 3.13Å; E90-I93 PolarHBondContact O-N 3.12Å; I93-I96 PolarHBondContact O-N 3.38Å; I93-N97 PolarHBondContact O-N 2.86Å
94C86.5Confident84.3Confident2 Ų269.6 Ų69.61%0.01435%0.351CS..Hα-helixtrans-64.9-42.2177.1-166.30000111.5E90 W91 N97 R98 F111E90-C94 VanDerWaalsContact O-CB 3.25Å; E90-C94 WeakPolarHBondContact O-CB 3.29Å; E90-C94 PolarHBondContact O-N 3.17Å; W91-C94 PolarHBondContact O-N 2.93Å; C94-N97 PolarHBondContact O-N 2.79Å; C94-R98 WeakPolarHBondContact O-CG 3.32Å; C94-R98 PolarHBondContact O-N 3.24Å; C94-F111 HydrophobicContact CB-CD2 4.35Å; C94-F111 HydrophobicContact CB-CE2 4.09Å
95N87.8Confident84.2Confident0 Ų065.1 Ų65.10%034%0.34CS..Hα-helixtrans-69.1-32.8176.5-82.6-23.1000113.6I72 W91 H92 S99 P105 L106I72-N95 HydrophobicContact CG2-CB 4.07Å; W91-N95 PolarHBondContact NE1-ND2 2.86Å; W91-N95 VanDerWaalsContact NE1-ND2 3.15Å; W91-N95 WeakPolarHBondContact O-CB 3.1Å; W91-N95 PolarHBondContact O-N 3.49Å; H92-N95 PolarHBondContact O-N 3.46Å; N95-S99 VanDerWaalsContact O-CB 3.29Å; N95-S99 WeakPolarHBondContact O-CB 3.46Å; N95-S99 PolarHBondContact O-N 3.47Å; N95-P105 HydrophobicContact CB-CB 4.22Å; N95-P105 VanDerWaalsContact OD1-CA 3.31Å; N95-P105 WeakPolarHBondContact OD1-CA 3.25Å; N95-L106 PolarHBondContact ND2-O 3.25Å; N95-L106 PolarHBondContact OD1-N 3.07Å
96I84.2Confident84.1Confident54 Ų5459.9 Ų59.928%0.27732%0.316SS..Hα-helixtrans-58.7-50.9165.5-78.3170.1000110.4I72 H92 I93 R98 S99 L100I72-I96 HydrophobicContact CD1-CD1 4.41Å; I72-I96 HydrophobicContact CD1-CG1 3.66Å; H92-I96 WeakPolarHBondContact NE2-CD1 3.45Å; H92-I96 WeakPolarHBondContact O-CG1 3.4Å; H92-I96 PolarHBondContact O-N 2.97Å; I93-I96 PolarHBondContact O-N 3.38Å; I96-R98 PolarHBondContact O-N 2.88Å; I96-S99 PolarHBondContact O-N 3.25Å; I96-L100 HydrophobicContact CG2-CD1 3.71Å; I96-L100 HydrophobicContact CG2-CG 4.32Å; I96-L100 WeakPolarHBondContact O-CB 3.4Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.33Å; I96-L100 PolarHBondContact O-N 3.05Å
97N79.4Confident83.9Confident42 Ų4263.2 Ų63.223%0.22533%0.334CS..Hα-helixtrans-64.8-38.3-176.3-73-20.1000112.4I93 C94 R101 S140I93-N97 PolarHBondContact O-N 2.86Å; C94-N97 PolarHBondContact O-N 2.79Å; N97-R101 WeakPolarHBondContact O-CG 3.39Å; N97-R101 PolarHBondContact O-N 2.79Å; N97-S140 WeakPolarHBondContact CB-OG 3.34Å; N97-S140 PolarHBondContact ND2-OG 2.95Å
98R87.2Confident83.8Confident37 Ų3763.9 Ų63.914%0.1434%0.337CS..Hα-helixtrans-62.7-49.5172.3-76-179.866.795.6-5.3111.7C94 I96 L100 R101 G102 Y103 C104C94-R98 WeakPolarHBondContact O-CG 3.32Å; C94-R98 PolarHBondContact O-N 3.24Å; I96-R98 PolarHBondContact O-N 2.88Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.05Å; R98-R101 CarbonylContact O-C 3.6Å; R98-R101 PolarHBondContact O-N 3.42Å; R98-G102 PolarHBondContact O-N 3.44Å; R98-Y103 CarbonylContact C-O 3.59Å; R98-Y103 PolarHBondContact O-N 2.85Å; R98-C104 VanDerWaalsContact CZ-O 3.3Å; R98-C104 PolarHBondContact NE-O 3.38Å; R98-C104 PolarHBondContact NH2-O 3.47Å
99S76.7Confident83.6Confident71 Ų7161.8 Ų61.850%0.49733%0.333SS..Hα-helixtrans-60.4-38.8177.8-176.80000112.7N95 I96 R101 G102N95-S99 VanDerWaalsContact O-CB 3.29Å; N95-S99 WeakPolarHBondContact O-CB 3.46Å; N95-S99 PolarHBondContact O-N 3.47Å; I96-S99 PolarHBondContact O-N 3.25Å; S99-R101 PolarHBondContact O-N 2.82Å; S99-G102 PolarHBondContact O-N 3.2Å
100L74.5Confident83.3Confident139 Ų13963.9 Ų63.973%0.72834%0.341SS*.Hα-helixtrans-66.5-21174.9-73.8172.4000114I96 R98I96-L100 HydrophobicContact CG2-CD1 3.71Å; I96-L100 HydrophobicContact CG2-CG 4.32Å; I96-L100 WeakPolarHBondContact O-CB 3.4Å; I96-L100 VanDerWaalsContact O-CG 3.31Å; I96-L100 WeakPolarHBondContact O-CG 3.33Å; I96-L100 PolarHBondContact O-N 3.05Å; R98-L100 VanDerWaalsContact C-N 3.32Å; R98-L100 PolarHBondContact O-N 3.05Å
101R80.9Confident83.3Confident129 Ų12961 Ų6149%0.48733%0.327SS..Hα-helixtrans-98.4-4.7175.6-65.3177.2-166.4-155.29113.3N97 R98 S99 Y103 S140 E144N97-R101 WeakPolarHBondContact O-CG 3.39Å; N97-R101 PolarHBondContact O-N 2.79Å; R98-R101 CarbonylContact O-C 3.6Å; R98-R101 PolarHBondContact O-N 3.42Å; S99-R101 PolarHBondContact O-N 2.82Å; R101-Y103 HydrophobicContact CB-CD2 3.69Å; R101-Y103 HydrophobicContact CB-CE2 3.77Å; R101-S140 VanDerWaalsContact CZ-O 3.28Å; R101-S140 PolarHBondContact NH1-O 3.43Å; R101-S140 VanDerWaalsContact NH1-O 3.15Å; R101-S140 PolarHBondContact NH2-O 2.72Å; R101-E144 VanDerWaalsContact CD-OE1 3.23Å; R101-E144 WeakPolarHBondContact CD-OE1 3.16Å; R101-E144 IonicContact CZ-OE1 2.8Å; R101-E144 IonicContact CZ-OE2 3.98Å; R101-E144 IonicContact NE-OE1 2.69Å; R101-E144 IonicContact NH1-OE1 2.6Å; R101-E144 PolarHBondContact NH1-OE1 3.35Å; R101-E144 IonicContact NH1-OE2 3.76Å; R101-E144 PolarHBondContact NH1-OE2 3.07Å
102G78.2Confident83Confident68 Ų6862.1 Ų62.170%0.70133%0.334SS*.THydrogen-bonded Turntrans93.22.3179.900000115.3R98 S99R98-G102 PolarHBondContact O-N 3.44Å; S99-G102 PolarHBondContact O-N 3.2Å
103Y77.2Confident82.4Confident114 Ų11464.5 Ų64.545%0.44735%0.349SS..PPolyproline II helixtrans-82.2148.5179-60-67.5000112.6R98 R101R98-Y103 CarbonylContact C-O 3.59Å; R98-Y103 PolarHBondContact O-N 2.85Å; R101-Y103 HydrophobicContact CB-CD2 3.69Å; R101-Y103 HydrophobicContact CB-CE2 3.77Å
104C78.2Confident82Confident97 Ų9762.6 Ų62.666%0.65534%0.339SS*.PPolyproline II helixtrans-59.4137171.8-169.10000111R98R98-C104 VanDerWaalsContact CZ-O 3.3Å; R98-C104 PolarHBondContact NE-O 3.38Å; R98-C104 PolarHBondContact NH2-O 3.47Å
105P81.1Confident81.7Confident49 Ų4967.1 Ų67.132%0.31836%0.356SS..PPolyproline II helixtrans-62144.7173.326.9-35.4000111.8I72 N95I72-P105 WeakPolarHBondContact O-CB 3.37Å; N95-P105 HydrophobicContact CB-CB 4.22Å; N95-P105 VanDerWaalsContact OD1-CA 3.31Å; N95-P105 WeakPolarHBondContact OD1-CA 3.25Å
106L83.4Confident81.2Confident9 Ų972 Ų725%0.04738%0.379CS..PPolyproline II helixtrans-74.5143.2170.8-56.7168.9000109.4W91 N95 L110 F111 L114W91-L106 PolarHBondContact NE1-O 3.18Å; W91-L106 VanDerWaalsContact NE1-O 3.16Å; N95-L106 PolarHBondContact ND2-O 3.25Å; N95-L106 PolarHBondContact OD1-N 3.07Å; L106-L110 HydrophobicContact CD2-CD2 3.77Å; L106-L110 HydrophobicContact CD2-CG 4.21Å; L106-F111 HydrophobicContact CB-CB 4.39Å; L106-F111 HydrophobicContact CD1-CB 4.33Å; L106-F111 HydrophobicContact CD1-CD2 4.46Å; L106-L114 HydrophobicContact CD1-CD1 3.98Å; L106-L114 HydrophobicContact CD2-CD1 4.15Å
107N86.9Confident80.6Confident84 Ų8473 Ų7345%0.44938%0.382SS..  trans-66.2-178.1160.768.5-13.3000110W91 D109 L110W91-N107 PolarHBondContact NE1-O 2.88Å; N107-D109 PolarHBondContact ND2-OD2 3.35Å; N107-D109 VanDerWaalsContact ND2-OD2 3.1Å; N107-L110 WeakPolarHBondContact OD1-CB 3.37Å; N107-L110 PolarHBondContact OD1-N 2.63Å
108F85.3Confident79.9Confident108 Ų10873.7 Ų73.747%0.47438%0.384SS..Hα-helixtrans-71.7-47.4-179.8-174.2-101.6000111.1W91 L110 F111 E112W91-F108 HydrophobicContact CD2-CD2 4.14Å; W91-F108 HydrophobicContact CE3-CD2 4.17Å; W91-F108 HydrophobicContact CZ2-CB 4.18Å; W91-F108 HydrophobicContact CZ3-CD2 4.49Å; F108-L110 PolarHBondContact O-N 3.14Å; F108-F111 WeakPolarHBondContact O-CB 2.97Å; F108-F111 PolarHBondContact O-N 3.38Å; F108-F111 VanDerWaalsContact O-N 3.12Å; F108-E112 WeakPolarHBondContact CZ-OE2 3.47Å; F108-E112 PolarHBondContact O-N 3.2Å
109D82.4Confident78.9Confident106 Ų10677.1 Ų77.157%0.56740%0.404SS*.Hα-helixtrans-62-47.8-172-37-69.5000112.2N107 F111 E112 T113N107-D109 PolarHBondContact ND2-OD2 3.35Å; N107-D109 VanDerWaalsContact ND2-OD2 3.1Å; D109-F111 VanDerWaalsContact C-N 3.28Å; D109-F111 PolarHBondContact O-N 3.07Å; D109-E112 WeakPolarHBondContact O-CB 3.37Å; D109-E112 PolarHBondContact O-N 3.39Å; D109-E112 VanDerWaalsContact O-N 3.09Å; D109-T113 PolarHBondContact O-N 2.67Å; D109-T113 PolarHBondContact O-OG1 2.96Å; D109-T113 VanDerWaalsContact O-OG1 3.11Å
110L81.2Confident78Confident77 Ų7780 Ų8040%0.40341%0.409SS..Hα-helixtrans-67.4-28.7178.3-172.762.2000112.3L106 N107 F108 L114L106-L110 HydrophobicContact CD2-CD2 3.77Å; L106-L110 HydrophobicContact CD2-CG 4.21Å; N107-L110 WeakPolarHBondContact OD1-CB 3.37Å; N107-L110 PolarHBondContact OD1-N 2.63Å; F108-L110 PolarHBondContact O-N 3.14Å; L110-L114 HydrophobicContact CG-CD1 4.13Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 WeakPolarHBondContact O-CD1 3.44Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.78Å; L110-L114 VanDerWaalsContact O-N 3.09Å
111F88.4Confident76.9Confident6 Ų679.2 Ų79.23%0.02641%0.405CS..Hα-helixtrans-69.1-39.3171.4168.6-93000111.3E90 W91 C94 L106 F108 D109 R115 L139E90-F111 HydrophobicContact CB-CZ 3.83Å; W91-F111 HydrophobicContact CB-CD1 3.78Å; W91-F111 HydrophobicContact CB-CD2 4.39Å; W91-F111 HydrophobicContact CB-CE1 3.8Å; W91-F111 HydrophobicContact CB-CE2 4.4Å; W91-F111 HydrophobicContact CB-CG 4.09Å; W91-F111 HydrophobicContact CB-CZ 4.14Å; W91-F111 VanDerWaalsContact CD1-CB 3.48Å; W91-F111 AromaticContact CD1-CD1 3.88Å; W91-F111 AromaticContact CD1-CD2 3.99Å; W91-F111 AromaticContact CD1-CG 3.48Å; W91-F111 VanDerWaalsContact CD1-CG 3.48Å; W91-F111 HydrophobicContact CG-CB 4.46Å; W91-F111 HydrophobicContact CG-CD1 4.11Å; W91-F111 HydrophobicContact CG-CG 4.13Å; C94-F111 HydrophobicContact CB-CD2 4.35Å; C94-F111 HydrophobicContact CB-CE2 4.09Å; L106-F111 HydrophobicContact CB-CB 4.39Å; L106-F111 HydrophobicContact CD1-CB 4.33Å; L106-F111 HydrophobicContact CD1-CD2 4.46Å; F108-F111 WeakPolarHBondContact O-CB 2.97Å; F108-F111 PolarHBondContact O-N 3.38Å; F108-F111 VanDerWaalsContact O-N 3.12Å; D109-F111 VanDerWaalsContact C-N 3.28Å; D109-F111 PolarHBondContact O-N 3.07Å; F111-R115 WeakPolarHBondContact O-CB 3.47Å; F111-R115 PolarHBondContact O-N 2.92Å; F111-L139 HydrophobicContact CE2-CD2 3.87Å; F111-L139 HydrophobicContact CZ-CD2 4.2Å
112E83.6Confident75.6Confident43 Ų4377.8 Ų77.820%0.20141%0.411CS..Hα-helixtrans-65.8-42.1176.7-143.663.1-130.100111.1F108 D109 R115 Q116F108-E112 WeakPolarHBondContact CZ-OE2 3.47Å; F108-E112 PolarHBondContact O-N 3.2Å; D109-E112 WeakPolarHBondContact O-CB 3.37Å; D109-E112 PolarHBondContact O-N 3.39Å; D109-E112 VanDerWaalsContact O-N 3.09Å; E112-R115 WeakPolarHBondContact O-CB 3.44Å; E112-R115 PolarHBondContact O-N 2.81Å; E112-R115 IonicContact OE1-CZ 2.92Å; E112-R115 IonicContact OE1-NH1 2.86Å; E112-R115 PolarHBondContact OE1-NH1 3.34Å; E112-Q116 VanDerWaalsContact O-CG 3.31Å; E112-Q116 WeakPolarHBondContact O-CG 3.31Å; E112-Q116 PolarHBondContact O-N 3.44Å
113T80.6Confident74.2Confident62 Ų6278.2 Ų78.238%0.3840%0.403SS..Hα-helixtrans-59.8-53.8173.5-47.40000112.1D109 R115 Q116 E117D109-T113 PolarHBondContact O-N 2.67Å; D109-T113 PolarHBondContact O-OG1 2.96Å; D109-T113 VanDerWaalsContact O-OG1 3.11Å; T113-R115 PolarHBondContact O-N 2.85Å; T113-R115 VanDerWaalsContact O-N 3.12Å; T113-Q116 PolarHBondContact O-N 2.9Å; T113-E117 WeakPolarHBondContact O-CG 3.27Å; T113-E117 PolarHBondContact O-N 3.42Å
114L78.8Confident72.6Confident17 Ų1779.6 Ų79.69%0.08942%0.418CS..Hα-helixtrans-62.6-21.2178.7-70.9166.9000113.1L106 L110 K118 I143L106-L114 HydrophobicContact CD1-CD1 3.98Å; L106-L114 HydrophobicContact CD2-CD1 4.15Å; L110-L114 HydrophobicContact CG-CD1 4.13Å; L110-L114 WeakPolarHBondContact O-CB 3.47Å; L110-L114 WeakPolarHBondContact O-CD1 3.44Å; L110-L114 WeakPolarHBondContact O-CG 3.37Å; L110-L114 PolarHBondContact O-N 2.78Å; L110-L114 VanDerWaalsContact O-N 3.09Å; L114-K118 WeakPolarHBondContact O-CB 3.45Å; L114-I143 HydrophobicContact CB-CD1 4.37Å; L114-I143 HydrophobicContact CB-CG1 4.35Å; L114-I143 HydrophobicContact CD1-CD1 4.42Å; L114-I143 HydrophobicContact CD1-CG1 4.33Å; L114-I143 HydrophobicContact CD1-CG2 3.84Å
115R79.7Confident70.8Confident97 Ų9783.3 Ų83.337%0.36642%0.423SS..Hα-helixtrans-81.8-39.3174-179.3-177.7-175.3-128.1-4.1111.5E90 F111 E112 T113 K118 I119E90-R115 IonicContact OE2-NE 3.5Å; F111-R115 WeakPolarHBondContact O-CB 3.47Å; F111-R115 PolarHBondContact O-N 2.92Å; E112-R115 WeakPolarHBondContact O-CB 3.44Å; E112-R115 PolarHBondContact O-N 2.81Å; E112-R115 IonicContact OE1-CZ 2.92Å; E112-R115 IonicContact OE1-NH1 2.86Å; E112-R115 PolarHBondContact OE1-NH1 3.34Å; T113-R115 PolarHBondContact O-N 2.85Å; T113-R115 VanDerWaalsContact O-N 3.12Å; R115-K118 PolarHBondContact O-N 3.21Å; R115-I119 WeakPolarHBondContact O-CG1 3.24Å; R115-I119 PolarHBondContact O-N 3.45Å
116Q76.3Confident68.4Low103 Ų10388.3 Ų88.348%0.48145%0.448SS..Hα-helixtrans-67.5-48.9175.5-73.9165.8-29.100111.6E112 T113 K118 I119 E120E112-Q116 VanDerWaalsContact O-CG 3.31Å; E112-Q116 WeakPolarHBondContact O-CG 3.31Å; E112-Q116 PolarHBondContact O-N 3.44Å; T113-Q116 PolarHBondContact O-N 2.9Å; Q116-K118 PolarHBondContact O-N 3.46Å; Q116-K118 VanDerWaalsContact O-N 3.12Å; Q116-I119 WeakPolarHBondContact O-CB 3.16Å; Q116-I119 PolarHBondContact O-N 2.91Å; Q116-E120 PolarHBondContact O-N 3.46Å
117E72.7Confident66.2Low75 Ų7594.3 Ų94.335%0.3548%0.484SS..Hα-helixtrans-49.4-41.7172.2-73.6175.9-169.800111.6T113 E120 N121T113-E117 WeakPolarHBondContact O-CG 3.27Å; T113-E117 PolarHBondContact O-N 3.42Å; E117-E120 PolarHBondContact O-N 2.88Å; E117-N121 WeakPolarHBondContact O-CB 3.3Å; E117-N121 PolarHBondContact O-N 2.71Å; E117-N121 PolarHBondContact O-ND2 3.21Å
118K64.7Low63.6Low57 Ų5796.2 Ų96.225%0.24850%0.499CS..Hα-helixtrans-74.3-24.2-179.6-172.5173.1174.5-172.10113.7L114 R115 Q116 V122 S138 L139L114-K118 WeakPolarHBondContact O-CB 3.45Å; R115-K118 PolarHBondContact O-N 3.21Å; Q116-K118 PolarHBondContact O-N 3.46Å; Q116-K118 VanDerWaalsContact O-N 3.12Å; K118-V122 WeakPolarHBondContact O-CG2 3.07Å; K118-S138 PolarHBondContact NZ-O 2.82Å; K118-S138 PolarHBondContact NZ-OG 2.78Å; K118-L139 HydrophobicContact CD-CG 4.32Å
119I66.3Low61.1Low109 Ų10997.7 Ų97.756%0.55951%0.512SS*.Hα-helixtrans-74-47.3172.1-69.5163.1000109.2R115 Q116 N121 V122R115-I119 WeakPolarHBondContact O-CG1 3.24Å; R115-I119 PolarHBondContact O-N 3.45Å; Q116-I119 WeakPolarHBondContact O-CB 3.16Å; Q116-I119 PolarHBondContact O-N 2.91Å; I119-N121 PolarHBondContact O-N 3.14Å; I119-V122 PolarHBondContact O-N 3.13Å; I119-V122 VanDerWaalsContact O-N 3.14Å
120E57.6Low59.1Low132 Ų132102 Ų10262%0.61753%0.529SS*.Hα-helixtrans-62.2-44.6-179.3-67.5172.2177.200111.6Q116 E117 V122 S123Q116-E120 PolarHBondContact O-N 3.46Å; E117-E120 PolarHBondContact O-N 2.88Å; E120-V122 PolarHBondContact O-N 3.09Å; E120-V122 VanDerWaalsContact O-N 3.12Å; E120-S123 WeakPolarHBondContact O-CB 3.39Å; E120-S123 PolarHBondContact O-N 3.5Å; E120-S123 PolarHBondContact O-OG 2.82Å
121N51Low56.7Low121 Ų121106.2 Ų106.265%0.64756%0.557SS**THydrogen-bonded Turntrans-69.5-2.3176.6-80.8-84.5000115.4E117 I119E117-N121 WeakPolarHBondContact O-CB 3.3Å; E117-N121 PolarHBondContact O-N 2.71Å; E117-N121 PolarHBondContact O-ND2 3.21Å; I119-N121 PolarHBondContact O-N 3.14Å
122V53.3Low53.9Low100 Ų100109.1 Ų109.161%0.60659%0.589SS**THydrogen-bonded Turntrans-99.2-17176.51650000112.4K118 I119 E120 D124K118-V122 WeakPolarHBondContact O-CG2 3.07Å; I119-V122 PolarHBondContact O-N 3.13Å; I119-V122 VanDerWaalsContact O-N 3.14Å; E120-V122 PolarHBondContact O-N 3.09Å; E120-V122 VanDerWaalsContact O-N 3.12Å; V122-D124 VanDerWaalsContact C-N 3.28Å; V122-D124 PolarHBondContact O-N 2.93Å
123S48.4Very low51.4Low77 Ų77116.2 Ų116.254%0.53862%0.624SS.*THydrogen-bonded Turntrans-55.8-37.5179.8-40.50000113.9E120 K125E120-S123 WeakPolarHBondContact O-CB 3.39Å; E120-S123 PolarHBondContact O-N 3.5Å; E120-S123 PolarHBondContact O-OG 2.82Å; S123-K125 PolarHBondContact O-N 3.08Å
124D45.6Very low49.1Very low142 Ų142118.2 Ų118.276%0.75964%0.641SS**THydrogen-bonded Turntrans-87.74.5-164.9-67.9-21000115V122V122-D124 VanDerWaalsContact C-N 3.28Å; V122-D124 PolarHBondContact O-N 2.93Å
125K39.1Very low47Very low176 Ų176122.1 Ų122.177%0.76567%0.667SS**  trans-121.762.2-173-72.7175.2-176.6161.70113S123 T127S123-K125 PolarHBondContact O-N 3.08Å; K125-T127 PolarHBondContact O-N 2.94Å; K125-T127 VanDerWaalsContact O-N 3.08Å
126N31.6Very low45.1Very low154 Ų154120 Ų12082%0.82467%0.667SS**  trans-63.5101.9166.2-76.5-50.1000111.1
127T35.9Very low43.4Very low134 Ų134121.8 Ų121.882%0.82268%0.68SS**  trans-143.8126.9159.5-44.70000108.4K125K125-T127 PolarHBondContact O-N 2.94Å; K125-T127 VanDerWaalsContact O-N 3.08Å
128V33.2Very low41.9Very low125 Ų125120.8 Ų120.876%0.75868%0.681SS**  trans-80.3168.7-170.6-172.40000110.4
129D32.9Very low41.1Very low138 Ų138119 Ų11974%0.73867%0.674SS**  trans73.576.6172.3-60.1-39000118.7
130Q40.1Very low40.1Very low198 Ų198114.4 Ų114.493%0.92565%0.652SS**  -171115.1111.5-101.5152.6102.500113.5
131V31.8Very low39.6Very low164 Ų164111.6 Ų111.699%0.99465%0.646SS**  trans-86.5116175.7178.70000110.8
132G29.1Very low39.4Very low67 Ų67109.3 Ų109.369%0.69164%0.637SS**  trans132.273.2153.100000118.4
133M31.3Very low39.2Very low192 Ų192105.4 Ų105.495%0.94661%0.613SS**  trans-156.7154.2150.4-109.4155.767.400110.8
134S31.2Very low39.3Very low104 Ų104105.7 Ų105.773%0.72761%0.606SS**  trans-77.6149.1-162.8-51.10000114.8S136S134-S136 PolarHBondContact O-N 3.02Å
135P35.3Very low39.2Very low100 Ų100103 Ų10365%0.64960%0.597SS**G310 helixtrans-74.8-26.7-165.8-18.332.9000116.4N137 S138P135-N137 VanDerWaalsContact C-N 3.29Å; P135-N137 PolarHBondContact O-N 3.49Å; P135-N137 VanDerWaalsContact O-N 3.07Å; P135-S138 PolarHBondContact O-N 3.28Å; P135-S138 PolarHBondContact O-OG 3.43Å
136S40Very low39.4Very low51 Ų5199.8 Ų99.836%0.35759%0.589SS.*G310 helixtrans-71.5-8.6-153.2510000116.9S134S134-S136 PolarHBondContact O-N 3.02Å
137N40Very low40.1Very low142 Ų14295.6 Ų95.676%0.75957%0.566SS**G310 helixtrans-87-8.9177.3-81.1-14.1000114P135P135-N137 VanDerWaalsContact C-N 3.29Å; P135-N137 PolarHBondContact O-N 3.49Å; P135-N137 VanDerWaalsContact O-N 3.07Å
138S41.6Very low39.9Very low53 Ų5396 Ų9637%0.37156%0.563SS.*SBendtrans-92.4-9.6-166.969.20000116K118 P135K118-S138 PolarHBondContact NZ-O 2.82Å; K118-S138 PolarHBondContact NZ-OG 2.78Å; P135-S138 PolarHBondContact O-N 3.28Å; P135-S138 PolarHBondContact O-OG 3.43Å
139L47.1Very low40Very low20 Ų2096.1 Ų96.111%0.10556%0.559CS.*SBendtrans-77.5-40.5-179.4-84.176.9000111.9F111 K118 S141 T142 I143F111-L139 HydrophobicContact CE2-CD2 3.87Å; F111-L139 HydrophobicContact CZ-CD2 4.2Å; K118-L139 HydrophobicContact CD-CG 4.32Å; L139-S141 PolarHBondContact O-N 2.98Å; L139-T142 PolarHBondContact O-N 2.91Å; L139-I143 HydrophobicContact CB-CD1 4.39Å
140S47Very low39.9Very low12 Ų1296.4 Ų96.48%0.08456%0.561CS.*THydrogen-bonded Turntrans-77.414.3-171.6-490000115.6N97 R101N97-S140 WeakPolarHBondContact CB-OG 3.34Å; N97-S140 PolarHBondContact ND2-OG 2.95Å; R101-S140 VanDerWaalsContact CZ-O 3.28Å; R101-S140 PolarHBondContact NH1-O 3.43Å; R101-S140 VanDerWaalsContact NH1-O 3.15Å; R101-S140 PolarHBondContact NH2-O 2.72Å
141S45.4Very low39.4Very low73 Ų7394.6 Ų94.651%0.5156%0.557SS.*THydrogen-bonded Turntrans-123.8-5.1177.354.50000114L139L139-S141 PolarHBondContact O-N 2.98Å
142T47.1Very low39.3Very low74 Ų7492.6 Ų92.645%0.45455%0.549SS..THydrogen-bonded Turntrans-121.6-25.2-175-480000111.8L139 E144 S145L139-T142 PolarHBondContact O-N 2.91Å; T142-E144 PolarHBondContact O-N 2.78Å; T142-S145 PolarHBondContact O-N 3.13Å; T142-S145 PolarHBondContact O-OG 2.8Å; T142-S145 VanDerWaalsContact O-OG 3.12Å
143I50.2Low39.3Very low17 Ų1796.7 Ų96.79%0.08756%0.555CS.*THydrogen-bonded Turntrans-64-8.2167.4-65.7168.1000111.9L114 L139L114-I143 HydrophobicContact CB-CD1 4.37Å; L114-I143 HydrophobicContact CB-CG1 4.35Å; L114-I143 HydrophobicContact CD1-CD1 4.42Å; L114-I143 HydrophobicContact CD1-CG1 4.33Å; L114-I143 HydrophobicContact CD1-CG2 3.84Å; L139-I143 HydrophobicContact CB-CD1 4.39Å
144E49.1Very low39.1Very low84 Ų8495.5 Ų95.539%0.39355%0.553SS.*THydrogen-bonded Turntrans-86.9-6.5-177.3-62.1-179.4128.900114.1R101 T142R101-E144 VanDerWaalsContact CD-OE1 3.23Å; R101-E144 WeakPolarHBondContact CD-OE1 3.16Å; R101-E144 IonicContact CZ-OE1 2.8Å; R101-E144 IonicContact CZ-OE2 3.98Å; R101-E144 IonicContact NE-OE1 2.69Å; R101-E144 IonicContact NH1-OE1 2.6Å; R101-E144 PolarHBondContact NH1-OE1 3.35Å; R101-E144 IonicContact NH1-OE2 3.76Å; R101-E144 PolarHBondContact NH1-OE2 3.07Å; T142-E144 PolarHBondContact O-N 2.78Å
145S44.2Very low38.8Very low84 Ų8493.9 Ų93.959%0.58755%0.553SS**SBendtrans-103.9-16.7-179.656.40000115.8T142T142-S145 PolarHBondContact O-N 3.13Å; T142-S145 PolarHBondContact O-OG 2.8Å; T142-S145 VanDerWaalsContact O-OG 3.12Å
146N43.1Very low38.4Very low110 Ų11095.5 Ų95.559%0.58856%0.561SS**SBendtrans-111.116.4-165.2-66.722.1000114.2
147I46.2Very low37.7Very low65 Ų6598.9 Ų98.933%0.33359%0.585SS.*  trans-129.386.4177.4-50-179.1000109.5N149I147-N149 WeakPolarHBondContact CG2-ND2 3.32Å; I147-N149 PolarHBondContact O-N 3.13Å; I147-N149 VanDerWaalsContact O-N 3.1Å; I147-N149 PolarHBondContact O-ND2 3.14Å
148D31.8Very low37.1Very low143 Ų14396.4 Ų96.477%0.76558%0.578SS**  trans-64.8104.1166-79.6-37.3000109.2N150D148-N150 PolarHBondContact O-N 3.11Å
149N36.7Very low36.5Very low128 Ų128102.4 Ų102.468%0.68461%0.606SS**  trans-80.842.1-179.6-74.6-93.4000112I147 N151I147-N149 WeakPolarHBondContact CG2-ND2 3.32Å; I147-N149 PolarHBondContact O-N 3.13Å; I147-N149 VanDerWaalsContact O-N 3.1Å; I147-N149 PolarHBondContact O-ND2 3.14Å; N149-N151 PolarHBondContact O-N 2.89Å
150N29.8Very low35.5Very low144 Ų144107 Ų10777%0.7764%0.635SS**  trans-82.846.1177-70.4-30.3000111.8D148D148-N150 PolarHBondContact O-N 3.11Å
151N29.9Very low34.9Very low159 Ų159112.2 Ų112.285%0.8567%0.666SS**  trans-158.863.3175.1-135.8-19.7000113.9N149N149-N151 PolarHBondContact O-N 2.89Å
152C30.4Very low34.5Very low122 Ų122114.9 Ų114.982%0.82468%0.68SS**  trans-144.128.716464.20000113.5
153D27.3Very low34.6Very low153 Ų153115.4 Ų115.482%0.81868%0.68SS**  trans-96.599.1174.3-141.6-13000109.4
154N27.6Very low35Very low168 Ų168116.6 Ų116.690%0.89869%0.69SS**  trans-176.4117.1160.4-105-51.8000111.2
155G25.4Very low35.6Very low70 Ų70113.6 Ų113.672%0.72268%0.678SS**SBendtrans112.5115.9160.600000117.1
156T27.1Very low36.7Very low133 Ų133109.8 Ų109.882%0.81665%0.651SS**  trans71.182.3154.2-46.60000117.7S158T156-S158 PolarHBondContact O-N 2.72Å
157S25.7Very low37.5Very low123 Ų123107.6 Ų107.686%0.8664%0.642SS**  trans-55.1112.4157.5-42.50000111.6
158S27.5Very low37.8Very low89 Ų89107 Ų10762%0.62265%0.647SS**  trans-161116.9165.2-87.80000113.3T156 T160T156-S158 PolarHBondContact O-N 2.72Å; S158-T160 PolarHBondContact O-N 3.43Å; S158-T160 PolarHBondContact O-OG1 3Å
159N27.1Very low39Very low179 Ų179101.4 Ų101.496%0.95762%0.619SS**  trans-62.4100.7176.1-73.1-37.6000111.4
160T26.6Very low39.8Very low117 Ų11798.4 Ų98.472%0.71861%0.608SS**  trans-118.9105.8177.539.80000111.1S158 T162S158-T160 PolarHBondContact O-N 3.43Å; S158-T160 PolarHBondContact O-OG1 3Å; T160-T162 PolarHBondContact O-N 2.86Å
161V35.3Very low41.1Very low121 Ų12199.7 Ų99.773%0.73361%0.609SS**  trans-65115177.4178.30000109.3N163V161-N163 PolarHBondContact O-N 2.87Å
162T36.4Very low42.7Very low130 Ų13094.6 Ų94.680%0.79858%0.579SS**  trans-74.376.6-179.443.50000111.5T160 S164T160-T162 PolarHBondContact O-N 2.86Å; T162-S164 PolarHBondContact O-N 2.78Å
163N48.9Very low44.8Very low84 Ų8494 Ų9445%0.44956%0.564SS.*  trans-50.7112.9178.4-81.9-39.4000111.1T40 V161 S165T40-N163 HydrophobicContact CG2-CB 3.72Å; V161-N163 PolarHBondContact O-N 2.87Å; N163-S165 PolarHBondContact O-N 3.24Å
164S58.5Low47.4Very low42 Ų4288.2 Ų88.229%0.29453%0.533SS..EExtended strand (participates in β ladder)trans-72.2122.4-179.9-58.60000109.3E39 T40 T162 L166E39-S164 CarbonylContact C-O 3.58Å; E39-S164 WeakPolarHBondContact CA-O 3.45Å; E39-S164 VanDerWaalsContact CB-O 3.25Å; E39-S164 WeakPolarHBondContact CB-O 3.14Å; T40-S164 PolarHBondContact N-O 3.14Å; T40-S164 VanDerWaalsContact N-O 3.11Å; T162-S164 PolarHBondContact O-N 2.78Å; S164-L166 PolarHBondContact O-N 2.85Å
165S62.4Low50.3Low22 Ų2280.3 Ų80.315%0.15449%0.49CS..EExtended strand (participates in β ladder)trans-52.1138.7169.1168.30000110T40 S42 N163 T167 A168T40-S165 CarbonylContact O-C 3.51Å; T40-S165 WeakPolarHBondContact O-CA 3.41Å; S42-S165 PolarHBondContact OG-OG 3.39Å; N163-S165 PolarHBondContact O-N 3.24Å; S165-T167 PolarHBondContact O-N 3.08Å; S165-T167 PolarHBondContact OG-N 3.15Å; S165-T167 VanDerWaalsContact OG-N 3.13Å; S165-T167 PolarHBondContact OG-OG1 2.7Å; S165-A168 WeakPolarHBondContact O-CA 3.28Å; S165-A168 WeakPolarHBondContact O-CB 3.44Å; S165-A168 PolarHBondContact O-N 2.87Å
166L66Low53.3Low4 Ų477.8 Ų77.82%0.02146%0.46CS..THydrogen-bonded Turntrans-50-30.3170.6-79.5155.8000111.5L36 E39 T40 F41 S164 A168 L175 R189 F193L36-L166 HydrophobicContact CD2-CD1 3.76Å; L36-L166 HydrophobicContact CD2-CD2 4.07Å; L36-L166 HydrophobicContact CD2-CG 4.07Å; E39-L166 HydrophobicContact CB-CD2 4.23Å; E39-L166 HydrophobicContact CB-CG 4.14Å; E39-L166 WeakPolarHBondContact OE2-CD2 3.46Å; T40-L166 PolarHBondContact O-N 3.3Å; F41-L166 HydrophobicContact CD1-CD1 3.37Å; F41-L166 HydrophobicContact CD2-CD1 4.13Å; F41-L166 HydrophobicContact CE1-CD1 3.25Å; F41-L166 HydrophobicContact CE2-CD1 4.01Å; F41-L166 HydrophobicContact CG-CD1 3.83Å; F41-L166 HydrophobicContact CZ-CD1 3.58Å; S164-L166 PolarHBondContact O-N 2.85Å; L166-A168 VanDerWaalsContact C-N 3.32Å; L166-A168 PolarHBondContact O-N 2.81Å; L166-L175 HydrophobicContact CD2-CD1 4.45Å; L166-L175 HydrophobicContact CD2-CD2 3.95Å; L166-R189 PolarHBondContact O-NH2 3.4Å; L166-F193 HydrophobicContact CD2-CE1 4.48Å; L166-F193 HydrophobicContact CD2-CZ 4.03Å
167T60.4Low56.3Low63 Ų6371.5 Ų71.539%0.38742%0.421SS..THydrogen-bonded Turntrans-76.4-14.5177.576.90000114.2K59 S165 M198K59-T167 PolarHBondContact NZ-O 3.47Å; S165-T167 PolarHBondContact O-N 3.08Å; S165-T167 PolarHBondContact OG-N 3.15Å; S165-T167 VanDerWaalsContact OG-N 3.13Å; S165-T167 PolarHBondContact OG-OG1 2.7Å; T167-M198 HydrophobicContact CG2-CE 3.83Å
168A53.8Low59.3Low53 Ų5370.6 Ų70.644%0.43840%0.399SS..THydrogen-bonded Turntrans-79.4-61.4-170.500000112.5S165 L166 S170S165-A168 WeakPolarHBondContact O-CA 3.28Å; S165-A168 WeakPolarHBondContact O-CB 3.44Å; S165-A168 PolarHBondContact O-N 2.87Å; L166-A168 VanDerWaalsContact C-N 3.32Å; L166-A168 PolarHBondContact O-N 2.81Å; A168-S170 PolarHBondContact O-N 3.2Å
169S55.4Low62.2Low26 Ų2666.7 Ų66.718%0.18237%0.371CS..  trans-93.896.4-168.9-168.50000113.2H171 K172 R189S169-H171 PolarHBondContact O-N 2.9Å; S169-H171 PolarHBondContact OG-N 2.94Å; S169-K172 PolarHBondContact OG-N 2.98Å; S169-R189 PolarHBondContact O-NH1 3.3Å
170S54.6Low65.1Low64 Ų6464.4 Ų64.445%0.44835%0.35SS..SBendtrans-77.36.9164.7-171.50000113.4A168 R195A168-S170 PolarHBondContact O-N 3.2Å; S170-R195 PolarHBondContact OG-NH2 2.92Å
171H57.2Low67.8Low172 Ų17261.8 Ų61.880%0.79633%0.331SS*.SBendtrans-109.7-23.4-173-69.2-90.7000113.5S169S169-H171 PolarHBondContact O-N 2.9Å; S169-H171 PolarHBondContact OG-N 2.94Å
172K63.5Low70.1Confident51 Ų5158.2 Ų58.222%0.22231%0.312CS..  trans-67.5128.7167.2-77.5167.3175.71790109.5G38 E39 S169G38-K172 PolarHBondContact O-NZ 3.25Å; E39-K172 WeakPolarHBondContact OE1-CD 3.42Å; E39-K172 WeakPolarHBondContact OE1-CE 3.25Å; E39-K172 IonicContact OE1-NZ 2.69Å; E39-K172 PolarHBondContact OE1-NZ 3.41Å; S169-K172 PolarHBondContact OG-N 2.98Å
173Q74.7Confident72.5Confident110 Ų11052.8 Ų52.851%0.51428%0.277SS..  trans-87-31.4177.2-67.5174.1-75.600112.1R189 P386Q173-R189 WeakPolarHBondContact O-CB 3.43Å; Q173-R189 PolarHBondContact O-N 3.29Å; Q173-P386 HydrophobicContact CG-CB 4.38Å; Q173-P386 HydrophobicContact CG-CG 4.12Å
174M81.4Confident74.2Confident32 Ų3249.4 Ų49.416%0.15826%0.259CS..EExtended strand (participates in β ladder)trans-103.3153.4178.6-59.6-63-88.600111.2F176 G186 I187 N188 D408M174-F176 HydrophobicContact CB-CE2 3.97Å; M174-F176 HydrophobicContact CB-CZ 3.89Å; M174-G186 VanDerWaalsContact CE-C 3.42Å; M174-G186 WeakPolarHBondContact CE-O 3.43Å; M174-I187 CarbonylContact C-O 3.59Å; M174-I187 WeakPolarHBondContact CA-O 3.32Å; M174-N188 HydrophobicContact SD-CB 4.24Å; M174-D408 HydrophobicContact CE-CB 4.24Å; M174-D408 WeakPolarHBondContact CE-OD2 3.44Å
175L87.8Confident75.6Confident2 Ų247.4 Ų47.41%0.0125%0.245CC..EExtended strand (participates in β ladder)trans-114.1144.3159.4-72.4170.2000108E39 L166 F177 G186 I187 R189 L192 F193E39-L175 HydrophobicContact CG-CD2 4.37Å; E39-L175 VanDerWaalsContact OE2-CD2 3.31Å; E39-L175 WeakPolarHBondContact OE2-CD2 3.41Å; L166-L175 HydrophobicContact CD2-CD1 4.45Å; L166-L175 HydrophobicContact CD2-CD2 3.95Å; L175-F177 HydrophobicContact CB-CE2 3.99Å; L175-F177 HydrophobicContact CB-CZ 4.44Å; L175-G186 WeakPolarHBondContact O-CA 3.33Å; L175-I187 PolarHBondContact N-O 3.31Å; L175-I187 PolarHBondContact O-N 2.92Å; L175-R189 HydrophobicContact CD1-CB 4.24Å; L175-R189 HydrophobicContact CD1-CG 3.88Å; L175-R189 HydrophobicContact CG-CB 4.06Å; L175-R189 HydrophobicContact CG-CG 4Å; L175-L192 HydrophobicContact CD1-CD1 4.22Å; L175-F193 HydrophobicContact CD1-CD1 4.4Å; L175-F193 HydrophobicContact CD1-CE1 3.39Å; L175-F193 HydrophobicContact CD1-CZ 3.79Å
176F87.9Confident76.9Confident17 Ų1746.3 Ų46.38%0.07524%0.237CC..EExtended strand (participates in β ladder)trans-115.6136.9-177.1-63.2-83.5000110.5V37 M174 I184 V185 Y410 L416 L419V37-F176 PolarHBondContact N-O 3.32Å; M174-F176 HydrophobicContact CB-CE2 3.97Å; M174-F176 HydrophobicContact CB-CZ 3.89Å; F176-I184 HydrophobicContact CB-CG2 4.34Å; F176-I184 HydrophobicContact CD1-CG2 4.01Å; F176-V185 CarbonylContact C-O 3.6Å; F176-V185 WeakPolarHBondContact CA-O 3.49Å; F176-Y410 HydrophobicContact CD1-CE2 4.31Å; F176-Y410 AromaticContact CE1-CE2 3.84Å; F176-Y410 HydrophobicContact CE1-CE2 3.84Å; F176-L416 HydrophobicContact CB-CD1 3.58Å; F176-L416 HydrophobicContact CD1-CD1 4.15Å; F176-L416 HydrophobicContact CD2-CD1 3.97Å; F176-L416 HydrophobicContact CG-CD1 3.63Å; F176-L419 HydrophobicContact CE1-CB 3.96Å; F176-L419 HydrophobicContact CE1-CD1 4.33Å; F176-L419 HydrophobicContact CZ-CB 3.89Å
177F90.1Very high78Confident0 Ų046.1 Ų46.10%024%0.236CC..EExtended strand (participates in β ladder)trans-125.1162.2177.3-58.2-95.8000109.1L34 V35 L36 L175 I184 V185 I187 L192 L205L34-F177 HydrophobicContact CB-CB 4.14Å; L34-F177 HydrophobicContact CB-CD1 4.05Å; L34-F177 HydrophobicContact CB-CG 4.32Å; L34-F177 HydrophobicContact CD1-CG 4.42Å; L34-F177 HydrophobicContact CD2-CB 3.89Å; L34-F177 HydrophobicContact CG-CB 4.41Å; V35-F177 CarbonylContact O-C 3.55Å; V35-F177 WeakPolarHBondContact O-CA 3.44Å; L36-F177 HydrophobicContact CB-CD1 4.31Å; L36-F177 HydrophobicContact CB-CE1 4.33Å; L36-F177 HydrophobicContact CD1-CD1 4.24Å; L36-F177 HydrophobicContact CD1-CE1 3.87Å; L36-F177 HydrophobicContact CD1-CZ 4.12Å; L175-F177 HydrophobicContact CB-CE2 3.99Å; L175-F177 HydrophobicContact CB-CZ 4.44Å; F177-I184 CarbonylContact O-C 3.53Å; F177-I184 WeakPolarHBondContact O-CA 3.5Å; F177-V185 HydrophobicContact CB-CB 4.49Å; F177-V185 PolarHBondContact N-O 3.05Å; F177-V185 PolarHBondContact O-N 3.49Å; F177-I187 HydrophobicContact CD2-CD1 4.12Å; F177-I187 HydrophobicContact CD2-CG1 4.44Å; F177-I187 HydrophobicContact CE2-CB 4.33Å; F177-I187 HydrophobicContact CE2-CD1 3.99Å; F177-I187 HydrophobicContact CE2-CG1 4.4Å; F177-L192 HydrophobicContact CE2-CD1 3.88Å; F177-L192 HydrophobicContact CZ-CD1 3.8Å; F177-L205 HydrophobicContact CE1-CD2 3.72Å; F177-L205 HydrophobicContact CE1-CG 4.06Å; F177-L205 HydrophobicContact CZ-CD1 4.23Å; F177-L205 HydrophobicContact CZ-CD2 3.92Å; F177-L205 HydrophobicContact CZ-CG 4.07Å
178R89.5Confident79.4Confident105 Ų10543.6 Ų43.640%0.39622%0.221SC..EExtended strand (participates in β ladder)trans-109.5131.8163.4-152.3-178.6-154.7-176.89.2108.3L34 V35 V37 S182 E183 P412L34-R178 CarbonylContact C-O 3.42Å; L34-R178 WeakPolarHBondContact CA-O 3.42Å; V35-R178 PolarHBondContact N-O 2.85Å; V35-R178 PolarHBondContact O-N 3.35Å; V37-R178 HydrophobicContact CG2-CB 3.93Å; R178-S182 VanDerWaalsContact CG-O 3.3Å; R178-S182 WeakPolarHBondContact CG-O 3.47Å; R178-S182 PolarHBondContact NE-O 3.39Å; R178-E183 WeakPolarHBondContact CA-O 3.46Å; R178-P412 PolarHBondContact NH2-O 3.13Å
179N88.8Confident81.1Confident6 Ų642.5 Ų42.53%0.03221%0.205CC..  trans-90.1-179.8174.774.78.1000111.6K30 L34 N181 S182 E183 V185K30-N179 PolarHBondContact O-ND2 2.98Å; L34-N179 HydrophobicContact CD2-CB 3.85Å; N179-N181 VanDerWaalsContact C-N 3.26Å; N179-N181 PolarHBondContact O-N 3.32Å; N179-N181 WeakPolarHBondContact OD1-CA 3.46Å; N179-N181 WeakPolarHBondContact OD1-CB 3.49Å; N179-N181 PolarHBondContact OD1-N 2.78Å; N179-S182 WeakPolarHBondContact O-CA 3.3Å; N179-S182 PolarHBondContact O-N 3.1Å; N179-S182 PolarHBondContact OD1-N 3.48Å; N179-E183 PolarHBondContact N-O 2.99Å; N179-E183 PolarHBondContact ND2-OE2 2.72Å; N179-E183 WeakPolarHBondContact OD1-CB 3.29Å; N179-E183 PolarHBondContact OD1-N 2.95Å; N179-V185 HydrophobicContact CB-CG2 4.14Å
180Y87.4Confident82.6Confident132 Ų13242.1 Ų42.152%0.51820%0.202SC..THydrogen-bonded Turntrans-64.6-25.9-179.977.1-89.4000113.8E29 T32 S182E29-Y180 WeakPolarHBondContact O-CE1 3.45Å; T32-Y180 WeakPolarHBondContact OG1-CD1 3.34Å; T32-Y180 WeakPolarHBondContact OG1-CE1 3.05Å; Y180-S182 PolarHBondContact O-N 2.88Å
181N83.8Confident84.4Confident61 Ų6139.1 Ų39.133%0.32618%0.181SC..THydrogen-bonded Turntrans-75.66.4171.9-61.3-50.6000112.8N179 E183N179-N181 VanDerWaalsContact C-N 3.26Å; N179-N181 PolarHBondContact O-N 3.32Å; N179-N181 WeakPolarHBondContact OD1-CA 3.46Å; N179-N181 WeakPolarHBondContact OD1-CB 3.49Å; N179-N181 PolarHBondContact OD1-N 2.78Å; N181-E183 HydrophobicContact CB-CG 3.9Å; N181-E183 PolarHBondContact ND2-OE2 3.43Å; N181-E183 PolarHBondContact O-N 2.91Å; N181-E183 VanDerWaalsContact O-N 3.11Å
182S82.9Confident86Confident47 Ų4731 Ų3133%0.32914%0.143SC..SBendtrans61.94.1-169.4-700000115.8R178 N179 Y180 P412R178-S182 VanDerWaalsContact CG-O 3.3Å; R178-S182 WeakPolarHBondContact CG-O 3.47Å; R178-S182 PolarHBondContact NE-O 3.39Å; N179-S182 WeakPolarHBondContact O-CA 3.3Å; N179-S182 PolarHBondContact O-N 3.1Å; N179-S182 PolarHBondContact OD1-N 3.48Å; Y180-S182 PolarHBondContact O-N 2.88Å; S182-P412 VanDerWaalsContact O-CA 3.26Å; S182-P412 WeakPolarHBondContact O-CA 3.38Å; S182-P412 WeakPolarHBondContact O-CB 3.33Å
183E86.5Confident87.1Confident15 Ų1528.9 Ų28.97%0.0713%0.134CC..  trans-64143.8174.3-58.6169.8111.400110.2K30 R178 N179 N181 V409K30-E183 WeakPolarHBondContact CD-OE2 3.36Å; K30-E183 WeakPolarHBondContact CE-OE2 3.41Å; K30-E183 IonicContact NZ-OE1 3.68Å; K30-E183 PolarHBondContact NZ-OE1 3.31Å; K30-E183 VanDerWaalsContact NZ-OE1 3.09Å; K30-E183 IonicContact NZ-OE2 3.44Å; K30-E183 PolarHBondContact NZ-OE2 3.22Å; R178-E183 WeakPolarHBondContact CA-O 3.46Å; N179-E183 PolarHBondContact N-O 2.99Å; N179-E183 PolarHBondContact ND2-OE2 2.72Å; N179-E183 WeakPolarHBondContact OD1-CB 3.29Å; N179-E183 PolarHBondContact OD1-N 2.95Å; N181-E183 HydrophobicContact CB-CG 3.9Å; N181-E183 PolarHBondContact ND2-OE2 3.43Å; N181-E183 PolarHBondContact O-N 2.91Å; N181-E183 VanDerWaalsContact O-N 3.11Å; E183-V409 HydrophobicContact CB-CG1 4.01Å; E183-V409 HydrophobicContact CG-CG1 4.43Å
184I85.1Confident87.6Confident13 Ų1325 Ų257%0.06712%0.118CC..EExtended strand (participates in β ladder)trans-87.2129.2174-64.8171.2000108.8F176 F177 V409 Y410 A414 L416 L419F176-I184 HydrophobicContact CB-CG2 4.34Å; F176-I184 HydrophobicContact CD1-CG2 4.01Å; F177-I184 CarbonylContact O-C 3.53Å; F177-I184 WeakPolarHBondContact O-CA 3.5Å; I184-V409 CarbonylContact O-C 3.55Å; I184-V409 WeakPolarHBondContact O-CA 3.35Å; I184-Y410 HydrophobicContact CG2-CD2 4.15Å; I184-Y410 PolarHBondContact N-O 2.93Å; I184-Y410 VanDerWaalsContact N-O 3.14Å; I184-Y410 WeakPolarHBondContact O-CD2 3.43Å; I184-Y410 PolarHBondContact O-N 3.28Å; I184-A414 HydrophobicContact CD1-CB 4.44Å; I184-A414 VanDerWaalsContact CD1-O 3.29Å; I184-A414 WeakPolarHBondContact CD1-O 3.39Å; I184-L416 HydrophobicContact CG2-CD1 4.34Å; I184-L419 HydrophobicContact CG2-CD1 4.35Å
185V88.6Confident87.5Confident0 Ų032.1 Ų32.10%014%0.143CC..EExtended strand (participates in β ladder)trans-115.8116.5-177.3-175.50000109.7L31 L34 F176 F177 N179 I187 F407 D408 V409L31-V185 HydrophobicContact CD2-CG1 3.83Å; L34-V185 HydrophobicContact CD2-CB 4.34Å; L34-V185 HydrophobicContact CD2-CG2 4.16Å; F176-V185 CarbonylContact C-O 3.6Å; F176-V185 WeakPolarHBondContact CA-O 3.49Å; F177-V185 HydrophobicContact CB-CB 4.49Å; F177-V185 PolarHBondContact N-O 3.05Å; F177-V185 PolarHBondContact O-N 3.49Å; N179-V185 HydrophobicContact CB-CG2 4.14Å; V185-I187 HydrophobicContact CG1-CG1 4.22Å; V185-F407 HydrophobicContact CG1-CD2 3.93Å; V185-D408 CarbonylContact C-O 3.52Å; V185-D408 WeakPolarHBondContact CA-O 3.37Å; V185-V409 HydrophobicContact CG2-CG2 4.44Å
186G88.7Confident87Confident0 Ų038.4 Ų38.40%017%0.171CC..EExtended strand (participates in β ladder)trans-94.4121.4175.600000112M174 L175 D408M174-G186 VanDerWaalsContact CE-C 3.42Å; M174-G186 WeakPolarHBondContact CE-O 3.43Å; L175-G186 WeakPolarHBondContact O-CA 3.33Å; G186-D408 PolarHBondContact N-O 3.39Å; G186-D408 PolarHBondContact O-N 2.97Å
187I90.5Very high86.7Confident0 Ų040.3 Ų40.30%018%0.184CC..EExtended strand (participates in β ladder)trans-119.1135.8176.1-59.8175.1000110.7F21 L31 M174 L175 F177 V185 R189 L192 V209 F407F21-I187 HydrophobicContact CE1-CD1 4.48Å; F21-I187 HydrophobicContact CZ-CD1 4.48Å; F21-I187 HydrophobicContact CZ-CG1 4.27Å; F21-I187 HydrophobicContact CZ-CG2 3.86Å; L31-I187 HydrophobicContact CD2-CD1 4.26Å; M174-I187 CarbonylContact C-O 3.59Å; M174-I187 WeakPolarHBondContact CA-O 3.32Å; L175-I187 PolarHBondContact N-O 3.31Å; L175-I187 PolarHBondContact O-N 2.92Å; F177-I187 HydrophobicContact CD2-CD1 4.12Å; F177-I187 HydrophobicContact CD2-CG1 4.44Å; F177-I187 HydrophobicContact CE2-CB 4.33Å; F177-I187 HydrophobicContact CE2-CD1 3.99Å; F177-I187 HydrophobicContact CE2-CG1 4.4Å; V185-I187 HydrophobicContact CG1-CG1 4.22Å; I187-R189 PolarHBondContact O-N 3.07Å; I187-R189 VanDerWaalsContact O-N 3.11Å; I187-L192 HydrophobicContact CB-CD1 4.2Å; I187-L192 HydrophobicContact CD1-CD1 4.47Å; I187-L192 HydrophobicContact CG2-CD1 3.83Å; I187-L192 HydrophobicContact CG2-CD2 3.86Å; I187-L192 HydrophobicContact CG2-CG 3.65Å; I187-V209 HydrophobicContact CD1-CG1 4.37Å; I187-V209 HydrophobicContact CD1-CG2 4.22Å; I187-F407 HydrophobicContact CG1-CB 4.12Å
188N89Confident86.4Confident10 Ų1043.6 Ų43.65%0.05320%0.2CC..EExtended strand (participates in β ladder)trans-58.7113173.8-105.4-62.1000111.4M174 C190 V191 L404M174-N188 HydrophobicContact SD-CB 4.24Å; N188-C190 PolarHBondContact O-N 2.95Å; N188-C190 VanDerWaalsContact O-N 3.1Å; N188-V191 HydrophobicContact CB-CB 4.39Å; N188-V191 HydrophobicContact CB-CG2 3.72Å; N188-V191 VanDerWaalsContact O-CB 3.3Å; N188-V191 WeakPolarHBondContact O-CB 3.22Å; N188-V191 PolarHBondContact O-N 2.89Å; N188-L404 HydrophobicContact CB-CD2 4.17Å
189R89.4Confident86.3Confident30 Ų3039 Ų3911%0.11318%0.184CC..Hα-helixtrans-54.1-37.3-173.3-178.6172.7175.4127.25.4113.5E39 L166 S169 Q173 L175 I187 V191 L192 F193E39-R189 IonicContact OE1-NH1 3.94Å; E39-R189 IonicContact OE2-CZ 3.06Å; E39-R189 IonicContact OE2-NH1 2.67Å; E39-R189 PolarHBondContact OE2-NH1 3.16Å; L166-R189 PolarHBondContact O-NH2 3.4Å; S169-R189 PolarHBondContact O-NH1 3.3Å; Q173-R189 WeakPolarHBondContact O-CB 3.43Å; Q173-R189 PolarHBondContact O-N 3.29Å; L175-R189 HydrophobicContact CD1-CB 4.24Å; L175-R189 HydrophobicContact CD1-CG 3.88Å; L175-R189 HydrophobicContact CG-CB 4.06Å; L175-R189 HydrophobicContact CG-CG 4Å; I187-R189 PolarHBondContact O-N 3.07Å; I187-R189 VanDerWaalsContact O-N 3.11Å; R189-V191 VanDerWaalsContact C-N 3.28Å; R189-V191 PolarHBondContact O-N 3.13Å; R189-L192 PolarHBondContact O-N 2.96Å; R189-F193 HydrophobicContact CG-CZ 4.31Å; R189-F193 PolarHBondContact O-N 3.26Å; R189-F193 VanDerWaalsContact O-N 3.13Å
190C88.1Confident86.1Confident18 Ų1844.1 Ų44.112%0.12222%0.215CC..Hα-helixtrans-70.8-19.9179.469.50000114N188 R383N188-C190 PolarHBondContact O-N 2.95Å; N188-C190 VanDerWaalsContact O-N 3.1Å; C190-R383 VanDerWaalsContact O-CD 3.24Å; C190-R383 WeakPolarHBondContact O-CD 3.32Å; C190-R383 WeakPolarHBondContact O-CG 3.35Å; C190-R383 PolarHBondContact O-NH1 3.36Å
191V91.6Very high86.1Confident0 Ų040.6 Ų40.60%021%0.207CC..Hα-helixtrans-77.7-33.2174.1-177.80000110.7F21 N188 R189 V212 W218 L306 F308 R383 L404F21-V191 HydrophobicContact CE2-CG1 4.46Å; N188-V191 HydrophobicContact CB-CB 4.39Å; N188-V191 HydrophobicContact CB-CG2 3.72Å; N188-V191 VanDerWaalsContact O-CB 3.3Å; N188-V191 WeakPolarHBondContact O-CB 3.22Å; N188-V191 PolarHBondContact O-N 2.89Å; R189-V191 VanDerWaalsContact C-N 3.28Å; R189-V191 PolarHBondContact O-N 3.13Å; V191-V212 HydrophobicContact CG1-CB 4.4Å; V191-V212 HydrophobicContact CG1-CG1 3.6Å; V191-V212 HydrophobicContact CG1-CG2 3.81Å; V191-V212 VanDerWaalsContact O-CG2 3.27Å; V191-V212 WeakPolarHBondContact O-CG2 3.33Å; V191-W218 HydrophobicContact CG1-CH2 3.97Å; V191-W218 HydrophobicContact CG1-CZ2 4.43Å; V191-L306 HydrophobicContact CG1-CD1 4.35Å; V191-F308 HydrophobicContact CB-CE1 4.4Å; V191-F308 HydrophobicContact CB-CZ 4.34Å; V191-F308 HydrophobicContact CG1-CZ 4.26Å; V191-F308 HydrophobicContact CG2-CE1 3.82Å; V191-F308 HydrophobicContact CG2-CZ 3.9Å; V191-R383 VanDerWaalsContact C-NH1 3.32Å; V191-R383 PolarHBondContact O-NE 3.04Å; V191-R383 PolarHBondContact O-NH1 3.13Å; V191-R383 PolarHBondContact O-NH2 2.86Å; V191-R383 VanDerWaalsContact O-NH2 3.13Å; V191-L404 HydrophobicContact CG2-CB 4.04Å; V191-L404 HydrophobicContact CG2-CD2 3.77Å; V191-L404 HydrophobicContact CG2-CG 4.47Å
192L90.5Very high86.2Confident1 Ų140.4 Ų40.41%0.00521%0.205CC..Hα-helixtrans-77.1-58.8175.5-60.8-176.2000111.9L175 F177 I187 R189 L205 V209 V212 R383L175-L192 HydrophobicContact CD1-CD1 4.22Å; F177-L192 HydrophobicContact CE2-CD1 3.88Å; F177-L192 HydrophobicContact CZ-CD1 3.8Å; I187-L192 HydrophobicContact CB-CD1 4.2Å; I187-L192 HydrophobicContact CD1-CD1 4.47Å; I187-L192 HydrophobicContact CG2-CD1 3.83Å; I187-L192 HydrophobicContact CG2-CD2 3.86Å; I187-L192 HydrophobicContact CG2-CG 3.65Å; R189-L192 PolarHBondContact O-N 2.96Å; L192-L205 HydrophobicContact CB-CD1 4.46Å; L192-L205 HydrophobicContact CD1-CD1 3.93Å; L192-V209 HydrophobicContact CD1-CG2 4.15Å; L192-V209 HydrophobicContact CD2-CB 4.28Å; L192-V209 HydrophobicContact CD2-CG2 3.67Å; L192-V212 HydrophobicContact CD2-CG2 4.25Å; L192-R383 PolarHBondContact O-NH1 2.84Å; L192-R383 PolarHBondContact O-NH2 3.28Å
193F87.3Confident86.5Confident8 Ų843.7 Ų43.74%0.03522%0.219CC..  trans-147.8174.2-17559.8-96.2000115.2L166 L175 R189 T197 M198 P199 L205 R383L166-F193 HydrophobicContact CD2-CE1 4.48Å; L166-F193 HydrophobicContact CD2-CZ 4.03Å; L175-F193 HydrophobicContact CD1-CD1 4.4Å; L175-F193 HydrophobicContact CD1-CE1 3.39Å; L175-F193 HydrophobicContact CD1-CZ 3.79Å; R189-F193 HydrophobicContact CG-CZ 4.31Å; R189-F193 PolarHBondContact O-N 3.26Å; R189-F193 VanDerWaalsContact O-N 3.13Å; F193-T197 VanDerWaalsContact CB-O 3.28Å; F193-T197 WeakPolarHBondContact CB-O 3.43Å; F193-M198 HydrophobicContact CD2-CB 4.16Å; F193-M198 HydrophobicContact CD2-CG 3.94Å; F193-M198 HydrophobicContact CE2-CB 4.44Å; F193-M198 HydrophobicContact CE2-CG 3.74Å; F193-M198 HydrophobicContact CE2-SD 4.28Å; F193-P199 VanDerWaalsContact CD1-CD 3.46Å; F193-P199 HydrophobicContact CD1-CG 3.77Å; F193-P199 HydrophobicContact CE1-CG 3.94Å; F193-P199 HydrophobicContact CG-CG 4.22Å; F193-L205 HydrophobicContact CD1-CD1 3.92Å; F193-L205 HydrophobicContact CE1-CD1 3.78Å; F193-R383 VanDerWaalsContact N-NH1 3.16Å
194T83.9Confident86.6Confident28 Ų2847.3 Ų47.317%0.17224%0.236CC..  trans-125.2173.7174.280.70000110.5K196 T197 M198 L382 R383T194-K196 PolarHBondContact O-N 3.13Å; T194-K196 PolarHBondContact OG1-N 3.35Å; T194-T197 PolarHBondContact N-OG1 3.33Å; T194-T197 VanDerWaalsContact N-OG1 3.17Å; T194-T197 CarbonylContact O-C 3.53Å; T194-T197 PolarHBondContact O-N 3.08Å; T194-T197 VanDerWaalsContact O-N 3.11Å; T194-T197 PolarHBondContact OG1-N 3.07Å; T194-T197 PolarHBondContact OG1-OG1 3.03Å; T194-M198 WeakPolarHBondContact O-CA 3.4Å; T194-M198 WeakPolarHBondContact O-CB 3.14Å; T194-M198 PolarHBondContact O-N 3.1Å; T194-M198 VanDerWaalsContact O-N 3.08Å; T194-L382 WeakPolarHBondContact CG2-O 3.5Å; T194-R383 HydrophobicContact CG2-CG 4.13Å
195R79.4Confident86.8Confident181 Ų18146.7 Ų46.768%0.68323%0.232SC*.THydrogen-bonded Turntrans-65.1-17.3171.1-65.1-166.2-171.2-168.74.9114.4S170S170-R195 PolarHBondContact OG-NH2 2.92Å
196K78.3Confident87Confident135 Ų13549.1 Ų49.159%0.58725%0.245SC*.THydrogen-bonded Turntrans-85.3-18.6172.8-70.8-170.2178.1-175.80112.7T194 M377 D378T194-K196 PolarHBondContact O-N 3.13Å; T194-K196 PolarHBondContact OG1-N 3.35Å; K196-M377 PolarHBondContact NZ-O 2.83Å; K196-D378 IonicContact NZ-OD1 3.36Å; K196-D378 PolarHBondContact NZ-OD1 2.96Å
197T82.3Confident87Confident57 Ų5750.7 Ų50.735%0.3526%0.258SS..SBendtrans-135.136.1-167.849.40000110.8F193 T194 P380F193-T197 VanDerWaalsContact CB-O 3.28Å; F193-T197 WeakPolarHBondContact CB-O 3.43Å; T194-T197 PolarHBondContact N-OG1 3.33Å; T194-T197 VanDerWaalsContact N-OG1 3.17Å; T194-T197 CarbonylContact O-C 3.53Å; T194-T197 PolarHBondContact O-N 3.08Å; T194-T197 VanDerWaalsContact O-N 3.11Å; T194-T197 PolarHBondContact OG1-N 3.07Å; T194-T197 PolarHBondContact OG1-OG1 3.03Å; T197-P380 HydrophobicContact CG2-CB 4.46Å
198M83.7Confident87Confident69 Ų6951 Ų5134%0.3426%0.261SS..  trans-80.8124.5-172.4-174.3164.766.400110.1T167 F193 T194T167-M198 HydrophobicContact CG2-CE 3.83Å; F193-M198 HydrophobicContact CD2-CB 4.16Å; F193-M198 HydrophobicContact CD2-CG 3.94Å; F193-M198 HydrophobicContact CE2-CB 4.44Å; F193-M198 HydrophobicContact CE2-CG 3.74Å; F193-M198 HydrophobicContact CE2-SD 4.28Å; T194-M198 WeakPolarHBondContact O-CA 3.4Å; T194-M198 WeakPolarHBondContact O-CB 3.14Å; T194-M198 PolarHBondContact O-N 3.1Å; T194-M198 VanDerWaalsContact O-N 3.08Å
199P85.6Confident87.2Confident9 Ų950.8 Ų50.86%0.05826%0.26CS..  trans-69.8142.2-178.528.3-33.6000111.6F193 E204 L205F193-P199 VanDerWaalsContact CD1-CD 3.46Å; F193-P199 HydrophobicContact CD1-CG 3.77Å; F193-P199 HydrophobicContact CE1-CG 3.94Å; F193-P199 HydrophobicContact CG-CG 4.22Å; P199-E204 WeakPolarHBondContact CA-OE2 3.23Å; P199-E204 HydrophobicContact CB-CB 3.55Å; P199-L205 HydrophobicContact CB-CB 4.13Å; P199-L205 HydrophobicContact CG-CB 3.95Å; P199-L205 HydrophobicContact CG-CD1 3.96Å; P199-L205 HydrophobicContact CG-CG 4.48Å
200V84.7Confident87.2Confident112 Ų11251.6 Ų51.668%0.67927%0.27SS*.SBendtrans-99.7-26.6177.7-174.60000111F41 E204F41-V200 VanDerWaalsContact CD1-C 3.47Å; F41-V200 WeakPolarHBondContact CD1-O 3.38Å; V200-E204 PolarHBondContact N-OE2 2.87Å
201T87.8Confident87.3Confident58 Ų5856.7 Ų56.736%0.35629%0.286SS..SBendtrans-117.7165.2176.774.20000112.8F41 D203 E204 L205F41-T201 VanDerWaalsContact CE1-O 3.23Å; F41-T201 WeakPolarHBondContact CE1-O 3.44Å; F41-T201 VanDerWaalsContact CZ-O 3.23Å; F41-T201 WeakPolarHBondContact CZ-O 3.47Å; T201-D203 VanDerWaalsContact C-N 3.27Å; T201-D203 PolarHBondContact O-N 3.35Å; T201-D203 PolarHBondContact OG1-N 2.86Å; T201-E204 PolarHBondContact OG1-N 3.21Å; T201-L205 PolarHBondContact O-N 2.98Å
202M86.9Confident87.3Confident57 Ų5756.8 Ų56.828%0.28129%0.287SS..Hα-helixtrans-61.3-39.2171.6-167.271.179.400111L36 F41 E204 L205 L206L36-M202 HydrophobicContact CB-CE 3.85Å; L36-M202 HydrophobicContact CB-SD 3.99Å; F41-M202 HydrophobicContact CE2-CB 4.09Å; F41-M202 HydrophobicContact CE2-CE 4.01Å; F41-M202 HydrophobicContact CE2-SD 3.92Å; F41-M202 HydrophobicContact CZ-CB 4.42Å; F41-M202 HydrophobicContact CZ-SD 4.36Å; M202-E204 PolarHBondContact O-N 2.94Å; M202-L205 CarbonylContact O-C 3.6Å; M202-L205 WeakPolarHBondContact O-CA 3.28Å; M202-L205 WeakPolarHBondContact O-CB 3.27Å; M202-L205 PolarHBondContact O-N 2.92Å; M202-L205 HydrophobicContact SD-CD2 4.49Å; M202-L206 HydrophobicContact CG-CD1 3.9Å; M202-L206 HydrophobicContact CG-CG 4.17Å; M202-L206 WeakPolarHBondContact O-CG 3.03Å; M202-L206 PolarHBondContact O-N 3.22Å
203D89.1Confident87.3Confident117 Ų11760 Ų6063%0.62630%0.299SS*.Hα-helixtrans-66.3-38.1-176.6-45.7-67.7000112T201 L205 L206 A207T201-D203 VanDerWaalsContact C-N 3.27Å; T201-D203 PolarHBondContact O-N 3.35Å; T201-D203 PolarHBondContact OG1-N 2.86Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 2.93Å; D203-L206 PolarHBondContact O-N 3.42Å; D203-A207 WeakPolarHBondContact O-CB 3.45Å; D203-A207 PolarHBondContact O-N 3.18Å
204E88.8Confident87.3Confident90 Ų9066.4 Ų66.442%0.42133%0.329SS..Hα-helixtrans-65.5-32.6172.6-70.8-178.4154.600112.6P199 V200 T201 M202 S208P199-E204 WeakPolarHBondContact CA-OE2 3.23Å; P199-E204 HydrophobicContact CB-CB 3.55Å; V200-E204 PolarHBondContact N-OE2 2.87Å; T201-E204 PolarHBondContact OG1-N 3.21Å; M202-E204 PolarHBondContact O-N 2.94Å; E204-S208 WeakPolarHBondContact O-CB 3.33Å; E204-S208 PolarHBondContact O-N 2.69Å; E204-S208 PolarHBondContact O-OG 2.66Å
205L89.6Confident87.6Confident0 Ų065.1 Ų65.10%032%0.321CS..Hα-helixtrans-73.4-43.8175.6-178.358.2000111.2L36 F41 F177 L192 F193 P199 T201 M202 D203 S208 V209L36-L205 HydrophobicContact CD1-CD2 4.19Å; L36-L205 HydrophobicContact CD2-CD2 4.21Å; F41-L205 HydrophobicContact CZ-CB 4.24Å; F41-L205 HydrophobicContact CZ-CD2 3.94Å; F177-L205 HydrophobicContact CE1-CD2 3.72Å; F177-L205 HydrophobicContact CE1-CG 4.06Å; F177-L205 HydrophobicContact CZ-CD1 4.23Å; F177-L205 HydrophobicContact CZ-CD2 3.92Å; F177-L205 HydrophobicContact CZ-CG 4.07Å; L192-L205 HydrophobicContact CB-CD1 4.46Å; L192-L205 HydrophobicContact CD1-CD1 3.93Å; F193-L205 HydrophobicContact CD1-CD1 3.92Å; F193-L205 HydrophobicContact CE1-CD1 3.78Å; P199-L205 HydrophobicContact CB-CB 4.13Å; P199-L205 HydrophobicContact CG-CB 3.95Å; P199-L205 HydrophobicContact CG-CD1 3.96Å; P199-L205 HydrophobicContact CG-CG 4.48Å; T201-L205 PolarHBondContact O-N 2.98Å; M202-L205 CarbonylContact O-C 3.6Å; M202-L205 WeakPolarHBondContact O-CA 3.28Å; M202-L205 WeakPolarHBondContact O-CB 3.27Å; M202-L205 PolarHBondContact O-N 2.92Å; M202-L205 HydrophobicContact SD-CD2 4.49Å; D203-L205 VanDerWaalsContact C-N 3.29Å; D203-L205 PolarHBondContact O-N 2.93Å; L205-S208 CarbonylContact O-C 3.36Å; L205-S208 WeakPolarHBondContact O-CA 3.48Å; L205-S208 VanDerWaalsContact O-CB 3.25Å; L205-S208 WeakPolarHBondContact O-CB 3.23Å; L205-S208 PolarHBondContact O-N 2.77Å; L205-V209 PolarHBondContact O-N 3.21Å
206L91.4Very high88.2Confident52 Ų5263 Ų6327%0.27231%0.313SS..Hα-helixtrans-67.5-37.8175.3-66.8174.9000112.1L34 M202 D203 S208 V209 S210L34-L206 HydrophobicContact CB-CD2 3.83Å; M202-L206 HydrophobicContact CG-CD1 3.9Å; M202-L206 HydrophobicContact CG-CG 4.17Å; M202-L206 WeakPolarHBondContact O-CG 3.03Å; M202-L206 PolarHBondContact O-N 3.22Å; D203-L206 PolarHBondContact O-N 3.42Å; L206-S208 PolarHBondContact O-N 2.99Å; L206-V209 PolarHBondContact O-N 2.93Å; L206-S210 WeakPolarHBondContact O-CB 3.39Å; L206-S210 PolarHBondContact O-N 3.43Å; L206-S210 PolarHBondContact O-OG 3.08Å
207A90.2Very high88.9Confident33 Ų3358.5 Ų58.527%0.27329%0.294SS..Hα-helixtrans-62.4-31.6168.500000111.8D203 S210 R211D203-A207 WeakPolarHBondContact O-CB 3.45Å; D203-A207 PolarHBondContact O-N 3.18Å; A207-S210 PolarHBondContact O-N 3Å; A207-R211 WeakPolarHBondContact O-CB 3.38Å; A207-R211 WeakPolarHBondContact O-CG 3.36Å; A207-R211 PolarHBondContact O-N 3.06Å; A207-R211 PolarHBondContact O-NE 3Å
208S90.1Very high89.5Confident7 Ų755.8 Ų55.85%0.04928%0.277CS..Hα-helixtrans-70.2-41.7173-58.70000112.4E204 L205 L206 S210 R211 V212E204-S208 WeakPolarHBondContact O-CB 3.33Å; E204-S208 PolarHBondContact O-N 2.69Å; E204-S208 PolarHBondContact O-OG 2.66Å; L205-S208 CarbonylContact O-C 3.36Å; L205-S208 WeakPolarHBondContact O-CA 3.48Å; L205-S208 VanDerWaalsContact O-CB 3.25Å; L205-S208 WeakPolarHBondContact O-CB 3.23Å; L205-S208 PolarHBondContact O-N 2.77Å; L206-S208 PolarHBondContact O-N 2.99Å; S208-S210 VanDerWaalsContact C-N 3.31Å; S208-S210 PolarHBondContact O-N 2.9Å; S208-R211 PolarHBondContact OG-NH2 3.21Å; S208-V212 VanDerWaalsContact O-CG2 3.29Å; S208-V212 WeakPolarHBondContact O-CG2 3.49Å; S208-V212 PolarHBondContact O-N 2.8Å; S208-V212 VanDerWaalsContact O-N 3.12Å
209V91.8Very high90.1Very high5 Ų552.5 Ų52.53%0.0326%0.261CS..Hα-helixtrans-60.2-43.2170.9179.70000110.5L31 L34 I187 L192 L205 L206 V212 R213L31-V209 HydrophobicContact CB-CG1 4.29Å; L31-V209 HydrophobicContact CD1-CG1 4.17Å; L34-V209 HydrophobicContact CD1-CG1 4.05Å; L34-V209 HydrophobicContact CD1-CG2 4.35Å; I187-V209 HydrophobicContact CD1-CG1 4.37Å; I187-V209 HydrophobicContact CD1-CG2 4.22Å; L192-V209 HydrophobicContact CD1-CG2 4.15Å; L192-V209 HydrophobicContact CD2-CB 4.28Å; L192-V209 HydrophobicContact CD2-CG2 3.67Å; L205-V209 PolarHBondContact O-N 3.21Å; L206-V209 PolarHBondContact O-N 2.93Å; V209-V212 WeakPolarHBondContact O-CB 3.37Å; V209-V212 PolarHBondContact O-N 3.01Å; V209-V212 VanDerWaalsContact O-N 3.17Å; V209-R213 PolarHBondContact O-N 3.48Å
210S90.9Very high90.5Very high47 Ų4752.1 Ų52.133%0.32926%0.258SS..Hα-helixtrans-64.8-44.4-178.5-59.50000112.2L206 A207 S208 V212 R213 Q214L206-S210 WeakPolarHBondContact O-CB 3.39Å; L206-S210 PolarHBondContact O-N 3.43Å; L206-S210 PolarHBondContact O-OG 3.08Å; A207-S210 PolarHBondContact O-N 3Å; S208-S210 VanDerWaalsContact C-N 3.31Å; S208-S210 PolarHBondContact O-N 2.9Å; S210-V212 VanDerWaalsContact C-N 3.3Å; S210-V212 PolarHBondContact O-N 3.1Å; S210-R213 PolarHBondContact O-N 3.41Å; S210-Q214 WeakPolarHBondContact O-CB 3.32Å; S210-Q214 WeakPolarHBondContact O-CG 3.45Å; S210-Q214 PolarHBondContact O-N 2.92Å
211R89.2Confident91Very high125 Ų12546.8 Ų46.847%0.47223%0.226SC..Hα-helixtrans-59.1-38.5171.6-77.8-177.8-68.3-100.42.6112.5A207 S208 Q214 S215A207-R211 WeakPolarHBondContact O-CB 3.38Å; A207-R211 WeakPolarHBondContact O-CG 3.36Å; A207-R211 PolarHBondContact O-N 3.06Å; A207-R211 PolarHBondContact O-NE 3Å; S208-R211 PolarHBondContact OG-NH2 3.21Å; R211-Q214 PolarHBondContact O-N 3.48Å; R211-S215 VanDerWaalsContact O-CB 3.28Å; R211-S215 WeakPolarHBondContact O-CB 3.41Å; R211-S215 PolarHBondContact O-N 2.84Å
212V91.6Very high91.4Very high1 Ų144 Ų441%0.00621%0.209CC..Hα-helixtrans-66.4-46.5176.81700000110.7F21 V191 L192 S208 V209 S210 Q214 S215 W218 L306F21-V212 HydrophobicContact CB-CG1 4.36Å; F21-V212 HydrophobicContact CD1-CG1 3.72Å; F21-V212 HydrophobicContact CD2-CG1 3.91Å; F21-V212 HydrophobicContact CE1-CG1 3.91Å; F21-V212 HydrophobicContact CE2-CG1 4.11Å; F21-V212 HydrophobicContact CG-CG1 3.73Å; F21-V212 HydrophobicContact CZ-CG1 4.11Å; V191-V212 HydrophobicContact CG1-CB 4.4Å; V191-V212 HydrophobicContact CG1-CG1 3.6Å; V191-V212 HydrophobicContact CG1-CG2 3.81Å; V191-V212 VanDerWaalsContact O-CG2 3.27Å; V191-V212 WeakPolarHBondContact O-CG2 3.33Å; L192-V212 HydrophobicContact CD2-CG2 4.25Å; S208-V212 VanDerWaalsContact O-CG2 3.29Å; S208-V212 WeakPolarHBondContact O-CG2 3.49Å; S208-V212 PolarHBondContact O-N 2.8Å; S208-V212 VanDerWaalsContact O-N 3.12Å; V209-V212 WeakPolarHBondContact O-CB 3.37Å; V209-V212 PolarHBondContact O-N 3.01Å; V209-V212 VanDerWaalsContact O-N 3.17Å; S210-V212 VanDerWaalsContact C-N 3.3Å; S210-V212 PolarHBondContact O-N 3.1Å; V212-Q214 VanDerWaalsContact C-N 3.3Å; V212-Q214 PolarHBondContact O-N 3.25Å; V212-S215 PolarHBondContact O-N 3.37Å; V212-S215 VanDerWaalsContact O-N 3.14Å; V212-S215 PolarHBondContact O-OG 2.94Å; V212-W218 HydrophobicContact CG1-CZ2 4.17Å; V212-L306 HydrophobicContact CG2-CD1 4.35Å
213R90.4Very high91.7Very high68 Ų6841.6 Ų41.626%0.25720%0.197SC..Hα-helixtrans-61.5-34.5175.6-173.5-179.571-172.32113.4A27 V209 S210A27-R213 HydrophobicContact CB-CG 3.89Å; A27-R213 WeakPolarHBondContact O-CD 3.44Å; V209-R213 PolarHBondContact O-N 3.48Å; S210-R213 PolarHBondContact O-N 3.41Å
214Q87.8Confident91.7Very high143 Ų14337.4 Ų37.467%0.66818%0.176SC*.Hα-helixtrans-81.3-18.1176.9-71.5168.9-26.300113.1S210 R211 V212S210-Q214 WeakPolarHBondContact O-CB 3.32Å; S210-Q214 WeakPolarHBondContact O-CG 3.45Å; S210-Q214 PolarHBondContact O-N 2.92Å; R211-Q214 PolarHBondContact O-N 3.48Å; V212-Q214 VanDerWaalsContact C-N 3.3Å; V212-Q214 PolarHBondContact O-N 3.25Å
215S90.6Very high91.3Very high1 Ų134.3 Ų34.31%0.00717%0.169CC..  trans-76.9141.6-178.868.70000112.3F22 R211 V212 W218F22-S215 WeakPolarHBondContact CE1-O 3.26Å; R211-S215 VanDerWaalsContact O-CB 3.28Å; R211-S215 WeakPolarHBondContact O-CB 3.41Å; R211-S215 PolarHBondContact O-N 2.84Å; V212-S215 PolarHBondContact O-N 3.37Å; V212-S215 VanDerWaalsContact O-N 3.14Å; V212-S215 PolarHBondContact O-OG 2.94Å; S215-W218 PolarHBondContact OG-NE1 3.31Å
216R90.6Very high91.3Very high138 Ų13834.3 Ų34.352%0.52117%0.169SC..  trans-126-41.1-177-79.9-83.2-68-103.4-8.7112.3D234 G235R216-D234 IonicContact CZ-OD1 3.56Å; R216-D234 IonicContact NE-OD1 3.47Å; R216-D234 PolarHBondContact NE-OD1 2.91Å; R216-D234 IonicContact NH2-OD1 3.06Å; R216-D234 PolarHBondContact NH2-OD1 3.29Å; R216-D234 VanDerWaalsContact NH2-OD1 3.08Å; R216-D234 CarbonylContact O-C 3.52Å; R216-D234 WeakPolarHBondContact O-CA 3.49Å; R216-G235 PolarHBondContact O-N 2.82Å
217K92.9Very high91.3Very high40 Ų4036 Ų3617%0.17417%0.174CC..EExtended strand (participates in β ladder)trans-98.5108.6-173.2-71.3-176177.1178.10111.1F233 D234 C304 Q305 L359K217-F233 VanDerWaalsContact CA-O 3.27Å; K217-F233 WeakPolarHBondContact CA-O 3.49Å; K217-D234 WeakPolarHBondContact CE-OD2 3.25Å; K217-D234 HydrophobicContact CG-CB 4.15Å; K217-D234 IonicContact NZ-OD2 3.77Å; K217-C304 CarbonylContact O-C 3.51Å; K217-C304 WeakPolarHBondContact O-CA 3.2Å; K217-C304 WeakPolarHBondContact O-CB 3.29Å; K217-Q305 PolarHBondContact O-N 2.86Å; K217-Q305 PolarHBondContact O-OE1 2.8Å; K217-L359 VanDerWaalsContact NZ-CD1 3.29Å; K217-L359 VanDerWaalsContact NZ-CD2 3.32Å
218W95.5Very high91.5Very high0 Ų034.6 Ų34.60%016%0.162CC..EExtended strand (participates in β ladder)trans-120136.9-175.2-69.914.5000110.2F21 F22 V191 V212 S215 I232 F233 L306 F308 L404F21-W218 HydrophobicContact CD2-CH2 4.28Å; F22-W218 HydrophobicContact CE1-CD2 4.44Å; F22-W218 AromaticContact CE1-CE2 3.95Å; F22-W218 HydrophobicContact CE1-CZ2 4.12Å; F22-W218 HydrophobicContact CZ-CD2 4Å; F22-W218 AromaticContact CZ-CE2 3.94Å; F22-W218 HydrophobicContact CZ-CE3 4.25Å; F22-W218 HydrophobicContact CZ-CG 4.5Å; F22-W218 HydrophobicContact CZ-CH2 4.43Å; F22-W218 HydrophobicContact CZ-CZ2 4.16Å; F22-W218 HydrophobicContact CZ-CZ3 4.47Å; V191-W218 HydrophobicContact CG1-CH2 3.97Å; V191-W218 HydrophobicContact CG1-CZ2 4.43Å; V212-W218 HydrophobicContact CG1-CZ2 4.17Å; S215-W218 PolarHBondContact OG-NE1 3.31Å; W218-I232 WeakPolarHBondContact O-CA 3.45Å; W218-F233 PolarHBondContact N-O 3.23Å; W218-F233 PolarHBondContact O-N 3.13Å; W218-L306 WeakPolarHBondContact CA-O 3.41Å; W218-L306 HydrophobicContact CD2-CD1 4.31Å; W218-L306 HydrophobicContact CG-CB 4.26Å; W218-L306 HydrophobicContact CZ2-CD1 3.84Å; W218-F308 AromaticContact CD2-CE2 3.87Å; W218-F308 HydrophobicContact CD2-CE2 3.87Å; W218-F308 HydrophobicContact CE3-CD2 4.4Å; W218-F308 AromaticContact CE3-CE2 3.57Å; W218-F308 HydrophobicContact CE3-CE2 3.57Å; W218-F308 HydrophobicContact CE3-CZ 4.23Å; W218-F308 HydrophobicContact CG-CE2 4.35Å; W218-F308 AromaticContact CZ3-CE2 3.96Å; W218-F308 HydrophobicContact CZ3-CE2 3.96Å; W218-F308 HydrophobicContact CZ3-CZ 4.16Å; W218-L404 WeakPolarHBondContact CH2-O 3.44Å; W218-L404 HydrophobicContact CZ3-CB 4.13Å; W218-L404 WeakPolarHBondContact CZ3-O 3.43Å
219A96Very high91.8Very high0 Ų034.2 Ų34.20%016%0.159CC..EExtended strand (participates in β ladder)trans-109.9141.8170.600000111G231 I232 L301 L306 I307 F308A219-G231 WeakPolarHBondContact CA-O 3.37Å; A219-I232 HydrophobicContact CB-CG1 4.08Å; A219-L301 HydrophobicContact CB-CD2 3.71Å; A219-L306 PolarHBondContact N-O 3.45Å; A219-I307 HydrophobicContact CB-CG1 4.27Å; A219-I307 HydrophobicContact CB-CG2 4.13Å; A219-F308 PolarHBondContact O-N 3.34Å
220I95.7Very high92Very high0 Ų034 Ų340%016%0.158CC..EExtended strand (participates in β ladder)trans-127120.2174.6-61.5-172.9000108.8L222 G230 G231 F308 I385 V397 L400 H401I220-L222 HydrophobicContact CG2-CD2 4.23Å; I220-L222 HydrophobicContact CG2-CG 4.44Å; I220-G230 CarbonylContact O-C 3.59Å; I220-G230 VanDerWaalsContact O-CA 3.26Å; I220-G230 WeakPolarHBondContact O-CA 3.48Å; I220-G231 PolarHBondContact N-O 3.33Å; I220-G231 PolarHBondContact O-N 3.2Å; I220-F308 CarbonylContact C-O 3.59Å; I220-F308 WeakPolarHBondContact CA-O 3.44Å; I220-F308 HydrophobicContact CG1-CB 4.23Å; I220-F308 HydrophobicContact CG1-CD2 4.4Å; I220-I385 HydrophobicContact CG2-CD1 4.07Å; I220-V397 HydrophobicContact CB-CG1 3.85Å; I220-V397 HydrophobicContact CG2-CG1 3.85Å; I220-L400 HydrophobicContact CD1-CB 4.39Å; I220-H401 VanDerWaalsContact CD1-CA 3.46Å; I220-H401 HydrophobicContact CD1-CB 3.71Å
221L95.3Very high92.3Very high0 Ų031.8 Ų31.80%014%0.142CC..EExtended strand (participates in β ladder)trans-126113.8-172.4-57177.9000111.7F228 L293 W297 I307 F308 L309 W310 F319 M375L221-F228 HydrophobicContact CD2-CE2 4.26Å; L221-F228 HydrophobicContact CD2-CZ 4.01Å; L221-L293 HydrophobicContact CD1-CD2 3.84Å; L221-L293 HydrophobicContact CD2-CD2 4.02Å; L221-W297 HydrophobicContact CD2-CE3 4.46Å; L221-W297 HydrophobicContact CD2-CZ3 3.93Å; L221-I307 HydrophobicContact CD1-CG2 4.02Å; L221-F308 PolarHBondContact N-O 2.88Å; L221-L309 HydrophobicContact CB-CB 4.3Å; L221-L309 CarbonylContact O-C 3.57Å; L221-L309 VanDerWaalsContact O-CA 3.23Å; L221-L309 WeakPolarHBondContact O-CA 3.24Å; L221-W310 PolarHBondContact O-N 2.85Å; L221-F319 HydrophobicContact CB-CE1 4.17Å; L221-F319 HydrophobicContact CB-CZ 4.35Å; L221-M375 HydrophobicContact CD1-CE 4Å; L221-M375 HydrophobicContact CD1-SD 4.24Å
222L94.7Very high92.6Very high0 Ų026 Ų260%012%0.12CC..EExtended strand (participates in β ladder)trans-114.1129.1-177.3-51.5-179.4000110.8I220 F228 A229 W310 I385 I392 H396 V397 L400I220-L222 HydrophobicContact CG2-CD2 4.23Å; I220-L222 HydrophobicContact CG2-CG 4.44Å; L222-F228 VanDerWaalsContact O-CA 3.3Å; L222-F228 WeakPolarHBondContact O-CA 3.26Å; L222-F228 WeakPolarHBondContact O-CD2 3.18Å; L222-A229 WeakPolarHBondContact CB-O 3.33Å; L222-A229 PolarHBondContact N-O 3.29Å; L222-A229 PolarHBondContact O-N 2.92Å; L222-W310 HydrophobicContact CD2-CB 3.64Å; L222-I385 HydrophobicContact CD2-CD1 4.3Å; L222-I392 HydrophobicContact CB-CD1 4.09Å; L222-I392 HydrophobicContact CB-CG1 4.16Å; L222-I392 HydrophobicContact CB-CG2 3.97Å; L222-H396 HydrophobicContact CD1-CB 4.47Å; L222-V397 HydrophobicContact CD1-CG2 3.74Å; L222-V397 HydrophobicContact CG-CG2 4.18Å; L222-L400 HydrophobicContact CD1-CD1 4.15Å; L222-L400 HydrophobicContact CD2-CD1 3.82Å
223Y92.8Very high92.9Very high6 Ų626.1 Ų26.12%0.02412%0.121CC..EExtended strand (participates in β ladder)trans-139.7133.4172.1-178.9-96.2000114.6G226 K227 F228 I285 I289 W310 S311 P312 H315 I318Y223-G226 PolarHBondContact OH-N 2.89Å; Y223-K227 WeakPolarHBondContact CA-O 3.44Å; Y223-K227 WeakPolarHBondContact CD2-O 3.33Å; Y223-F228 HydrophobicContact CD2-CB 4.14Å; Y223-I285 HydrophobicContact CE2-CD1 3.94Å; Y223-I285 HydrophobicContact CE2-CG1 4.29Å; Y223-I285 HydrophobicContact CE2-CG2 4.34Å; Y223-I289 HydrophobicContact CD2-CD1 3.72Å; Y223-I289 HydrophobicContact CE2-CD1 4.04Å; Y223-I289 HydrophobicContact CG-CD1 4.48Å; Y223-W310 PolarHBondContact N-O 3.3Å; Y223-S311 WeakPolarHBondContact O-CA 3.33Å; Y223-S311 WeakPolarHBondContact O-CB 3.21Å; Y223-P312 WeakPolarHBondContact O-CD 3.33Å; Y223-H315 HydrophobicContact CD1-CB 3.68Å; Y223-H315 HydrophobicContact CE1-CB 3.68Å; Y223-H315 AromaticContact CE1-CD2 3.69Å; Y223-H315 AromaticContact CE1-CG 3.65Å; Y223-I318 HydrophobicContact CD1-CB 4.5Å; Y223-I318 HydrophobicContact CD1-CD1 3.92Å; Y223-I318 HydrophobicContact CD1-CG2 3.76Å; Y223-I318 HydrophobicContact CD2-CD1 3.96Å; Y223-I318 HydrophobicContact CE1-CD1 3.57Å; Y223-I318 HydrophobicContact CE1-CG2 4.41Å; Y223-I318 HydrophobicContact CE2-CD1 3.63Å; Y223-I318 HydrophobicContact CG-CD1 4.1Å; Y223-I318 HydrophobicContact CG-CG2 3.87Å; Y223-I318 VanDerWaalsContact CZ-CD1 3.41Å
224S89Confident93Very high29 Ų2924.6 Ų24.620%0.20312%0.118CC..EExtended strand (participates in β ladder)trans-163.3134.9173-173.40000111.2G226 K227S224-G226 VanDerWaalsContact C-N 3.33Å; S224-G226 PolarHBondContact O-N 3.1Å; S224-G226 VanDerWaalsContact O-N 3.16Å; S224-K227 PolarHBondContact N-O 2.84Å; S224-K227 PolarHBondContact O-N 3.11Å
225G82.3Confident93.3Very high25 Ų2518 Ų1826%0.2589%0.089SC..THydrogen-bonded Turntrans54.938.6164.200000116T248G225-T248 PolarHBondContact O-OG1 3.42Å
226G87.9Confident93.3Very high0 Ų021.7 Ų21.70%011%0.111CC..THydrogen-bonded Turntrans79.516.7-178.200000114.8Y223 S224 H245 S246 T248 I285Y223-G226 PolarHBondContact OH-N 2.89Å; S224-G226 VanDerWaalsContact C-N 3.33Å; S224-G226 PolarHBondContact O-N 3.1Å; S224-G226 VanDerWaalsContact O-N 3.16Å; G226-H245 WeakPolarHBondContact O-CA 3.49Å; G226-H245 PolarHBondContact O-ND1 3.25Å; G226-S246 WeakPolarHBondContact CA-O 3.47Å; G226-S246 PolarHBondContact O-N 3.12Å; G226-T248 VanDerWaalsContact CA-OG1 3.22Å; G226-T248 WeakPolarHBondContact CA-OG1 3.28Å; G226-T248 PolarHBondContact N-OG1 2.8Å; G226-T248 VanDerWaalsContact N-OG1 3.09Å; G226-I285 VanDerWaalsContact O-CD1 3.29Å; G226-I285 WeakPolarHBondContact O-CD1 3.44Å
227K92.1Very high93.4Very high88 Ų8820.5 Ų20.538%0.38312%0.115SC..EExtended strand (participates in β ladder)trans-122.9130.9171.4-66-172.9176.8-165.90110.6Y223 S224 H245 I392Y223-K227 WeakPolarHBondContact CA-O 3.44Å; Y223-K227 WeakPolarHBondContact CD2-O 3.33Å; S224-K227 PolarHBondContact N-O 2.84Å; S224-K227 PolarHBondContact O-N 3.11Å; K227-H245 WeakPolarHBondContact CG-ND1 3.47Å; K227-I392 HydrophobicContact CB-CB 4.2Å; K227-I392 HydrophobicContact CB-CG2 4.45Å
228F94.7Very high93.4Very high3 Ų322.1 Ų22.11%0.01312%0.123CC..EExtended strand (participates in β ladder)trans-120.2140.7171171.8-93.1000110L221 L222 Y223 K242 T243 L244 I289 L292 W297 F319L221-F228 HydrophobicContact CD2-CE2 4.26Å; L221-F228 HydrophobicContact CD2-CZ 4.01Å; L222-F228 VanDerWaalsContact O-CA 3.3Å; L222-F228 WeakPolarHBondContact O-CA 3.26Å; L222-F228 WeakPolarHBondContact O-CD2 3.18Å; Y223-F228 HydrophobicContact CD2-CB 4.14Å; F228-K242 WeakPolarHBondContact CE1-O 3.5Å; F228-T243 WeakPolarHBondContact O-CA 3.31Å; F228-L244 HydrophobicContact CB-CB 4.13Å; F228-L244 HydrophobicContact CD1-CB 4.35Å; F228-L244 HydrophobicContact CD1-CD1 3.92Å; F228-L244 HydrophobicContact CD1-CG 4.02Å; F228-L244 HydrophobicContact CE1-CD1 4.49Å; F228-L244 HydrophobicContact CG-CD1 4.41Å; F228-L244 PolarHBondContact N-O 3.07Å; F228-L244 PolarHBondContact O-N 3.02Å; F228-I289 HydrophobicContact CB-CD1 3.92Å; F228-I289 HydrophobicContact CB-CG1 4.23Å; F228-I289 HydrophobicContact CD2-CD1 3.89Å; F228-I289 HydrophobicContact CD2-CG1 3.99Å; F228-I289 HydrophobicContact CG-CD1 4.09Å; F228-I289 HydrophobicContact CG-CG1 4.04Å; F228-L292 HydrophobicContact CD1-CD2 4.33Å; F228-L292 HydrophobicContact CE1-CD2 3.42Å; F228-L292 VanDerWaalsContact CE1-CD2 3.42Å; F228-L292 HydrophobicContact CZ-CD2 3.77Å; F228-W297 HydrophobicContact CZ-CZ3 4.43Å; F228-F319 HydrophobicContact CD2-CE1 4.13Å; F228-F319 HydrophobicContact CE2-CE1 4Å
229A96Very high93.4Very high0 Ų025.4 Ų25.40%014%0.143CC..EExtended strand (participates in β ladder)trans-138.3128.2161.700000108.6L222 T243 I392 V397L222-A229 WeakPolarHBondContact CB-O 3.33Å; L222-A229 PolarHBondContact N-O 3.29Å; L222-A229 PolarHBondContact O-N 2.92Å; A229-T243 HydrophobicContact CB-CG2 3.96Å; A229-I392 HydrophobicContact CB-CG2 3.47Å; A229-I392 VanDerWaalsContact CB-CG2 3.47Å; A229-V397 HydrophobicContact CB-CG2 3.61Å
230G96.2Very high93.4Very high0 Ų027.9 Ų27.90%016%0.158CC..EExtended strand (participates in β ladder)trans-127.6151.3175.800000111.3I220 H241 K242I220-G230 CarbonylContact O-C 3.59Å; I220-G230 VanDerWaalsContact O-CA 3.26Å; I220-G230 WeakPolarHBondContact O-CA 3.48Å; G230-H241 WeakPolarHBondContact O-CA 3.39Å; G230-K242 PolarHBondContact N-O 3.35Å; G230-K242 PolarHBondContact O-N 2.67Å
231G96.7Very high93.4Very high0 Ų032 Ų320%018%0.177CC..EExtended strand (participates in β ladder)trans-148.3145.7169.900000111.2A219 I220 V240A219-G231 WeakPolarHBondContact CA-O 3.37Å; I220-G231 PolarHBondContact N-O 3.33Å; I220-G231 PolarHBondContact O-N 3.2Å; G231-V240 WeakPolarHBondContact CA-O 3.44Å
232I96.6Very high93.5Very high3 Ų336.8 Ų36.82%0.01520%0.198CC..EExtended strand (participates in β ladder)trans-118.9132.6171.8-58.5-178.6000107.5W218 A219 V239 V240 W297 L300 L301W218-I232 WeakPolarHBondContact O-CA 3.45Å; A219-I232 HydrophobicContact CB-CG1 4.08Å; I232-V239 HydrophobicContact CG2-CB 4.45Å; I232-V239 WeakPolarHBondContact O-CB 3.1Å; I232-V239 PolarHBondContact O-N 2.99Å; I232-V240 PolarHBondContact N-O 3.36Å; I232-V240 PolarHBondContact O-N 3.35Å; I232-W297 HydrophobicContact CD1-CB 4.19Å; I232-W297 HydrophobicContact CD1-CD2 3.97Å; I232-W297 HydrophobicContact CD1-CE3 3.87Å; I232-W297 HydrophobicContact CD1-CG 4.15Å; I232-W297 HydrophobicContact CG1-CE3 4.21Å; I232-W297 HydrophobicContact CG1-CZ3 4.36Å; I232-L300 HydrophobicContact CD1-CB 3.56Å; I232-L300 HydrophobicContact CD1-CD1 4.2Å; I232-L301 HydrophobicContact CD1-CD2 4Å; I232-L301 HydrophobicContact CD1-CG 4.12Å
233F96.5Very high93.6Very high4 Ų440.2 Ų40.22%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-127.4151.8-172.7-56.9-91.1000110.6K217 W218 N237 E238 Y394 V397 K398 H401K217-F233 VanDerWaalsContact CA-O 3.27Å; K217-F233 WeakPolarHBondContact CA-O 3.49Å; W218-F233 PolarHBondContact N-O 3.23Å; W218-F233 PolarHBondContact O-N 3.13Å; F233-N237 CarbonylContact C-O 3.47Å; F233-N237 WeakPolarHBondContact CA-O 3.24Å; F233-N237 WeakPolarHBondContact CB-O 3.32Å; F233-E238 HydrophobicContact CD1-CB 4.25Å; F233-E238 HydrophobicContact CE1-CB 4.26Å; F233-E238 HydrophobicContact CE1-CG 4.41Å; F233-Y394 WeakPolarHBondContact CE1-OH 3.45Å; F233-Y394 HydrophobicContact CZ-CE2 4.28Å; F233-Y394 WeakPolarHBondContact CZ-OH 3.22Å; F233-V397 HydrophobicContact CE2-CG1 3.92Å; F233-V397 HydrophobicContact CZ-CG1 4.01Å; F233-K398 HydrophobicContact CE1-CG 4.34Å; F233-K398 HydrophobicContact CZ-CG 4.36Å; F233-H401 AromaticContact CD1-ND1 3.91Å; F233-H401 HydrophobicContact CD2-CB 4.44Å; F233-H401 AromaticContact CD2-CD2 3.53Å; F233-H401 AromaticContact CD2-CG 3.86Å; F233-H401 AromaticContact CD2-NE2 3.96Å; F233-H401 HydrophobicContact CE1-CB 4.45Å; F233-H401 HydrophobicContact CE2-CB 4.09Å; F233-H401 AromaticContact CE2-CG 3.99Å; F233-H401 AromaticContact CG-CD2 3.7Å; F233-H401 AromaticContact CG-CE1 3.86Å; F233-H401 AromaticContact CG-CG 3.91Å; F233-H401 AromaticContact CG-NE2 3.69Å; F233-H401 HydrophobicContact CZ-CB 4.08Å
234D94Very high93.6Very high37 Ų3741.1 Ų41.120%0.19822%0.224CC..EExtended strand (participates in β ladder)trans-125.9105.1169.9-172.4-30.4000108.4R216 K217 T236 N237 V239R216-D234 IonicContact CZ-OD1 3.56Å; R216-D234 IonicContact NE-OD1 3.47Å; R216-D234 PolarHBondContact NE-OD1 2.91Å; R216-D234 IonicContact NH2-OD1 3.06Å; R216-D234 PolarHBondContact NH2-OD1 3.29Å; R216-D234 VanDerWaalsContact NH2-OD1 3.08Å; R216-D234 CarbonylContact O-C 3.52Å; R216-D234 WeakPolarHBondContact O-CA 3.49Å; K217-D234 WeakPolarHBondContact CE-OD2 3.25Å; K217-D234 HydrophobicContact CG-CB 4.15Å; K217-D234 IonicContact NZ-OD2 3.77Å; D234-T236 PolarHBondContact O-N 3.35Å; D234-N237 PolarHBondContact N-O 3.08Å; D234-N237 WeakPolarHBondContact O-CB 3.37Å; D234-N237 PolarHBondContact O-N 3.11Å; D234-N237 VanDerWaalsContact O-N 3.08Å; D234-V239 HydrophobicContact CB-CG2 3.79Å
235G92.2Very high93.8Very high5 Ų545.6 Ų45.65%0.05224%0.242CC..THydrogen-bonded Turntrans58.2-132.1-163.400000110.3F22 R216 N237 H401F22-G235 VanDerWaalsContact CD2-C 3.44Å; F22-G235 VanDerWaalsContact CE2-O 3.26Å; F22-G235 WeakPolarHBondContact CE2-O 3.28Å; R216-G235 PolarHBondContact O-N 2.82Å; G235-N237 VanDerWaalsContact C-N 3.28Å; G235-N237 PolarHBondContact O-N 3.04Å; G235-H401 PolarHBondContact O-CE1 3.17Å
236T91Very high94.2Very high78 Ų7845.1 Ų45.148%0.47924%0.235SC..THydrogen-bonded Turntrans-71.5-18.3174.145.40000114.4F22 D234F22-T236 HydrophobicContact CD2-CG2 4.47Å; D234-T236 PolarHBondContact O-N 3.35Å
237N93.6Very high94Very high113 Ų11350.3 Ų50.360%0.60426%0.255SS*.EExtended strand (participates in β ladder)trans-84.4142.2-168.9-67.1-39.5000112.3F233 D234 G235F233-N237 CarbonylContact C-O 3.47Å; F233-N237 WeakPolarHBondContact CA-O 3.24Å; F233-N237 WeakPolarHBondContact CB-O 3.32Å; D234-N237 PolarHBondContact N-O 3.08Å; D234-N237 WeakPolarHBondContact O-CB 3.37Å; D234-N237 PolarHBondContact O-N 3.11Å; D234-N237 VanDerWaalsContact O-N 3.08Å; G235-N237 VanDerWaalsContact C-N 3.28Å; G235-N237 PolarHBondContact O-N 3.04Å
238E93.5Very high93.6Very high73 Ų7346.2 Ų46.234%0.34124%0.237SC..EExtended strand (participates in β ladder)trans-82.8126.3174.2-179.9-175.8160.500110.2F233 H241 Y394 K398F233-E238 HydrophobicContact CD1-CB 4.25Å; F233-E238 HydrophobicContact CE1-CB 4.26Å; F233-E238 HydrophobicContact CE1-CG 4.41Å; E238-H241 IonicContact OE1-CE1 2.67Å; E238-H241 IonicContact OE1-CG 3.43Å; E238-H241 IonicContact OE1-ND1 2.72Å; E238-H241 PolarHBondContact OE1-ND1 3.26Å; E238-Y394 VanDerWaalsContact CG-OH 3.31Å; E238-Y394 WeakPolarHBondContact CG-OH 3.41Å; E238-Y394 PolarHBondContact OE1-OH 2.87Å; E238-Y394 PolarHBondContact OE2-OH 3.42Å; E238-K398 WeakPolarHBondContact OE2-CE 3.28Å; E238-K398 IonicContact OE2-NZ 2.7Å; E238-K398 PolarHBondContact OE2-NZ 3.32Å
239V94.5Very high92.8Very high70 Ų7048.2 Ų48.242%0.42425%0.25SC..EExtended strand (participates in β ladder)trans-96.8-52.8179.8-172.70000110.6I232 D234I232-V239 HydrophobicContact CG2-CB 4.45Å; I232-V239 WeakPolarHBondContact O-CB 3.1Å; I232-V239 PolarHBondContact O-N 2.99Å; D234-V239 HydrophobicContact CB-CG2 3.79Å
240V96.2Very high91.7Very high52 Ų5253.1 Ų53.132%0.31527%0.268SS..EExtended strand (participates in β ladder)trans-151142173.4-170.90000109.5G231 I232 W297 L300G231-V240 WeakPolarHBondContact CA-O 3.44Å; I232-V240 PolarHBondContact N-O 3.36Å; I232-V240 PolarHBondContact O-N 3.35Å; V240-W297 HydrophobicContact CB-CZ2 4.42Å; V240-W297 HydrophobicContact CG1-CZ2 3.89Å; V240-L300 HydrophobicContact CB-CD1 4.38Å; V240-L300 HydrophobicContact CG2-CD1 3.65Å
241H96.5Very high90Very high86 Ų8656.9 Ų56.940%0.39830%0.299SS..EExtended strand (participates in β ladder)trans-123.2161.7165.978.3-95000112.5G230 E238 Y394G230-H241 WeakPolarHBondContact O-CA 3.39Å; E238-H241 IonicContact OE1-CE1 2.67Å; E238-H241 IonicContact OE1-CG 3.43Å; E238-H241 IonicContact OE1-ND1 2.72Å; E238-H241 PolarHBondContact OE1-ND1 3.26Å; H241-Y394 HydrophobicContact CB-CD1 4.22Å; H241-Y394 HydrophobicContact CB-CD2 3.68Å; H241-Y394 HydrophobicContact CB-CE1 3.88Å; H241-Y394 HydrophobicContact CB-CE2 3.33Å; H241-Y394 HydrophobicContact CB-CG 4.16Å; H241-Y394 VanDerWaalsContact CB-CZ 3.47Å; H241-Y394 AromaticContact CG-CD1 3.93Å; H241-Y394 AromaticContact CG-CE1 3.83Å; H241-Y394 AromaticContact CG-CZ 3.97Å; H241-Y394 AromaticContact ND1-CE1 3.93Å
242K96.4Very high88.2Confident100 Ų10066.5 Ų66.544%0.43534%0.341SS..EExtended strand (participates in β ladder)trans-153136.2167.7-16768.2177.8-178.70111.1F228 G230 L244 L292 W297F228-K242 WeakPolarHBondContact CE1-O 3.5Å; G230-K242 PolarHBondContact N-O 3.35Å; G230-K242 PolarHBondContact O-N 2.67Å; K242-L244 HydrophobicContact CG-CD2 4.08Å; K242-L244 HydrophobicContact CG-CG 4.26Å; K242-L292 HydrophobicContact CB-CD1 4.2Å; K242-L292 HydrophobicContact CB-CD2 3.86Å; K242-L292 HydrophobicContact CG-CD1 4.14Å; K242-L292 HydrophobicContact CG-CD2 3.97Å; K242-W297 HydrophobicContact CB-CH2 3.87Å; K242-W297 HydrophobicContact CB-CZ2 3.58Å
243T96.1Very high86.3Confident72 Ų7272 Ų7244%0.44237%0.367SS..EExtended strand (participates in β ladder)trans-111.4143.7165.151.80000109.5F228 A229F228-T243 WeakPolarHBondContact O-CA 3.31Å; A229-T243 HydrophobicContact CB-CG2 3.96Å
244L94.2Very high84.4Confident26 Ų2675.8 Ų75.814%0.13641%0.407CS..EExtended strand (participates in β ladder)trans-135.4142.9175.1-53.6165.4000108.8F228 K242 I285 E288 I289 L292F228-L244 HydrophobicContact CB-CB 4.13Å; F228-L244 HydrophobicContact CD1-CB 4.35Å; F228-L244 HydrophobicContact CD1-CD1 3.92Å; F228-L244 HydrophobicContact CD1-CG 4.02Å; F228-L244 HydrophobicContact CE1-CD1 4.49Å; F228-L244 HydrophobicContact CG-CD1 4.41Å; F228-L244 PolarHBondContact N-O 3.07Å; F228-L244 PolarHBondContact O-N 3.02Å; K242-L244 HydrophobicContact CG-CD2 4.08Å; K242-L244 HydrophobicContact CG-CG 4.26Å; L244-I285 HydrophobicContact CB-CD1 4.43Å; L244-I285 HydrophobicContact CB-CG1 4.48Å; L244-E288 HydrophobicContact CD1-CB 3.84Å; L244-E288 HydrophobicContact CD2-CB 4.49Å; L244-I289 HydrophobicContact CD1-CG1 3.81Å; L244-L292 HydrophobicContact CD1-CD2 4.31Å
245H92.8Very high83.1Confident123 Ų12375.9 Ų75.957%0.56942%0.417SS*.EExtended strand (participates in β ladder)trans-143127.4177.8-175.628.9000111.8G226 K227G226-H245 WeakPolarHBondContact O-CA 3.49Å; G226-H245 PolarHBondContact O-ND1 3.25Å; K227-H245 WeakPolarHBondContact CG-ND1 3.47Å
246S89.5Confident82Confident15 Ų1576.2 Ų76.211%0.10542%0.421CS..  trans-135.2149.7171.8-45.50000110.4G226 T248 G281G226-S246 WeakPolarHBondContact CA-O 3.47Å; G226-S246 PolarHBondContact O-N 3.12Å; S246-T248 PolarHBondContact O-N 2.94Å; S246-T248 VanDerWaalsContact O-N 3.15Å; S246-G281 WeakPolarHBondContact CB-O 3.49Å
247Y85.3Confident81.3Confident108 Ų10872.7 Ų72.742%0.42440%0.399SS..  trans-79.398-177-177.4-103.1000111.8V249 L277 R278Y247-V249 WeakPolarHBondContact CE2-O 3.25Å; Y247-L277 HydrophobicContact CD1-CD2 4.06Å; Y247-L277 HydrophobicContact CD1-CG 4.29Å; Y247-L277 HydrophobicContact CE1-CD2 4.48Å; Y247-R278 HydrophobicContact CD1-CG 3.7Å; Y247-R278 HydrophobicContact CE1-CG 3.63Å
248T83Confident80.3Confident3 Ų369.6 Ų69.62%0.01839%0.386CS..  trans-111.8-30.8-177.160.70000114.2G225 G226 S246 R278 E282 I285G225-T248 PolarHBondContact O-OG1 3.42Å; G226-T248 VanDerWaalsContact CA-OG1 3.22Å; G226-T248 WeakPolarHBondContact CA-OG1 3.28Å; G226-T248 PolarHBondContact N-OG1 2.8Å; G226-T248 VanDerWaalsContact N-OG1 3.09Å; S246-T248 PolarHBondContact O-N 2.94Å; S246-T248 VanDerWaalsContact O-N 3.15Å; T248-R278 WeakPolarHBondContact O-CB 3.1Å; T248-R278 VanDerWaalsContact O-CD 3.24Å; T248-R278 WeakPolarHBondContact O-CD 3.43Å; T248-R278 WeakPolarHBondContact O-CG 3.35Å; T248-E282 HydrophobicContact CG2-CB 4.29Å; T248-E282 HydrophobicContact CG2-CG 3.56Å; T248-I285 HydrophobicContact CG2-CG2 4.41Å
249V78Confident79.3Confident45 Ų4568.4 Ų68.427%0.27339%0.386SS..EExtended strand (participates in β ladder)trans-110.6137-175.7-174.70000110.7Y247Y247-V249 WeakPolarHBondContact CE2-O 3.25Å
250R71.9Confident78.2Confident103 Ų10370.2 Ų70.239%0.38939%0.386SS..EExtended strand (participates in β ladder)trans-75.2127.8175.1177-177.5-87175-3.5110.3K252 Q253R250-K252 PolarHBondContact O-N 3.37Å; R250-Q253 HydrophobicContact CB-CB 4.37Å; R250-Q253 HydrophobicContact CG-CB 4.25Å; R250-Q253 CarbonylContact O-C 3.57Å; R250-Q253 PolarHBondContact O-N 3.42Å; R250-Q253 VanDerWaalsContact O-N 3.07Å; R250-Q253 VanDerWaalsContact O-O 3.05Å
251A60.6Low77.1Confident79 Ų7968.7 Ų68.765%0.65338%0.376SS*.THydrogen-bonded Turntrans-53.8138.5173.200000111.8Q253A251-Q253 PolarHBondContact O-N 3.35Å; A251-Q253 VanDerWaalsContact O-N 3.07Å
252K60.3Low76Confident202 Ų20269.3 Ų69.388%0.87839%0.39SS*.THydrogen-bonded Turntrans62.1-5.8-173.1-55.1-174.2176.9-172.30116.9R250R250-K252 PolarHBondContact O-N 3.37Å
253Q56.9Low74.9Confident117 Ų11772.4 Ų72.455%0.54741%0.406SS..EExtended strand (participates in β ladder)trans-125.986.3174.1-70.6-170.7-42.800110.3R250 A251 G255R250-Q253 HydrophobicContact CB-CB 4.37Å; R250-Q253 HydrophobicContact CG-CB 4.25Å; R250-Q253 CarbonylContact O-C 3.57Å; R250-Q253 PolarHBondContact O-N 3.42Å; R250-Q253 VanDerWaalsContact O-N 3.07Å; R250-Q253 VanDerWaalsContact O-O 3.05Å; A251-Q253 PolarHBondContact O-N 3.35Å; A251-Q253 VanDerWaalsContact O-N 3.07Å; Q253-G255 PolarHBondContact O-N 3.06Å
254G56.5Low73.3Confident84 Ų8470.9 Ų70.987%0.86640%0.398SS*.EExtended strand (participates in β ladder)trans-74.849.4-166.100000117.1
255G66.3Low71.6Confident39 Ų3972.7 Ų72.740%0.40242%0.422SS..EExtended strand (participates in β ladder)trans-116.3143.1169.900000112Q253Q253-G255 PolarHBondContact O-N 3.06Å
256G69.9Low70Confident13 Ų1369.3 Ų69.313%0.13442%0.421CS..EExtended strand (participates in β ladder)trans-68.6150.2166.700000110.8S259 Y260G256-S259 PolarHBondContact O-N 2.81Å; G256-Y260 PolarHBondContact O-N 3.36Å
257Q75.4Confident68.3Low4 Ų476.3 Ų76.32%0.01946%0.456CS..Hα-helixtrans-70.7-38.1-178.2-176.454.450.200110.9S259 Y260 D261 A275 R278 R279 E282Q257-S259 VanDerWaalsContact C-N 3.34Å; Q257-S259 PolarHBondContact O-N 2.81Å; Q257-Y260 PolarHBondContact O-N 3.02Å; Q257-Y260 VanDerWaalsContact O-N 3.15Å; Q257-D261 WeakPolarHBondContact CG-OD2 3.5Å; Q257-D261 PolarHBondContact NE2-OD1 2.85Å; Q257-D261 PolarHBondContact NE2-OD2 2.74Å; Q257-D261 PolarHBondContact O-N 3.18Å; Q257-A275 HydrophobicContact CG-CB 4.48Å; Q257-R278 HydrophobicContact CB-CB 3.89Å; Q257-R278 HydrophobicContact CG-CB 4.31Å; Q257-R279 HydrophobicContact CG-CG 3.74Å; Q257-E282 WeakPolarHBondContact CB-OE1 3.47Å; Q257-E282 PolarHBondContact N-OE1 3.38Å
258S73Confident67Low48 Ų4873.8 Ų73.834%0.33646%0.463SS..Hα-helixtrans-53.6-46169.942.10000113.1Y260 D261 S262 E282S258-Y260 VanDerWaalsContact C-N 3.29Å; S258-Y260 PolarHBondContact O-N 2.76Å; S258-D261 PolarHBondContact O-N 3.48Å; S258-S262 PolarHBondContact O-N 3.25Å; S258-S262 PolarHBondContact O-OG 3.02Å; S258-S262 VanDerWaalsContact O-OG 3.11Å; S258-E282 WeakPolarHBondContact CB-OE2 3.42Å; S258-E282 PolarHBondContact N-OE1 3.09Å; S258-E282 PolarHBondContact N-OE2 3.25Å; S258-E282 PolarHBondContact OG-OE2 2.87Å
259S72.6Confident66Low48 Ų4873.8 Ų73.834%0.33646%0.463SS..Hα-helixtrans-63.4-33.5178.4-51.30000113.3G256 Q257 Q263G256-S259 PolarHBondContact O-N 2.81Å; Q257-S259 VanDerWaalsContact C-N 3.34Å; Q257-S259 PolarHBondContact O-N 2.81Å; S259-Q263 WeakPolarHBondContact O-CG 3.49Å; S259-Q263 PolarHBondContact O-N 2.89Å
260Y70.6Confident65.3Low108 Ų10873.4 Ų73.442%0.42447%0.465SS..Hα-helixtrans-72.9-42.5174.3-178.5-96000111.7G256 Q257 S258 S262 Q263 C264 A270G256-Y260 PolarHBondContact O-N 3.36Å; Q257-Y260 PolarHBondContact O-N 3.02Å; Q257-Y260 VanDerWaalsContact O-N 3.15Å; S258-Y260 VanDerWaalsContact C-N 3.29Å; S258-Y260 PolarHBondContact O-N 2.76Å; Y260-S262 VanDerWaalsContact C-N 3.32Å; Y260-S262 PolarHBondContact O-N 3.48Å; Y260-Q263 WeakPolarHBondContact O-CB 3.41Å; Y260-Q263 PolarHBondContact O-N 3.45Å; Y260-Q263 VanDerWaalsContact O-N 3.1Å; Y260-C264 PolarHBondContact O-N 2.95Å; Y260-A270 HydrophobicContact CE1-CB 3.91Å
261D74.3Confident65.5Low20 Ų2077.5 Ų77.511%0.10749%0.486CS..Hα-helixtrans-66.4-33.7178.8-67-36.9000112.1Q257 S258 C264 G265 G266 G269 R279Q257-D261 WeakPolarHBondContact CG-OD2 3.5Å; Q257-D261 PolarHBondContact NE2-OD1 2.85Å; Q257-D261 PolarHBondContact NE2-OD2 2.74Å; Q257-D261 PolarHBondContact O-N 3.18Å; S258-D261 PolarHBondContact O-N 3.48Å; D261-C264 CarbonylContact O-C 3.48Å; D261-C264 PolarHBondContact O-N 3.48Å; D261-G265 PolarHBondContact O-N 3.11Å; D261-G266 PolarHBondContact O-N 3.35Å; D261-G269 VanDerWaalsContact OD1-CA 3.23Å; D261-G269 WeakPolarHBondContact OD1-CA 3.35Å; D261-R279 VanDerWaalsContact CG-NH2 3.25Å; D261-R279 IonicContact OD1-CZ 3.54Å; D261-R279 IonicContact OD1-NE 3.46Å; D261-R279 IonicContact OD1-NH2 3.25Å; D261-R279 PolarHBondContact OD1-NH2 3.41Å; D261-R279 IonicContact OD2-CZ 2.74Å; D261-R279 IonicContact OD2-NE 3.58Å; D261-R279 PolarHBondContact OD2-NE 3.23Å; D261-R279 IonicContact OD2-NH2 2.76Å; D261-R279 PolarHBondContact OD2-NH2 3.39Å
262S72.5Confident66.4Low99 Ų9976.5 Ų76.569%0.69247%0.474SS*.Hα-helixtrans-63.8-37.9169-600000112.9S258 Y260 C264S258-S262 PolarHBondContact O-N 3.25Å; S258-S262 PolarHBondContact O-OG 3.02Å; S258-S262 VanDerWaalsContact O-OG 3.11Å; Y260-S262 VanDerWaalsContact C-N 3.32Å; Y260-S262 PolarHBondContact O-N 3.48Å; S262-C264 VanDerWaalsContact C-N 3.34Å
263Q73.3Confident67.5Low165 Ų16570.9 Ų70.977%0.77147%0.465SS*.Hα-helixtrans-71.6-28.2175.6-73.2174.6-6.300112.6S259 Y260S259-Q263 WeakPolarHBondContact O-CG 3.49Å; S259-Q263 PolarHBondContact O-N 2.89Å; Y260-Q263 WeakPolarHBondContact O-CB 3.41Å; Y260-Q263 PolarHBondContact O-N 3.45Å; Y260-Q263 VanDerWaalsContact O-N 3.1Å
264C63.2Low68.8Low40 Ų4067 Ų6727%0.2746%0.456SS..THydrogen-bonded Turntrans-95.422.2177.7-640000113.8Y260 D261 S262 G266 G268Y260-C264 PolarHBondContact O-N 2.95Å; D261-C264 CarbonylContact O-C 3.48Å; D261-C264 PolarHBondContact O-N 3.48Å; S262-C264 VanDerWaalsContact C-N 3.34Å; C264-G266 VanDerWaalsContact C-N 3.29Å; C264-G266 PolarHBondContact O-N 2.74Å; C264-G268 CarbonylContact O-C 3.56Å; C264-G268 VanDerWaalsContact O-CA 3.26Å; C264-G268 WeakPolarHBondContact O-CA 3.24Å; C264-G268 PolarHBondContact O-N 3.01Å; C264-G268 VanDerWaalsContact O-N 3.15Å
265G58.6Low69.9Low63 Ų6363 Ų6365%0.64942%0.415SS*.THydrogen-bonded Turntrans65.324.2171.400000115.3D261 L267D261-G265 PolarHBondContact O-N 3.11Å; G265-L267 PolarHBondContact O-N 2.79Å
266G57.6Low70.8Confident53 Ų5365.8 Ų65.855%0.54642%0.421SS..THydrogen-bonded Turntrans72.9-59.5-179.900000114.3D261 C264 G269D261-G266 PolarHBondContact O-N 3.35Å; C264-G266 VanDerWaalsContact C-N 3.29Å; C264-G266 PolarHBondContact O-N 2.74Å; G266-G269 PolarHBondContact O-N 3.4Å
267L54.5Low71.6Confident161 Ų16170 Ų7084%0.84344%0.44SS*.THydrogen-bonded Turntrans-73.9-29.1-178.2-68.6165.8000113.2G265G265-L267 PolarHBondContact O-N 2.79Å
268G57.5Low72.2Confident56 Ų5670.6 Ų70.658%0.57744%0.442SS*.THydrogen-bonded Turntrans-85.3-0.717700000114.8C264C264-G268 CarbonylContact O-C 3.56Å; C264-G268 VanDerWaalsContact O-CA 3.26Å; C264-G268 WeakPolarHBondContact O-CA 3.24Å; C264-G268 PolarHBondContact O-N 3.01Å; C264-G268 VanDerWaalsContact O-N 3.15Å
269G62.8Low72.8Confident2 Ų272 Ų722%0.02144%0.44CS..SBendtrans-64.2132-17800000113.2D261 G266 K271 R279D261-G269 VanDerWaalsContact OD1-CA 3.23Å; D261-G269 WeakPolarHBondContact OD1-CA 3.35Å; G266-G269 PolarHBondContact O-N 3.4Å; G269-K271 PolarHBondContact O-N 3.27Å; G269-K271 VanDerWaalsContact O-N 3.13Å; G269-R279 PolarHBondContact O-NH2 3.15Å
270A63.7Low73.5Confident37 Ų3775.6 Ų75.631%0.30645%0.451SS..  trans-51.9114.6-169.600000114Y260 S272 A275Y260-A270 HydrophobicContact CE1-CB 3.91Å; A270-S272 PolarHBondContact O-N 3.24Å; A270-S272 VanDerWaalsContact O-N 3.1Å; A270-A275 WeakPolarHBondContact O-CB 3.31Å
271K76.4Confident74.5Confident189 Ų18970.8 Ų70.882%0.82243%0.434SS*.  trans-77.410.1-173-60.6-179.6-179.7178.10115.4G269G269-K271 PolarHBondContact O-N 3.27Å; G269-K271 VanDerWaalsContact O-N 3.13Å
272S78.6Confident75.2Confident58 Ų5870.7 Ų70.741%0.40643%0.433SS..  trans-67.6149.6-177.567.90000113.2A270 G274 A275 N276A270-S272 PolarHBondContact O-N 3.24Å; A270-S272 VanDerWaalsContact O-N 3.1Å; S272-G274 VanDerWaalsContact C-N 3.28Å; S272-G274 PolarHBondContact O-N 3.32Å; S272-A275 WeakPolarHBondContact O-CA 3.38Å; S272-A275 WeakPolarHBondContact O-CB 3.21Å; S272-A275 PolarHBondContact O-N 2.75Å; S272-A275 WeakPolarHBondContact OG-CB 3.37Å; S272-A275 PolarHBondContact OG-N 3.04Å; S272-N276 PolarHBondContact O-N 2.85Å
273A83.7Confident75.9Confident84 Ų8467.8 Ų67.869%0.69442%0.415SS*.Hα-helixtrans-52.5-43.2175.400000113A275 N276 L277A273-A275 PolarHBondContact O-N 2.85Å; A273-N276 PolarHBondContact O-N 3.04Å; A273-N276 VanDerWaalsContact O-N 3.13Å; A273-L277 WeakPolarHBondContact O-CB 3.33Å; A273-L277 PolarHBondContact O-N 3.4Å
274G83.1Confident76.8Confident35 Ų3561.9 Ų61.936%0.36139%0.39SS..Hα-helixtrans-72.4-1175.600000115.7S272 R278S272-G274 VanDerWaalsContact C-N 3.28Å; S272-G274 PolarHBondContact O-N 3.32Å; G274-R278 PolarHBondContact O-NE 2.98Å; G274-R278 PolarHBondContact O-NH2 3.07Å
275A80.3Confident78.1Confident0 Ų060 Ų600%038%0.377CS..Hα-helixtrans-98.1-42.6162.700000110.4Q257 A270 S272 A273 L277 R278 R279Q257-A275 HydrophobicContact CG-CB 4.48Å; A270-A275 WeakPolarHBondContact O-CB 3.31Å; S272-A275 WeakPolarHBondContact O-CA 3.38Å; S272-A275 WeakPolarHBondContact O-CB 3.21Å; S272-A275 PolarHBondContact O-N 2.75Å; S272-A275 WeakPolarHBondContact OG-CB 3.37Å; S272-A275 PolarHBondContact OG-N 3.04Å; A273-A275 PolarHBondContact O-N 2.85Å; A275-L277 VanDerWaalsContact C-N 3.33Å; A275-L277 PolarHBondContact O-N 2.92Å; A275-R278 PolarHBondContact O-N 2.88Å; A275-R279 PolarHBondContact O-N 2.88Å
276N85.2Confident79.7Confident99 Ų9961.3 Ų61.353%0.52936%0.363SS..Hα-helixtrans-60.2-40.9176.8-152.531.5000112.3S272 A273 R278 R279 H280S272-N276 PolarHBondContact O-N 2.85Å; A273-N276 PolarHBondContact O-N 3.04Å; A273-N276 VanDerWaalsContact O-N 3.13Å; N276-R278 VanDerWaalsContact C-N 3.25Å; N276-R278 PolarHBondContact O-N 3.25Å; N276-R279 PolarHBondContact O-N 2.7Å; N276-H280 WeakPolarHBondContact O-CB 3.46Å; N276-H280 PolarHBondContact O-N 2.81Å
277L86.1Confident81.3Confident101 Ų10162.5 Ų62.553%0.52936%0.356SS..Hα-helixtrans-58-35.5173.1-178.364.2000112.8Y247 A273 A275 G281Y247-L277 HydrophobicContact CD1-CD2 4.06Å; Y247-L277 HydrophobicContact CD1-CG 4.29Å; Y247-L277 HydrophobicContact CE1-CD2 4.48Å; A273-L277 WeakPolarHBondContact O-CB 3.33Å; A273-L277 PolarHBondContact O-N 3.4Å; A275-L277 VanDerWaalsContact C-N 3.33Å; A275-L277 PolarHBondContact O-N 2.92Å; L277-G281 PolarHBondContact O-N 3.27Å
278R88Confident83.2Confident16 Ų1658.1 Ų58.16%0.0633%0.332CS..Hα-helixtrans-78.1-35.3177.4-74.9-180-69.1118.611.5112.3Y247 T248 Q257 G274 A275 N276 G281 E282Y247-R278 HydrophobicContact CD1-CG 3.7Å; Y247-R278 HydrophobicContact CE1-CG 3.63Å; T248-R278 WeakPolarHBondContact O-CB 3.1Å; T248-R278 VanDerWaalsContact O-CD 3.24Å; T248-R278 WeakPolarHBondContact O-CD 3.43Å; T248-R278 WeakPolarHBondContact O-CG 3.35Å; Q257-R278 HydrophobicContact CB-CB 3.89Å; Q257-R278 HydrophobicContact CG-CB 4.31Å; G274-R278 PolarHBondContact O-NE 2.98Å; G274-R278 PolarHBondContact O-NH2 3.07Å; A275-R278 PolarHBondContact O-N 2.88Å; N276-R278 VanDerWaalsContact C-N 3.25Å; N276-R278 PolarHBondContact O-N 3.25Å; R278-G281 PolarHBondContact O-N 3.41Å; R278-E282 WeakPolarHBondContact O-CB 3.48Å; R278-E282 WeakPolarHBondContact O-CG 3.36Å; R278-E282 PolarHBondContact O-N 3.03Å
279R85.5Confident84.9Confident78 Ų7855.5 Ų55.529%0.29430%0.304SS..Hα-helixtrans-61.6-45.7168.8-65.7178.2-175.8153.70.5111.2Q257 D261 G269 A275 N276 E282 A283Q257-R279 HydrophobicContact CG-CG 3.74Å; D261-R279 VanDerWaalsContact CG-NH2 3.25Å; D261-R279 IonicContact OD1-CZ 3.54Å; D261-R279 IonicContact OD1-NE 3.46Å; D261-R279 IonicContact OD1-NH2 3.25Å; D261-R279 PolarHBondContact OD1-NH2 3.41Å; D261-R279 IonicContact OD2-CZ 2.74Å; D261-R279 IonicContact OD2-NE 3.58Å; D261-R279 PolarHBondContact OD2-NE 3.23Å; D261-R279 IonicContact OD2-NH2 2.76Å; D261-R279 PolarHBondContact OD2-NH2 3.39Å; G269-R279 PolarHBondContact O-NH2 3.15Å; A275-R279 PolarHBondContact O-N 2.88Å; N276-R279 PolarHBondContact O-N 2.7Å; R279-E282 PolarHBondContact O-N 3.14Å; R279-A283 PolarHBondContact O-N 3.33Å
280H88.6Confident86.4Confident124 Ų12455.6 Ų55.657%0.57431%0.305SS*.Hα-helixtrans-60.2-50.6174.5-171.1-72.9000110.8N276 E282 A283 T284N276-H280 WeakPolarHBondContact O-CB 3.46Å; N276-H280 PolarHBondContact O-N 2.81Å; H280-E282 VanDerWaalsContact C-N 3.29Å; H280-E282 PolarHBondContact O-N 3.2Å; H280-A283 CarbonylContact O-C 3.39Å; H280-A283 WeakPolarHBondContact O-CA 3.39Å; H280-A283 WeakPolarHBondContact O-CB 3.47Å; H280-A283 PolarHBondContact O-N 2.91Å; H280-T284 PolarHBondContact CE1-OG1 2.69Å; H280-T284 VanDerWaalsContact CE1-OG1 3.23Å; H280-T284 PolarHBondContact ND1-OG1 3.36Å; H280-T284 VanDerWaalsContact ND1-OG1 3.08Å; H280-T284 PolarHBondContact O-N 3.48Å; H280-T284 PolarHBondContact O-OG1 3.22Å; H280-T284 VanDerWaalsContact O-OG1 3.04Å
281G90.8Very high87.8Confident6 Ų656.1 Ų56.16%0.06230%0.303CS..Hα-helixtrans-58-37175.300000113.8S246 L277 R278 A283 I285S246-G281 WeakPolarHBondContact CB-O 3.49Å; L277-G281 PolarHBondContact O-N 3.27Å; R278-G281 PolarHBondContact O-N 3.41Å; G281-A283 VanDerWaalsContact C-N 3.31Å; G281-I285 VanDerWaalsContact O-CG2 3.31Å; G281-I285 WeakPolarHBondContact O-CG2 3.31Å; G281-I285 PolarHBondContact O-N 2.94Å
282E88.4Confident88.6Confident19 Ų1947.7 Ų47.79%0.08927%0.266CS..Hα-helixtrans-71.1-23.7173.9-76.6-176-145.600112.8T248 Q257 S258 R278 R279 H280 R286T248-E282 HydrophobicContact CG2-CB 4.29Å; T248-E282 HydrophobicContact CG2-CG 3.56Å; Q257-E282 WeakPolarHBondContact CB-OE1 3.47Å; Q257-E282 PolarHBondContact N-OE1 3.38Å; S258-E282 WeakPolarHBondContact CB-OE2 3.42Å; S258-E282 PolarHBondContact N-OE1 3.09Å; S258-E282 PolarHBondContact N-OE2 3.25Å; S258-E282 PolarHBondContact OG-OE2 2.87Å; R278-E282 WeakPolarHBondContact O-CB 3.48Å; R278-E282 WeakPolarHBondContact O-CG 3.36Å; R278-E282 PolarHBondContact O-N 3.03Å; R279-E282 PolarHBondContact O-N 3.14Å; H280-E282 VanDerWaalsContact C-N 3.29Å; H280-E282 PolarHBondContact O-N 3.2Å; E282-R286 WeakPolarHBondContact O-CB 3.3Å; E282-R286 PolarHBondContact O-NH1 3.12Å; E282-R286 PolarHBondContact O-NH2 2.81Å
283A88.4Confident89.3Confident37 Ų3744.9 Ų44.931%0.30625%0.247SC..Hα-helixtrans-82.4-50.6172.900000112.1R279 H280 G281 I285 R286 N287R279-A283 PolarHBondContact O-N 3.33Å; H280-A283 CarbonylContact O-C 3.39Å; H280-A283 WeakPolarHBondContact O-CA 3.39Å; H280-A283 WeakPolarHBondContact O-CB 3.47Å; H280-A283 PolarHBondContact O-N 2.91Å; G281-A283 VanDerWaalsContact C-N 3.31Å; A283-I285 PolarHBondContact O-N 2.8Å; A283-R286 WeakPolarHBondContact O-CB 3.17Å; A283-R286 PolarHBondContact O-N 2.94Å; A283-R286 VanDerWaalsContact O-N 3.15Å; A283-N287 PolarHBondContact O-N 3.4Å; A283-N287 PolarHBondContact O-OD1 3.48Å
284T91.2Very high89.7Confident41 Ų4141 Ų4125%0.25222%0.215SC..Hα-helixtrans-51.3-55.6176.7-54.90000110.9H280 R286 N287 E288H280-T284 PolarHBondContact CE1-OG1 2.69Å; H280-T284 VanDerWaalsContact CE1-OG1 3.23Å; H280-T284 PolarHBondContact ND1-OG1 3.36Å; H280-T284 VanDerWaalsContact ND1-OG1 3.08Å; H280-T284 PolarHBondContact O-N 3.48Å; H280-T284 PolarHBondContact O-OG1 3.22Å; H280-T284 VanDerWaalsContact O-OG1 3.04Å; T284-R286 VanDerWaalsContact C-N 3.28Å; T284-R286 PolarHBondContact O-N 3.48Å; T284-N287 PolarHBondContact O-N 3.1Å; T284-N287 VanDerWaalsContact O-N 3.11Å; T284-E288 HydrophobicContact CG2-CG 4.28Å; T284-E288 WeakPolarHBondContact CG2-OE1 3.41Å; T284-E288 WeakPolarHBondContact O-CG 3.23Å; T284-E288 PolarHBondContact O-N 2.78Å
285I92.3Very high90Very high0 Ų043.5 Ų43.50%022%0.219CC..Hα-helixtrans-68.5-26.1-177.1-156.7158.5000113.4Y223 G226 L244 T248 G281 A283 I289 I318Y223-I285 HydrophobicContact CE2-CD1 3.94Å; Y223-I285 HydrophobicContact CE2-CG1 4.29Å; Y223-I285 HydrophobicContact CE2-CG2 4.34Å; G226-I285 VanDerWaalsContact O-CD1 3.29Å; G226-I285 WeakPolarHBondContact O-CD1 3.44Å; L244-I285 HydrophobicContact CB-CD1 4.43Å; L244-I285 HydrophobicContact CB-CG1 4.48Å; T248-I285 HydrophobicContact CG2-CG2 4.41Å; G281-I285 VanDerWaalsContact O-CG2 3.31Å; G281-I285 WeakPolarHBondContact O-CG2 3.31Å; G281-I285 PolarHBondContact O-N 2.94Å; A283-I285 PolarHBondContact O-N 2.8Å; I285-I289 HydrophobicContact CG1-CD1 3.9Å; I285-I289 HydrophobicContact CG1-CG1 4.31Å; I285-I289 VanDerWaalsContact O-CB 3.3Å; I285-I289 WeakPolarHBondContact O-CB 3.17Å; I285-I289 WeakPolarHBondContact O-CD1 3.49Å; I285-I289 WeakPolarHBondContact O-CG1 3.22Å; I285-I289 PolarHBondContact O-N 2.94Å; I285-I318 HydrophobicContact CG2-CD1 4.4Å
286R90.9Very high90.6Very high91 Ų9150.2 Ų50.234%0.34325%0.249SC..Hα-helixtrans-67.7-44.1172.7-174.8-173.4-61.296.35.9110.4E282 A283 T284 S290E282-R286 WeakPolarHBondContact O-CB 3.3Å; E282-R286 PolarHBondContact O-NH1 3.12Å; E282-R286 PolarHBondContact O-NH2 2.81Å; A283-R286 WeakPolarHBondContact O-CB 3.17Å; A283-R286 PolarHBondContact O-N 2.94Å; A283-R286 VanDerWaalsContact O-N 3.15Å; T284-R286 VanDerWaalsContact C-N 3.28Å; T284-R286 PolarHBondContact O-N 3.48Å; R286-S290 VanDerWaalsContact O-CB 3.24Å; R286-S290 WeakPolarHBondContact O-CB 3.48Å; R286-S290 PolarHBondContact O-N 2.59Å
287N92.1Very high91.1Very high78 Ų7846.1 Ų46.142%0.41723%0.226SC..Hα-helixtrans-70.6-43.2-179.9-66.27.3000111.2A283 T284 S290 D291A283-N287 PolarHBondContact O-N 3.4Å; A283-N287 PolarHBondContact O-OD1 3.48Å; T284-N287 PolarHBondContact O-N 3.1Å; T284-N287 VanDerWaalsContact O-N 3.11Å; N287-S290 PolarHBondContact O-N 2.98Å; N287-D291 WeakPolarHBondContact O-CB 3.17Å; N287-D291 PolarHBondContact O-N 2.8Å
288E93.9Very high91.3Very high70 Ų7045.6 Ų45.633%0.32722%0.217SC..Hα-helixtrans-61.2-43.7175.5-70.7175.8176.600112.5L244 T284 L292L244-E288 HydrophobicContact CD1-CB 3.84Å; L244-E288 HydrophobicContact CD2-CB 4.49Å; T284-E288 HydrophobicContact CG2-CG 4.28Å; T284-E288 WeakPolarHBondContact CG2-OE1 3.41Å; T284-E288 WeakPolarHBondContact O-CG 3.23Å; T284-E288 PolarHBondContact O-N 2.78Å; E288-L292 WeakPolarHBondContact O-CB 3.48Å; E288-L292 PolarHBondContact O-N 3.02Å
289I94.2Very high91.4Very high0 Ų047.7 Ų47.70%023%0.231CC..Hα-helixtrans-66.6-39.8175.5-70.7168.6000110.6Y223 F228 L244 I285 L292 L293 I318 F319Y223-I289 HydrophobicContact CD2-CD1 3.72Å; Y223-I289 HydrophobicContact CE2-CD1 4.04Å; Y223-I289 HydrophobicContact CG-CD1 4.48Å; F228-I289 HydrophobicContact CB-CD1 3.92Å; F228-I289 HydrophobicContact CB-CG1 4.23Å; F228-I289 HydrophobicContact CD2-CD1 3.89Å; F228-I289 HydrophobicContact CD2-CG1 3.99Å; F228-I289 HydrophobicContact CG-CD1 4.09Å; F228-I289 HydrophobicContact CG-CG1 4.04Å; L244-I289 HydrophobicContact CD1-CG1 3.81Å; I285-I289 HydrophobicContact CG1-CD1 3.9Å; I285-I289 HydrophobicContact CG1-CG1 4.31Å; I285-I289 VanDerWaalsContact O-CB 3.3Å; I285-I289 WeakPolarHBondContact O-CB 3.17Å; I285-I289 WeakPolarHBondContact O-CD1 3.49Å; I285-I289 WeakPolarHBondContact O-CG1 3.22Å; I285-I289 PolarHBondContact O-N 2.94Å; I289-L292 PolarHBondContact O-N 3.11Å; I289-L293 HydrophobicContact CG2-CD1 3.65Å; I289-L293 HydrophobicContact CG2-CG 4.21Å; I289-L293 WeakPolarHBondContact O-CB 3.3Å; I289-L293 VanDerWaalsContact O-CG 3.26Å; I289-L293 WeakPolarHBondContact O-CG 3.29Å; I289-L293 PolarHBondContact O-N 3.04Å; I289-I318 HydrophobicContact CD1-CD1 3.66Å; I289-I318 HydrophobicContact CD1-CG1 4.04Å; I289-F319 HydrophobicContact CG2-CD1 4.29Å
290S92.7Very high91.7Very high4 Ų445.6 Ų45.63%0.02823%0.226CC..Hα-helixtrans-64.7-48.5179.3-174.50000111.8R286 N287 L292 L293 H294 N321 P322 P323R286-S290 VanDerWaalsContact O-CB 3.24Å; R286-S290 WeakPolarHBondContact O-CB 3.48Å; R286-S290 PolarHBondContact O-N 2.59Å; N287-S290 PolarHBondContact O-N 2.98Å; S290-L292 PolarHBondContact O-N 3.36Å; S290-L293 PolarHBondContact O-N 2.67Å; S290-H294 WeakPolarHBondContact O-CB 3.46Å; S290-H294 PolarHBondContact O-CD2 3.46Å; S290-H294 VanDerWaalsContact O-CD2 3.25Å; S290-H294 PolarHBondContact O-N 3.45Å; S290-N321 WeakPolarHBondContact CB-O 3.45Å; S290-N321 PolarHBondContact OG-O 3.42Å; S290-P322 PolarHBondContact OG-O 3.2Å; S290-P323 WeakPolarHBondContact OG-CA 3.44Å
291D93Very high91.9Very high49 Ų4939.7 Ų39.726%0.26220%0.198SC..Hα-helixtrans-60.7-42.7173.3170.264.5000112.1N287 L293 N295 K296N287-D291 WeakPolarHBondContact O-CB 3.17Å; N287-D291 PolarHBondContact O-N 2.8Å; D291-L293 PolarHBondContact O-N 2.8Å; D291-N295 WeakPolarHBondContact O-CA 3.36Å; D291-N295 VanDerWaalsContact O-CB 3.28Å; D291-N295 WeakPolarHBondContact O-CB 2.95Å; D291-N295 PolarHBondContact O-N 2.87Å; D291-N295 PolarHBondContact OD1-ND2 3.13Å; D291-K296 PolarHBondContact O-N 2.81Å; D291-K296 WeakPolarHBondContact OD2-CD 3.43Å; D291-K296 WeakPolarHBondContact OD2-CE 3.18Å; D291-K296 IonicContact OD2-NZ 3.47Å; D291-K296 PolarHBondContact OD2-NZ 3.37Å
292L94.4Very high91.9Very high11 Ų1140.3 Ų40.36%0.05820%0.199CC..Iπ-helixtrans-59.3-48.6176.5-176.169.1000111.7F228 K242 L244 E288 I289 S290 K296 W297F228-L292 HydrophobicContact CD1-CD2 4.33Å; F228-L292 HydrophobicContact CE1-CD2 3.42Å; F228-L292 VanDerWaalsContact CE1-CD2 3.42Å; F228-L292 HydrophobicContact CZ-CD2 3.77Å; K242-L292 HydrophobicContact CB-CD1 4.2Å; K242-L292 HydrophobicContact CB-CD2 3.86Å; K242-L292 HydrophobicContact CG-CD1 4.14Å; K242-L292 HydrophobicContact CG-CD2 3.97Å; L244-L292 HydrophobicContact CD1-CD2 4.31Å; E288-L292 WeakPolarHBondContact O-CB 3.48Å; E288-L292 PolarHBondContact O-N 3.02Å; I289-L292 PolarHBondContact O-N 3.11Å; S290-L292 PolarHBondContact O-N 3.36Å; L292-K296 HydrophobicContact CD1-CB 4.47Å; L292-W297 HydrophobicContact CD1-CD2 3.95Å; L292-W297 HydrophobicContact CD1-CG 4.16Å; L292-W297 HydrophobicContact CD1-CZ2 4.13Å; L292-W297 HydrophobicContact CD2-CD2 4.43Å; L292-W297 HydrophobicContact CD2-CE3 4.31Å; L292-W297 HydrophobicContact CD2-CH2 4.22Å; L292-W297 HydrophobicContact CD2-CZ2 4.33Å; L292-W297 HydrophobicContact CD2-CZ3 4.21Å; L292-W297 HydrophobicContact CG-CD2 3.96Å; L292-W297 HydrophobicContact CG-CE3 4.2Å; L292-W297 HydrophobicContact CG-CG 4.33Å; L292-W297 VanDerWaalsContact O-CB 3.25Å; L292-W297 WeakPolarHBondContact O-CB 3.49Å; L292-W297 PolarHBondContact O-N 2.81Å
293L93.5Very high91.9Very high0 Ų039.8 Ų39.80%020%0.198CC..Iπ-helixtrans-80.3-40.6-174.5-63.2175.8000113.2L221 I289 S290 D291 W297 R298 L301 F319 M375L221-L293 HydrophobicContact CD1-CD2 3.84Å; L221-L293 HydrophobicContact CD2-CD2 4.02Å; I289-L293 HydrophobicContact CG2-CD1 3.65Å; I289-L293 HydrophobicContact CG2-CG 4.21Å; I289-L293 WeakPolarHBondContact O-CB 3.3Å; I289-L293 VanDerWaalsContact O-CG 3.26Å; I289-L293 WeakPolarHBondContact O-CG 3.29Å; I289-L293 PolarHBondContact O-N 3.04Å; S290-L293 PolarHBondContact O-N 2.67Å; D291-L293 PolarHBondContact O-N 2.8Å; L293-W297 HydrophobicContact CD2-CE3 4.29Å; L293-R298 PolarHBondContact O-N 3.09Å; L293-L301 HydrophobicContact CB-CD1 4.14Å; L293-L301 HydrophobicContact CD2-CD1 3.69Å; L293-L301 WeakPolarHBondContact O-CD1 3.5Å; L293-F319 HydrophobicContact CD1-CB 4.11Å; L293-F319 HydrophobicContact CD1-CD1 4.12Å; L293-M375 HydrophobicContact CD1-CE 4.19Å
294H90.8Very high92.1Very high3 Ų338 Ų381%0.01418%0.184CC..Iπ-helixtrans-97.3-19.8-170.9-58-69.6000114.1S290 R298 N321 P323 L373 M375S290-H294 WeakPolarHBondContact O-CB 3.46Å; S290-H294 PolarHBondContact O-CD2 3.46Å; S290-H294 VanDerWaalsContact O-CD2 3.25Å; S290-H294 PolarHBondContact O-N 3.45Å; H294-R298 WeakPolarHBondContact O-CB 3.41Å; H294-R298 WeakPolarHBondContact O-CD 3.4Å; H294-N321 PolarHBondContact CD2-O 3.17Å; H294-N321 PolarHBondContact NE2-O 3.18Å; H294-P323 HydrophobicContact CB-CG 4.22Å; H294-L373 HydrophobicContact CB-CD2 4.14Å; H294-L373 WeakPolarHBondContact ND1-CD2 3.31Å; H294-M375 PolarHBondContact CE1-O 2.81Å
295N90.5Very high92.1Very high86 Ų8638.7 Ų38.746%0.4618%0.184SC..Iπ-helixtrans-106.5-68.1172.6-54-28.4000110.5D291D291-N295 WeakPolarHBondContact O-CA 3.36Å; D291-N295 VanDerWaalsContact O-CB 3.28Å; D291-N295 WeakPolarHBondContact O-CB 2.95Å; D291-N295 PolarHBondContact O-N 2.87Å; D291-N295 PolarHBondContact OD1-ND2 3.13Å
296K92.9Very high92.1Very high142 Ų14239.1 Ų39.162%0.61719%0.186SC*.Iπ-helixtrans-71.5-44.3-165.8-73.2165.9175.9151.10114.4D291 L292D291-K296 PolarHBondContact O-N 2.81Å; D291-K296 WeakPolarHBondContact OD2-CD 3.43Å; D291-K296 WeakPolarHBondContact OD2-CE 3.18Å; D291-K296 IonicContact OD2-NZ 3.47Å; D291-K296 PolarHBondContact OD2-NZ 3.37Å; L292-K296 HydrophobicContact CD1-CB 4.47Å
297W94.2Very high92.3Very high12 Ų1234.8 Ų34.85%0.04517%0.17CC..THydrogen-bonded Turntrans-97.44.8179.9-69.4-1.7000113.4L221 F228 I232 V240 K242 L292 L293 V299 L300 L301L221-W297 HydrophobicContact CD2-CE3 4.46Å; L221-W297 HydrophobicContact CD2-CZ3 3.93Å; F228-W297 HydrophobicContact CZ-CZ3 4.43Å; I232-W297 HydrophobicContact CD1-CB 4.19Å; I232-W297 HydrophobicContact CD1-CD2 3.97Å; I232-W297 HydrophobicContact CD1-CE3 3.87Å; I232-W297 HydrophobicContact CD1-CG 4.15Å; I232-W297 HydrophobicContact CG1-CE3 4.21Å; I232-W297 HydrophobicContact CG1-CZ3 4.36Å; V240-W297 HydrophobicContact CB-CZ2 4.42Å; V240-W297 HydrophobicContact CG1-CZ2 3.89Å; K242-W297 HydrophobicContact CB-CH2 3.87Å; K242-W297 HydrophobicContact CB-CZ2 3.58Å; L292-W297 HydrophobicContact CD1-CD2 3.95Å; L292-W297 HydrophobicContact CD1-CG 4.16Å; L292-W297 HydrophobicContact CD1-CZ2 4.13Å; L292-W297 HydrophobicContact CD2-CD2 4.43Å; L292-W297 HydrophobicContact CD2-CE3 4.31Å; L292-W297 HydrophobicContact CD2-CH2 4.22Å; L292-W297 HydrophobicContact CD2-CZ2 4.33Å; L292-W297 HydrophobicContact CD2-CZ3 4.21Å; L292-W297 HydrophobicContact CG-CD2 3.96Å; L292-W297 HydrophobicContact CG-CE3 4.2Å; L292-W297 HydrophobicContact CG-CG 4.33Å; L292-W297 VanDerWaalsContact O-CB 3.25Å; L292-W297 WeakPolarHBondContact O-CB 3.49Å; L292-W297 PolarHBondContact O-N 2.81Å; L293-W297 HydrophobicContact CD2-CE3 4.29Å; W297-V299 PolarHBondContact O-N 3.4Å; W297-L300 PolarHBondContact O-N 3.3Å; W297-L300 VanDerWaalsContact O-N 3.1Å; W297-L301 HydrophobicContact CB-CD1 3.92Å; W297-L301 HydrophobicContact CB-CG 4.09Å; W297-L301 WeakPolarHBondContact O-CB 3.36Å; W297-L301 WeakPolarHBondContact O-CG 3.17Å; W297-L301 PolarHBondContact O-N 2.99Å
298R91.2Very high92.4Very high90 Ų9031.1 Ų31.134%0.3415%0.15SC..Hα-helixtrans-49.7-54.7-173.5178.1175.966.9163.74.6113.1L293 H294 L300 L301 Q302 R372L293-R298 PolarHBondContact O-N 3.09Å; H294-R298 WeakPolarHBondContact O-CB 3.41Å; H294-R298 WeakPolarHBondContact O-CD 3.4Å; R298-L300 PolarHBondContact O-N 2.93Å; R298-L301 PolarHBondContact O-N 3.08Å; R298-Q302 WeakPolarHBondContact O-CB 3.39Å; R298-Q302 WeakPolarHBondContact O-CG 3.33Å; R298-Q302 PolarHBondContact O-N 2.94Å; R298-R372 WeakPolarHBondContact CD-O 3.3Å; R298-R372 PolarHBondContact NH1-O 3.04Å; R298-R372 VanDerWaalsContact NH1-O 3.11Å
299V90.2Very high92.4Very high61 Ų6127.9 Ų27.937%0.3714%0.135SC..Hα-helixtrans-65.7-39.7-177.8-176.70000111.1W297 Q302 S303W297-V299 PolarHBondContact O-N 3.4Å; V299-Q302 PolarHBondContact O-N 2.99Å; V299-S303 PolarHBondContact O-N 3.37Å
300L92.3Very high92.3Very high34 Ų3429.7 Ų29.718%0.17814%0.142CC..Hα-helixtrans-63.8-49177.5-59.7177.3000111I232 V240 W297 R298 Q302 S303 C304 L359I232-L300 HydrophobicContact CD1-CB 3.56Å; I232-L300 HydrophobicContact CD1-CD1 4.2Å; V240-L300 HydrophobicContact CB-CD1 4.38Å; V240-L300 HydrophobicContact CG2-CD1 3.65Å; W297-L300 PolarHBondContact O-N 3.3Å; W297-L300 VanDerWaalsContact O-N 3.1Å; R298-L300 PolarHBondContact O-N 2.93Å; L300-Q302 VanDerWaalsContact C-N 3.32Å; L300-Q302 PolarHBondContact O-N 3.28Å; L300-S303 PolarHBondContact O-N 3.18Å; L300-S303 PolarHBondContact O-OG 3.36Å; L300-C304 PolarHBondContact O-N 2.93Å; L300-C304 VanDerWaalsContact O-N 3.15Å; L300-C304 PolarHBondContact O-SG 3.2Å; L300-L359 HydrophobicContact CD2-CD1 4.5Å
301L92.5Very high92.1Very high0 Ų029.8 Ų29.80%014%0.143CC..Hα-helixtrans-63.7-35.1176.6-69.8168.7000112.3A219 I232 L293 W297 R298 S303 C304 I307 G374 R381A219-L301 HydrophobicContact CB-CD2 3.71Å; I232-L301 HydrophobicContact CD1-CD2 4Å; I232-L301 HydrophobicContact CD1-CG 4.12Å; L293-L301 HydrophobicContact CB-CD1 4.14Å; L293-L301 HydrophobicContact CD2-CD1 3.69Å; L293-L301 WeakPolarHBondContact O-CD1 3.5Å; W297-L301 HydrophobicContact CB-CD1 3.92Å; W297-L301 HydrophobicContact CB-CG 4.09Å; W297-L301 WeakPolarHBondContact O-CB 3.36Å; W297-L301 WeakPolarHBondContact O-CG 3.17Å; W297-L301 PolarHBondContact O-N 2.99Å; R298-L301 PolarHBondContact O-N 3.08Å; L301-S303 VanDerWaalsContact C-N 3.29Å; L301-C304 PolarHBondContact O-N 3.4Å; L301-I307 HydrophobicContact CD2-CD1 4.37Å; L301-G374 WeakPolarHBondContact CB-O 3.45Å; L301-R381 PolarHBondContact O-NH1 2.83Å; L301-R381 PolarHBondContact O-NH2 3.27Å
302Q89.8Confident91.8Very high18 Ų1829.3 Ų29.38%0.08414%0.142CC..Hα-helixtrans-67.4-29172.9-74.5168.5-13.800112.2R298 V299 L300 P361 D362 L373 R381R298-Q302 WeakPolarHBondContact O-CB 3.39Å; R298-Q302 WeakPolarHBondContact O-CG 3.33Å; R298-Q302 PolarHBondContact O-N 2.94Å; V299-Q302 PolarHBondContact O-N 2.99Å; L300-Q302 VanDerWaalsContact C-N 3.32Å; L300-Q302 PolarHBondContact O-N 3.28Å; Q302-P361 HydrophobicContact CB-CB 4.16Å; Q302-P361 HydrophobicContact CB-CG 4.34Å; Q302-D362 PolarHBondContact O-N 3.28Å; Q302-L373 PolarHBondContact NE2-O 2.97Å; Q302-R381 PolarHBondContact O-NH1 2.85Å
303S89.1Confident91.3Very high9 Ų937 Ų376%0.06318%0.176CC..Hα-helixtrans-82.9-11.317478.90000115.4V299 L300 L301V299-S303 PolarHBondContact O-N 3.37Å; L300-S303 PolarHBondContact O-N 3.18Å; L300-S303 PolarHBondContact O-OG 3.36Å; L301-S303 VanDerWaalsContact C-N 3.29Å
304C92.3Very high90.7Very high0 Ų042 Ų420%021%0.205CC..  trans-75.7132.9177.9-68.50000111.7K217 L300 L301 I307 R381K217-C304 CarbonylContact O-C 3.51Å; K217-C304 WeakPolarHBondContact O-CA 3.2Å; K217-C304 WeakPolarHBondContact O-CB 3.29Å; L300-C304 PolarHBondContact O-N 2.93Å; L300-C304 VanDerWaalsContact O-N 3.15Å; L300-C304 PolarHBondContact O-SG 3.2Å; L301-C304 PolarHBondContact O-N 3.4Å; C304-I307 HydrophobicContact CB-CG1 4.19Å; C304-R381 WeakPolarHBondContact O-CD 3.23Å; C304-R381 PolarHBondContact O-NH1 2.89Å
305Q91.3Very high90.3Very high54 Ų5443.5 Ų43.525%0.25221%0.212SC..SBendtrans-78.2-32.5172.2-62.785.926.700112.5K217 D362 R381K217-Q305 PolarHBondContact O-N 2.86Å; K217-Q305 PolarHBondContact O-OE1 2.8Å; Q305-D362 WeakPolarHBondContact CA-OD2 3.38Å; Q305-R381 WeakPolarHBondContact O-CB 3.37Å; Q305-R381 WeakPolarHBondContact O-CG 3.46Å
306L92.7Very high90Very high10 Ų1044.3 Ų44.35%0.05221%0.209CC..EExtended strand (participates in β ladder)trans-126134.8179.2-54.4-170.3000111.1V191 V212 W218 A219 F308V191-L306 HydrophobicContact CG1-CD1 4.35Å; V212-L306 HydrophobicContact CG2-CD1 4.35Å; W218-L306 WeakPolarHBondContact CA-O 3.41Å; W218-L306 HydrophobicContact CD2-CD1 4.31Å; W218-L306 HydrophobicContact CG-CB 4.26Å; W218-L306 HydrophobicContact CZ2-CD1 3.84Å; A219-L306 PolarHBondContact N-O 3.45Å; L306-F308 HydrophobicContact CB-CD2 4.29Å; L306-F308 HydrophobicContact CB-CE2 3.65Å; L306-F308 HydrophobicContact CB-CZ 4.19Å; L306-F308 HydrophobicContact CD1-CE2 3.85Å; L306-F308 HydrophobicContact CD1-CZ 3.69Å; L306-F308 HydrophobicContact CG-CE2 4.44Å
307I94.3Very high89.7Confident0 Ų040.7 Ų40.70%020%0.201CC..EExtended strand (participates in β ladder)trans-123.9102.5174.6-54.8175.7000108.9A219 L221 L301 C304 M375 R381 L382 R383A219-I307 HydrophobicContact CB-CG1 4.27Å; A219-I307 HydrophobicContact CB-CG2 4.13Å; L221-I307 HydrophobicContact CD1-CG2 4.02Å; L301-I307 HydrophobicContact CD2-CD1 4.37Å; C304-I307 HydrophobicContact CB-CG1 4.19Å; I307-M375 HydrophobicContact CD1-CG 4.34Å; I307-M375 HydrophobicContact CD1-SD 4.07Å; I307-M375 HydrophobicContact CG2-SD 3.73Å; I307-R381 PolarHBondContact N-O 3.47Å; I307-L382 HydrophobicContact CB-CD2 3.87Å; I307-L382 HydrophobicContact CG2-CD2 3.76Å; I307-L382 CarbonylContact O-C 3.54Å; I307-L382 WeakPolarHBondContact O-CA 3.37Å; I307-R383 PolarHBondContact O-N 2.74Å
308F94.3Very high89.4Confident0 Ų040.7 Ų40.70%020%0.202CC..EExtended strand (participates in β ladder)trans-87.2132.1176.1-59.7-92.5000110.4V191 W218 A219 I220 L221 L306 R383 I385 L404V191-F308 HydrophobicContact CB-CE1 4.4Å; V191-F308 HydrophobicContact CB-CZ 4.34Å; V191-F308 HydrophobicContact CG1-CZ 4.26Å; V191-F308 HydrophobicContact CG2-CE1 3.82Å; V191-F308 HydrophobicContact CG2-CZ 3.9Å; W218-F308 AromaticContact CD2-CE2 3.87Å; W218-F308 HydrophobicContact CD2-CE2 3.87Å; W218-F308 HydrophobicContact CE3-CD2 4.4Å; W218-F308 AromaticContact CE3-CE2 3.57Å; W218-F308 HydrophobicContact CE3-CE2 3.57Å; W218-F308 HydrophobicContact CE3-CZ 4.23Å; W218-F308 HydrophobicContact CG-CE2 4.35Å; W218-F308 AromaticContact CZ3-CE2 3.96Å; W218-F308 HydrophobicContact CZ3-CE2 3.96Å; W218-F308 HydrophobicContact CZ3-CZ 4.16Å; A219-F308 PolarHBondContact O-N 3.34Å; I220-F308 CarbonylContact C-O 3.59Å; I220-F308 WeakPolarHBondContact CA-O 3.44Å; I220-F308 HydrophobicContact CG1-CB 4.23Å; I220-F308 HydrophobicContact CG1-CD2 4.4Å; L221-F308 PolarHBondContact N-O 2.88Å; L306-F308 HydrophobicContact CB-CD2 4.29Å; L306-F308 HydrophobicContact CB-CE2 3.65Å; L306-F308 HydrophobicContact CB-CZ 4.19Å; L306-F308 HydrophobicContact CD1-CE2 3.85Å; L306-F308 HydrophobicContact CD1-CZ 3.69Å; L306-F308 HydrophobicContact CG-CE2 4.44Å; F308-R383 CarbonylContact C-O 3.51Å; F308-R383 WeakPolarHBondContact CA-O 3.21Å; F308-R383 HydrophobicContact CD1-CB 3.48Å; F308-R383 VanDerWaalsContact CD1-CB 3.48Å; F308-R383 HydrophobicContact CD1-CG 4.39Å; F308-R383 HydrophobicContact CE1-CB 3.78Å; F308-R383 VanDerWaalsContact CE1-CD 3.48Å; F308-R383 HydrophobicContact CE1-CG 4.24Å; F308-R383 HydrophobicContact CG-CB 4.17Å; F308-I385 HydrophobicContact CB-CD1 3.83Å; F308-I385 HydrophobicContact CB-CG1 3.81Å; F308-I385 HydrophobicContact CD1-CG1 4.4Å; F308-L404 HydrophobicContact CD1-CD1 3.82Å; F308-L404 HydrophobicContact CE1-CD1 4.12Å; F308-L404 HydrophobicContact CG-CD1 4.07Å
309L93.5Very high89.3Confident3 Ų336.4 Ų36.42%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-131.8148.5176.368.487000113.3L221 F319 F320 L382 R383 R384 I385L221-L309 HydrophobicContact CB-CB 4.3Å; L221-L309 CarbonylContact O-C 3.57Å; L221-L309 VanDerWaalsContact O-CA 3.23Å; L221-L309 WeakPolarHBondContact O-CA 3.24Å; L309-F319 HydrophobicContact CB-CD2 4.4Å; L309-F319 HydrophobicContact CB-CE2 4.06Å; L309-F319 HydrophobicContact CD1-CD2 4.32Å; L309-F319 HydrophobicContact CD1-CE2 4.12Å; L309-F319 HydrophobicContact CD2-CD2 4.3Å; L309-F320 HydrophobicContact CD2-CZ 3.99Å; L309-L382 HydrophobicContact CD2-CD2 3.69Å; L309-R383 PolarHBondContact N-O 2.95Å; L309-R384 HydrophobicContact CD1-CG 4.02Å; L309-R384 VanDerWaalsContact CD1-NH1 3.34Å; L309-R384 WeakPolarHBondContact O-CA 2.91Å; L309-I385 PolarHBondContact O-N 2.89Å; L309-I385 VanDerWaalsContact O-N 3.12Å
310W92.7Very high89.2Confident37 Ų3734.9 Ų34.914%0.1417%0.174CC..EExtended strand (participates in β ladder)trans-130.2127.9168.3-173.475.9000111.4L221 L222 Y223 P312 I385 C387 S389 I392L221-W310 PolarHBondContact O-N 2.85Å; L222-W310 HydrophobicContact CD2-CB 3.64Å; Y223-W310 PolarHBondContact N-O 3.3Å; W310-P312 HydrophobicContact CH2-CG 4.42Å; W310-I385 HydrophobicContact CB-CB 4.49Å; W310-C387 HydrophobicContact CD2-CB 4.42Å; W310-C387 HydrophobicContact CG-CB 4.12Å; W310-C387 PolarHBondContact NE1-O 3.32Å; W310-S389 WeakPolarHBondContact CH2-O 3.37Å; W310-S389 WeakPolarHBondContact CZ3-O 3.3Å; W310-I392 HydrophobicContact CE3-CD1 4.21Å; W310-I392 HydrophobicContact CZ3-CD1 3.96Å; W310-I392 HydrophobicContact CZ3-CG1 4.23Å
311S89.5Confident88.8Confident7 Ų735.4 Ų35.45%0.04918%0.178CC..  trans-156.9145.1166.854.10000111.8Y223Y223-S311 WeakPolarHBondContact O-CA 3.33Å; Y223-S311 WeakPolarHBondContact O-CB 3.21Å
312P85.9Confident88.1Confident39 Ų3939.4 Ų39.425%0.25320%0.203SC..  trans-53.2150.3168.7-26.134.9000111.9Y223 W310 V314 H315Y223-P312 WeakPolarHBondContact O-CD 3.33Å; W310-P312 HydrophobicContact CH2-CG 4.42Å; P312-V314 HydrophobicContact CB-CG2 4.25Å; P312-V314 PolarHBondContact O-N 2.9Å; P312-H315 PolarHBondContact O-N 2.93Å
313K83.5Confident87.4Confident173 Ų17340.6 Ų40.675%0.75221%0.213SC*.G310 helixtrans-48.4-41.5-176.1-73.7-174.1178.8-179.30113.3H315 R316K313-H315 VanDerWaalsContact C-N 3.28Å; K313-H315 PolarHBondContact O-N 3.49Å; K313-R316 WeakPolarHBondContact O-CG 3.32Å
314V81.5Confident86.3Confident103 Ų10345.7 Ų45.762%0.62424%0.243SC*.G310 helixtrans-70.2-11.5-178.3-64.50000115.6P312P312-V314 HydrophobicContact CB-CG2 4.25Å; P312-V314 PolarHBondContact O-N 2.9Å
315H82.5Confident84.4Confident35 Ų3550.2 Ų50.216%0.16228%0.275CS..G310 helixtrans-119.912.5-177.1-60.2-37.3000113.1Y223 P312 K313 S317 I318Y223-H315 HydrophobicContact CD1-CB 3.68Å; Y223-H315 HydrophobicContact CE1-CB 3.68Å; Y223-H315 AromaticContact CE1-CD2 3.69Å; Y223-H315 AromaticContact CE1-CG 3.65Å; P312-H315 PolarHBondContact O-N 2.93Å; K313-H315 VanDerWaalsContact C-N 3.28Å; K313-H315 PolarHBondContact O-N 3.49Å; H315-S317 VanDerWaalsContact C-N 3.27Å; H315-S317 PolarHBondContact O-N 2.93Å; H315-I318 VanDerWaalsContact O-CG2 3.32Å; H315-I318 WeakPolarHBondContact O-CG2 3.25Å; H315-I318 PolarHBondContact O-N 3.01Å; H315-I318 VanDerWaalsContact O-N 3.17Å
316R84.3Confident81.9Confident104 Ų10452.8 Ų52.839%0.39230%0.299SS..G310 helixtrans-62.9-29-172.4-74.8178166.5-165-5.1114.7K313 I318 F320K313-R316 WeakPolarHBondContact O-CG 3.32Å; R316-I318 VanDerWaalsContact C-N 3.28Å; R316-I318 PolarHBondContact O-N 3.42Å; R316-F320 WeakPolarHBondContact O-CD2 3.22Å; R316-F320 VanDerWaalsContact O-CE2 3.31Å; R316-F320 WeakPolarHBondContact O-CE2 3.35Å
317S85.5Confident78.9Confident65 Ų6557.1 Ų57.146%0.45533%0.33SS..G310 helixtrans-72.7-15.1178.748.20000113.8H315 F319 F320 N321H315-S317 VanDerWaalsContact C-N 3.27Å; H315-S317 PolarHBondContact O-N 2.93Å; S317-F319 PolarHBondContact O-N 2.9Å; S317-F319 VanDerWaalsContact O-N 3.14Å; S317-F320 PolarHBondContact O-N 3.19Å; S317-N321 PolarHBondContact O-ND2 2.91Å
318I88.2Confident75.8Confident13 Ų1362.1 Ų62.17%0.06737%0.365CS..G310 helixtrans-59.5-34.3-170-157.5166.9000113.4Y223 I285 I289 H315 R316 F320 N321Y223-I318 HydrophobicContact CD1-CB 4.5Å; Y223-I318 HydrophobicContact CD1-CD1 3.92Å; Y223-I318 HydrophobicContact CD1-CG2 3.76Å; Y223-I318 HydrophobicContact CD2-CD1 3.96Å; Y223-I318 HydrophobicContact CE1-CD1 3.57Å; Y223-I318 HydrophobicContact CE1-CG2 4.41Å; Y223-I318 HydrophobicContact CE2-CD1 3.63Å; Y223-I318 HydrophobicContact CG-CD1 4.1Å; Y223-I318 HydrophobicContact CG-CG2 3.87Å; Y223-I318 VanDerWaalsContact CZ-CD1 3.41Å; I285-I318 HydrophobicContact CG2-CD1 4.4Å; I289-I318 HydrophobicContact CD1-CD1 3.66Å; I289-I318 HydrophobicContact CD1-CG1 4.04Å; H315-I318 VanDerWaalsContact O-CG2 3.32Å; H315-I318 WeakPolarHBondContact O-CG2 3.25Å; H315-I318 PolarHBondContact O-N 3.01Å; H315-I318 VanDerWaalsContact O-N 3.17Å; R316-I318 VanDerWaalsContact C-N 3.28Å; R316-I318 PolarHBondContact O-N 3.42Å; I318-F320 VanDerWaalsContact C-N 3.29Å; I318-F320 PolarHBondContact O-N 2.97Å; I318-N321 WeakPolarHBondContact CA-ND2 3.02Å; I318-N321 PolarHBondContact O-ND2 3.04Å
319F89.6Confident72.8Confident0 Ų067.6 Ų67.60%040%0.398CS..G310 helixtrans-81.60.6-178.9-51.6-58.3000114.7L221 F228 I289 L293 L309 S317 M375L221-F319 HydrophobicContact CB-CE1 4.17Å; L221-F319 HydrophobicContact CB-CZ 4.35Å; F228-F319 HydrophobicContact CD2-CE1 4.13Å; F228-F319 HydrophobicContact CE2-CE1 4Å; I289-F319 HydrophobicContact CG2-CD1 4.29Å; L293-F319 HydrophobicContact CD1-CB 4.11Å; L293-F319 HydrophobicContact CD1-CD1 4.12Å; L309-F319 HydrophobicContact CB-CD2 4.4Å; L309-F319 HydrophobicContact CB-CE2 4.06Å; L309-F319 HydrophobicContact CD1-CD2 4.32Å; L309-F319 HydrophobicContact CD1-CE2 4.12Å; L309-F319 HydrophobicContact CD2-CD2 4.3Å; S317-F319 PolarHBondContact O-N 2.9Å; S317-F319 VanDerWaalsContact O-N 3.14Å; F319-M375 HydrophobicContact CB-CE 3.63Å; F319-M375 VanDerWaalsContact O-CE 3.25Å; F319-M375 WeakPolarHBondContact O-CE 3.47Å
320F88.4Confident69.9Low28 Ų2872.9 Ų72.912%0.12343%0.432CS..G310 helixtrans-130.47.8-171.5-51.1-61.2000113.6L309 R316 S317 I318 M375 M377 L382L309-F320 HydrophobicContact CD2-CZ 3.99Å; R316-F320 WeakPolarHBondContact O-CD2 3.22Å; R316-F320 VanDerWaalsContact O-CE2 3.31Å; R316-F320 WeakPolarHBondContact O-CE2 3.35Å; S317-F320 PolarHBondContact O-N 3.19Å; I318-F320 VanDerWaalsContact C-N 3.29Å; I318-F320 PolarHBondContact O-N 2.97Å; F320-M375 HydrophobicContact CD1-CE 4.21Å; F320-M375 HydrophobicContact CE1-CE 3.84Å; F320-M375 HydrophobicContact CE1-CG 4.22Å; F320-M375 HydrophobicContact CE1-SD 4.41Å; F320-M377 HydrophobicContact CB-CE 4.37Å; F320-M377 HydrophobicContact CD1-CB 4.34Å; F320-M377 HydrophobicContact CD2-CB 4.28Å; F320-M377 HydrophobicContact CD2-CE 4.04Å; F320-M377 HydrophobicContact CD2-CG 3.97Å; F320-M377 HydrophobicContact CE2-CG 3.99Å; F320-M377 HydrophobicContact CG-CB 4.18Å; F320-M377 HydrophobicContact CG-CE 4.45Å; F320-M377 HydrophobicContact CG-CG 4.38Å; F320-M377 HydrophobicContact CZ-CG 4.41Å; F320-L382 HydrophobicContact CE1-CD1 3.63Å; F320-L382 HydrophobicContact CZ-CD1 3.85Å
321N82.8Confident67.1Low46 Ų4676 Ų7625%0.24646%0.46CS..PPolyproline II helixtrans-82121.2175.2-49-71.8000108.1S290 H294 S317 I318S290-N321 WeakPolarHBondContact CB-O 3.45Å; S290-N321 PolarHBondContact OG-O 3.42Å; H294-N321 PolarHBondContact CD2-O 3.17Å; H294-N321 PolarHBondContact NE2-O 3.18Å; S317-N321 PolarHBondContact O-ND2 2.91Å; I318-N321 WeakPolarHBondContact CA-ND2 3.02Å; I318-N321 PolarHBondContact O-ND2 3.04Å
322P79.3Confident64.4Low83 Ų8383.3 Ų83.354%0.53950%0.499SS..PPolyproline II helixtrans-60.5154.7174.228.7-35.5000110.3S290 V324 L373S290-P322 PolarHBondContact OG-O 3.2Å; P322-V324 PolarHBondContact O-N 3.03Å; P322-L373 HydrophobicContact CB-CD2 4.14Å
323P74.1Confident61.9Low43 Ų4389.5 Ų89.528%0.27952%0.524SS..PPolyproline II helixtrans-62139.3177.126.1-33000109.2S290 H294 S325S290-P323 WeakPolarHBondContact OG-CA 3.44Å; H294-P323 HydrophobicContact CB-CG 4.22Å; P323-S325 VanDerWaalsContact C-N 3.33Å; P323-S325 PolarHBondContact O-N 3.28Å
324V66.8Low59.5Low117 Ų11790.9 Ų90.971%0.70953%0.53SS*.  trans-68.894.5172.2-77.40000108.5P322 S326P322-V324 PolarHBondContact O-N 3.03Å; V324-S326 PolarHBondContact O-N 3.36Å
325S52.9Low57Low94 Ų9495.5 Ų95.566%0.65754%0.542SS*.  trans-58120.2176.243.70000109.6P323 S327P323-S325 VanDerWaalsContact C-N 3.33Å; P323-S325 PolarHBondContact O-N 3.28Å; S325-S327 PolarHBondContact O-N 3.44Å; S325-S327 VanDerWaalsContact O-N 3.15Å
326S36.8Very low54.7Low109 Ų109100.9 Ų100.976%0.76258%0.577SS**SBendtrans-55.9119.1166.646.70000108.7V324V324-S326 PolarHBondContact O-N 3.36Å
327S29.9Very low52.1Low100 Ų100100.6 Ų100.670%0.69959%0.592SS**  trans50.291.2178.355.70000115.9S325 V329S325-S327 PolarHBondContact O-N 3.44Å; S325-S327 VanDerWaalsContact O-N 3.15Å; S327-V329 PolarHBondContact O-N 2.88Å
328S30.8Very low49.7Very low106 Ų106103.8 Ų103.874%0.74160%0.603SS**  trans-70.680.8152.157.80000109.9
329V30.6Very low47.2Very low115 Ų115110.5 Ų110.570%0.69764%0.639SS**  trans-70130.1165.3-176.90000107.8S327 S331S327-V329 PolarHBondContact O-N 2.88Å; V329-S331 PolarHBondContact O-N 3.34Å
330P31.9Very low44.8Very low113 Ų113117.8 Ų117.873%0.73468%0.675SS**  trans-61.3124.9175.5-23.434.3000111.2N332P330-N332 VanDerWaalsContact C-N 3.33Å; P330-N332 PolarHBondContact O-N 2.86Å
331S33.6Very low42.1Very low102 Ų102123 Ų12371%0.71371%0.705SS**  trans-78.673.8-172.948.30000113V329 H333V329-S331 PolarHBondContact O-N 3.34Å; S331-H333 PolarHBondContact O-N 2.98Å
332N33.2Very low39.9Very low162 Ų162130.3 Ų130.387%0.86674%0.737SS**  trans-72.181.6162.6-87.3-13.6000109.8P330 K334P330-N332 VanDerWaalsContact C-N 3.33Å; P330-N332 PolarHBondContact O-N 2.86Å; N332-K334 PolarHBondContact O-N 3.11Å; N332-K334 VanDerWaalsContact O-N 3.1Å
333H33.8Very low37.7Very low169 Ų169131.2 Ų131.278%0.78275%0.745SS**  trans-64108.6167.8-89.3-84000110S331S331-H333 PolarHBondContact O-N 2.98Å
334K34.1Very low36Very low201 Ų201136.1 Ų136.187%0.87478%0.775SS**  trans-121.9128.7152.9-118.2-177.9178.1-175.90108.2N332N332-K334 PolarHBondContact O-N 3.11Å; N332-K334 VanDerWaalsContact O-N 3.1Å
335F27.4Very low34.4Very low200 Ų200137.6 Ų137.688%0.87778%0.779SS**  trans-66.7135.9177.6-82.7-112.4000110.7
336T34.4Very low33.6Very low148 Ų148144.1 Ų144.191%0.90879%0.79SS**  trans-156.2152.2130.313.30000106.9
337S29.3Very low33.4Very low99 Ų99143.6 Ų143.669%0.69279%0.787SS**  trans-100.9170.9-17753.70000111.7
338D35.2Very low33.7Very low132 Ų132143.7 Ų143.771%0.70679%0.788SS**  trans130.9130.8140.3-64.3-7.5000113.9
339N37Very low33.9Very low153 Ų153144.4 Ų144.482%0.81879%0.788SS**  trans63.5155.3162.8-62.9-34.8000119.1
340M37.9Very low33.9Very low153 Ų153146.6 Ų146.675%0.75480%0.795SS**  cis-172.7156.1-42.3-110.6-67.6-178.800105.2
341N33.3Very low33.9Very low139 Ų139145.7 Ų145.774%0.74379%0.792SS**  trans-0.7132.6170.6-58-16000120.1
342E35.3Very low33.9Very low198 Ų198146.4 Ų146.493%0.92580%0.797SS**  -152.9162108-134.5175.6163.100112.4
343S33.9Very low33.9Very low102 Ų102148.5 Ų148.571%0.71379%0.794SS**  trans-127139-166.7-49.70000111.5
344T38.6Very low33.9Very low147 Ų147151.8 Ų151.890%0.90280%0.8SS**  trans-146.2126.3160.741.50000111
345D32.5Very low34Very low147 Ų147149.6 Ų149.679%0.78680%0.796SS**  trans-81.1153.3179.9-70.8-72.3000113.8
346Y37Very low34.5Very low231 Ų231145 Ų14591%0.90679%0.789SS**  trans-144.7105.2150-149.9-90.3000111.2
347S32.4Very low34.8Very low98 Ų98142.8 Ų142.869%0.68578%0.779SS**  trans-94.5136.5-177.3-77.10000112.6
348S35.7Very low35.7Very low103 Ų103143.7 Ų143.772%0.7278%0.783SS**  trans-169.596.3151.2-85.80000115
349T33.8Very low36.8Very low121 Ų121140.5 Ų140.574%0.74277%0.765SS**  trans64.3144.4140.666.60000123.1
350N32Very low38.2Very low160 Ų160139.4 Ų139.486%0.85676%0.764SS**  trans62.4118.2160.1-61-24.3000117.9
351S32.3Very low39.5Very low95 Ų95134.8 Ų134.866%0.66475%0.745SS**  cis-151.5141.121.1179.70000112.1Y353S351-Y353 PolarHBondContact O-N 3.15Å; S351-Y353 VanDerWaalsContact O-N 3.15Å
352S32.6Very low41.4Very low117 Ų117129.8 Ų129.882%0.81872%0.718SS**  trans-87.676.8-165.9-56.70000114.9R354S352-R354 PolarHBondContact O-N 3.28Å
353Y34.3Very low43.3Very low206 Ų206125.5 Ų125.581%0.80871%0.711SS**  trans-78.897.1159-69.9-79.6000109.9S351 I355S351-Y353 PolarHBondContact O-N 3.15Å; S351-Y353 VanDerWaalsContact O-N 3.15Å; Y353-I355 PolarHBondContact O-N 2.77Å
354R32.4Very low45.3Very low237 Ų237124.5 Ų124.589%0.89470%0.697SS**  trans-64.9104.8169.3-71.9-171.4-177.8-171.82109S352 S356S352-R354 PolarHBondContact O-N 3.28Å; R354-S356 PolarHBondContact O-N 2.92Å; R354-S356 VanDerWaalsContact O-N 3.15Å
355I36.4Very low47.2Very low156 Ų156117.6 Ų117.680%0.865%0.654SS**  trans-73.7103.6170.3-61175.5000107.2Y353Y353-I355 PolarHBondContact O-N 2.77Å
356S38.6Very low49.3Very low103 Ų103113.4 Ų113.472%0.7264%0.637SS**  trans-56.1156.2170.5-580000111.3R354R354-S356 PolarHBondContact O-N 2.92Å; R354-S356 VanDerWaalsContact O-N 3.15Å
357S41.4Very low51.3Low102 Ų102108.5 Ų108.571%0.71362%0.62SS**SBendtrans-30.8138.3-168.6-52.30000116.2L359S357-L359 PolarHBondContact O-N 2.96Å
358P47.8Very low53.6Low117 Ų117103.9 Ų103.976%0.7659%0.588SS**  trans-53.7115.1-170.722-34000111.7V360P358-V360 PolarHBondContact O-N 3.06Å
359L58.2Low55.7Low66 Ų66100.6 Ų100.635%0.34657%0.565SS.*PPolyproline II helixtrans-62.5124.2-178.6-69.8164000109.9K217 L300 S357K217-L359 VanDerWaalsContact NZ-CD1 3.29Å; K217-L359 VanDerWaalsContact NZ-CD2 3.32Å; L300-L359 HydrophobicContact CD2-CD1 4.5Å; S357-L359 PolarHBondContact O-N 2.96Å
360V66Low58Low129 Ų129100 Ų10078%0.78256%0.557SS**PPolyproline II helixtrans-56.8128.3171.3-176.20000108.3P358P358-V360 PolarHBondContact O-N 3.06Å
361P65.3Low60.4Low56 Ų5696.4 Ų96.436%0.36454%0.543SS..PPolyproline II helixtrans-58.1149.4175.8-27.536.5000112.9Q302 A365 C369Q302-P361 HydrophobicContact CB-CB 4.16Å; Q302-P361 HydrophobicContact CB-CG 4.34Å; P361-A365 HydrophobicContact CB-CB 4.49Å; P361-C369 WeakPolarHBondContact CB-SG 3.42Å
362D72.3Confident62.7Low34 Ų34101.1 Ų101.118%0.18255%0.546CS..PPolyproline II helixtrans-62.7142.5166.9-179.812.8000109.9Q302 Q305 L364 A365Q302-D362 PolarHBondContact O-N 3.28Å; Q305-D362 WeakPolarHBondContact CA-OD2 3.38Å; D362-L364 PolarHBondContact O-N 2.83Å; D362-L364 PolarHBondContact OD1-N 2.85Å; D362-L364 WeakPolarHBondContact OD2-CB 3.41Å; D362-A365 HydrophobicContact CB-CB 4.34Å; D362-A365 WeakPolarHBondContact O-CA 3.37Å; D362-A365 WeakPolarHBondContact O-CB 3.41Å; D362-A365 PolarHBondContact O-N 3.27Å
363S75.2Confident65.2Low109 Ų10997.2 Ų97.276%0.76252%0.516SS*.G310 helixtrans-56.8-36.5175.3177.90000111.5A365 S366S363-A365 PolarHBondContact O-N 3.24Å; S363-A365 VanDerWaalsContact O-N 3.12Å; S363-S366 PolarHBondContact O-N 2.57Å
364L76.7Confident67.5Low81 Ų8187.4 Ų87.442%0.42448%0.478SS..G310 helixtrans-65.5-13.3174.4-58.3176.4000113.6D362 P380 R381D362-L364 PolarHBondContact O-N 2.83Å; D362-L364 PolarHBondContact OD1-N 2.85Å; D362-L364 WeakPolarHBondContact OD2-CB 3.41Å; L364-P380 HydrophobicContact CB-CG 4.22Å; L364-P380 HydrophobicContact CD2-CG 4.43Å; L364-P380 WeakPolarHBondContact O-CD 3.48Å; L364-P380 WeakPolarHBondContact O-CG 3.15Å; L364-R381 HydrophobicContact CB-CG 3.56Å; L364-R381 HydrophobicContact CD1-CG 4.22Å
365A78.1Confident70.2Confident1 Ų176.1 Ų76.11%0.00844%0.435CS..G310 helixtrans-88-4.3178.400000114.4P361 D362 S363 K367 A368 C369P361-A365 HydrophobicContact CB-CB 4.49Å; D362-A365 HydrophobicContact CB-CB 4.34Å; D362-A365 WeakPolarHBondContact O-CA 3.37Å; D362-A365 WeakPolarHBondContact O-CB 3.41Å; D362-A365 PolarHBondContact O-N 3.27Å; S363-A365 PolarHBondContact O-N 3.24Å; S363-A365 VanDerWaalsContact O-N 3.12Å; A365-K367 PolarHBondContact O-N 3.02Å; A365-A368 WeakPolarHBondContact O-CA 3.35Å; A365-A368 WeakPolarHBondContact O-CB 3.38Å; A365-A368 PolarHBondContact O-N 3.2Å; A365-C369 PolarHBondContact O-N 3.17Å; A365-C369 VanDerWaalsContact O-N 3.15Å; A365-C369 PolarHBondContact O-SG 2.69Å
366S76.8Confident72.6Confident60 Ų6069.8 Ų69.842%0.4240%0.404SS..Hα-helixtrans-42-60.4-170.5-1710000112.7S363 A368 C369 D370S363-S366 PolarHBondContact O-N 2.57Å; S366-A368 CarbonylContact O-C 3.57Å; S366-A368 PolarHBondContact O-N 3Å; S366-C369 CarbonylContact O-C 3.58Å; S366-C369 WeakPolarHBondContact O-CA 3.29Å; S366-C369 VanDerWaalsContact O-CB 3.29Å; S366-C369 WeakPolarHBondContact O-CB 3.3Å; S366-C369 PolarHBondContact O-N 3.46Å; S366-D370 PolarHBondContact O-N 3.26Å; S366-D370 PolarHBondContact OG-OD2 3.3Å
367K79.6Confident74.8Confident128 Ų12870.1 Ų70.156%0.55740%0.395SS*.Hα-helixtrans-54.7-26.9-177.5-64.7-177.4-179.7178.60114.9A365 D370 C371A365-K367 PolarHBondContact O-N 3.02Å; K367-D370 WeakPolarHBondContact CA-OD2 3.37Å; K367-D370 PolarHBondContact N-OD2 3.43Å; K367-C371 PolarHBondContact O-N 3.25Å; K367-C371 PolarHBondContact O-SG 3.21Å; K367-C371 VanDerWaalsContact O-SG 3.39Å
368A80.7Confident76.7Confident1 Ų169.8 Ų69.81%0.00839%0.386CS..Hα-helixtrans-79.5-42.917400000111A365 S366 C371 R372 L373 T376A365-A368 WeakPolarHBondContact O-CA 3.35Å; A365-A368 WeakPolarHBondContact O-CB 3.38Å; A365-A368 PolarHBondContact O-N 3.2Å; S366-A368 CarbonylContact O-C 3.57Å; S366-A368 PolarHBondContact O-N 3Å; A368-C371 CarbonylContact O-C 3.53Å; A368-C371 PolarHBondContact O-N 2.91Å; A368-R372 CarbonylContact O-C 3.54Å; A368-R372 PolarHBondContact O-N 2.85Å; A368-R372 VanDerWaalsContact O-N 3.08Å; A368-L373 CarbonylContact C-O 3.57Å; A368-L373 VanDerWaalsContact C-O 3.26Å; A368-L373 WeakPolarHBondContact CB-O 3.4Å; A368-L373 PolarHBondContact O-N 3.21Å; A368-T376 HydrophobicContact CB-CG2 4.32Å
369C79.7Confident78.6Confident34 Ų3464.6 Ų64.623%0.2335%0.351CS..Hα-helixtrans-61-45.5174.4-52.70000112.1P361 A365 S366 C371 R372P361-C369 WeakPolarHBondContact CB-SG 3.42Å; A365-C369 PolarHBondContact O-N 3.17Å; A365-C369 VanDerWaalsContact O-N 3.15Å; A365-C369 PolarHBondContact O-SG 2.69Å; S366-C369 CarbonylContact O-C 3.58Å; S366-C369 WeakPolarHBondContact O-CA 3.29Å; S366-C369 VanDerWaalsContact O-CB 3.29Å; S366-C369 WeakPolarHBondContact O-CB 3.3Å; S366-C369 PolarHBondContact O-N 3.46Å; C369-C371 PolarHBondContact O-N 3.25Å; C369-R372 VanDerWaalsContact O-CA 3.31Å; C369-R372 WeakPolarHBondContact O-CA 3.2Å; C369-R372 PolarHBondContact O-N 2.6Å
370D81.7Confident79.8Confident108 Ų10864.2 Ų64.258%0.57835%0.353SS*.Hα-helixtrans-58.3-48.3178.4-56.1-34.7000110.7S366 K367 R372S366-D370 PolarHBondContact O-N 3.26Å; S366-D370 PolarHBondContact OG-OD2 3.3Å; K367-D370 WeakPolarHBondContact CA-OD2 3.37Å; K367-D370 PolarHBondContact N-OD2 3.43Å; D370-R372 PolarHBondContact O-N 3.37Å
371C81.8Confident80.9Confident84 Ų8458.1 Ų58.157%0.56832%0.316SS*.THydrogen-bonded Turntrans-74.60.4173.3-66.80000113.9K367 A368 C369 L373K367-C371 PolarHBondContact O-N 3.25Å; K367-C371 PolarHBondContact O-SG 3.21Å; K367-C371 VanDerWaalsContact O-SG 3.39Å; A368-C371 CarbonylContact O-C 3.53Å; A368-C371 PolarHBondContact O-N 2.91Å; C369-C371 PolarHBondContact O-N 3.25Å; C371-L373 HydrophobicContact CB-CD1 4.05Å; C371-L373 HydrophobicContact CB-CG 4.13Å; C371-L373 PolarHBondContact O-N 2.83Å; C371-L373 VanDerWaalsContact O-N 3.14Å
372R81.8Confident82.1Confident195 Ų19556.6 Ų56.674%0.73630%0.304SS*.THydrogen-bonded Turntrans56.319.6-173.9-59.8-177.8174.9-170.2-1.9115.4R298 A368 C369 D370R298-R372 WeakPolarHBondContact CD-O 3.3Å; R298-R372 PolarHBondContact NH1-O 3.04Å; R298-R372 VanDerWaalsContact NH1-O 3.11Å; A368-R372 CarbonylContact O-C 3.54Å; A368-R372 PolarHBondContact O-N 2.85Å; A368-R372 VanDerWaalsContact O-N 3.08Å; C369-R372 VanDerWaalsContact O-CA 3.31Å; C369-R372 WeakPolarHBondContact O-CA 3.2Å; C369-R372 PolarHBondContact O-N 2.6Å; D370-R372 PolarHBondContact O-N 3.37Å
373L84.6Confident82.9Confident34 Ų3455.9 Ų55.918%0.17830%0.299CS..SBendtrans-96.1155178.6-65174.4000110.9H294 Q302 P322 A368 C371 M375 T376H294-L373 HydrophobicContact CB-CD2 4.14Å; H294-L373 WeakPolarHBondContact ND1-CD2 3.31Å; Q302-L373 PolarHBondContact NE2-O 2.97Å; P322-L373 HydrophobicContact CB-CD2 4.14Å; A368-L373 CarbonylContact C-O 3.57Å; A368-L373 VanDerWaalsContact C-O 3.26Å; A368-L373 WeakPolarHBondContact CB-O 3.4Å; A368-L373 PolarHBondContact O-N 3.21Å; C371-L373 HydrophobicContact CB-CD1 4.05Å; C371-L373 HydrophobicContact CB-CG 4.13Å; C371-L373 PolarHBondContact O-N 2.83Å; C371-L373 VanDerWaalsContact O-N 3.14Å; L373-M375 VanDerWaalsContact C-N 3.25Å; L373-M375 PolarHBondContact O-N 3.19Å; L373-T376 HydrophobicContact CD1-CG2 4.13Å
374G83.1Confident83.6Confident0 Ų055.1 Ų55.10%028%0.28CS..SBendtrans-67.7-23.3171.500000114.5L301L301-G374 WeakPolarHBondContact CB-O 3.45Å
375M88.4Confident84.1Confident1 Ų151.8 Ų51.81%0.00526%0.262CS..  trans-166.5152.7-171.8-165.2168.463.500111L221 L293 H294 I307 F319 F320 L373 L382L221-M375 HydrophobicContact CD1-CE 4Å; L221-M375 HydrophobicContact CD1-SD 4.24Å; L293-M375 HydrophobicContact CD1-CE 4.19Å; H294-M375 PolarHBondContact CE1-O 2.81Å; I307-M375 HydrophobicContact CD1-CG 4.34Å; I307-M375 HydrophobicContact CD1-SD 4.07Å; I307-M375 HydrophobicContact CG2-SD 3.73Å; F319-M375 HydrophobicContact CB-CE 3.63Å; F319-M375 VanDerWaalsContact O-CE 3.25Å; F319-M375 WeakPolarHBondContact O-CE 3.47Å; F320-M375 HydrophobicContact CD1-CE 4.21Å; F320-M375 HydrophobicContact CE1-CE 3.84Å; F320-M375 HydrophobicContact CE1-CG 4.22Å; F320-M375 HydrophobicContact CE1-SD 4.41Å; L373-M375 VanDerWaalsContact C-N 3.25Å; L373-M375 PolarHBondContact O-N 3.19Å; M375-L382 HydrophobicContact CE-CD2 4.49Å; M375-L382 HydrophobicContact CG-CD1 4.29Å; M375-L382 HydrophobicContact CG-CD2 3.85Å; M375-L382 HydrophobicContact CG-CG 4.44Å; M375-L382 HydrophobicContact SD-CD2 3.28Å; M375-L382 WeakPolarHBondContact SD-CD2 3.24Å; M375-L382 HydrophobicContact SD-CG 4.43Å
376T86.6Confident83.9Confident23 Ų2354.7 Ų54.714%0.14128%0.281CS..  trans-135.1164.3175.362.70000111.4A368 L373 D378 D379 L382A368-T376 HydrophobicContact CB-CG2 4.32Å; L373-T376 HydrophobicContact CD1-CG2 4.13Å; T376-D378 PolarHBondContact O-N 2.91Å; T376-D379 VanDerWaalsContact O-CB 3.28Å; T376-D379 WeakPolarHBondContact O-CB 3.42Å; T376-D379 PolarHBondContact O-N 3.02Å; T376-L382 WeakPolarHBondContact O-CD1 3.37Å
377M84.6Confident83.7Confident110 Ų11053 Ų5354%0.54227%0.269SS..THydrogen-bonded Turntrans-68.4-17.9-174.4-158.9179.8-52.700114.4K196 F320K196-M377 PolarHBondContact NZ-O 2.83Å; F320-M377 HydrophobicContact CB-CE 4.37Å; F320-M377 HydrophobicContact CD1-CB 4.34Å; F320-M377 HydrophobicContact CD2-CB 4.28Å; F320-M377 HydrophobicContact CD2-CE 4.04Å; F320-M377 HydrophobicContact CD2-CG 3.97Å; F320-M377 HydrophobicContact CE2-CG 3.99Å; F320-M377 HydrophobicContact CG-CB 4.18Å; F320-M377 HydrophobicContact CG-CE 4.45Å; F320-M377 HydrophobicContact CG-CG 4.38Å; F320-M377 HydrophobicContact CZ-CG 4.41Å
378D82.2Confident83.1Confident95 Ų9558 Ų5851%0.50828%0.284SS..THydrogen-bonded Turntrans-115.419.8-179.3-66.3-70.2000113K196 T376K196-D378 IonicContact NZ-OD1 3.36Å; K196-D378 PolarHBondContact NZ-OD1 2.96Å; T376-D378 PolarHBondContact O-N 2.91Å
379D86.2Confident82.5Confident7 Ų759.4 Ų59.44%0.03729%0.294CS..  trans-64.5121166.4-177.2-30.6000109.9T376 R381 L382T376-D379 VanDerWaalsContact O-CB 3.28Å; T376-D379 WeakPolarHBondContact O-CB 3.42Å; T376-D379 PolarHBondContact O-N 3.02Å; D379-R381 PolarHBondContact O-N 3.4Å; D379-R381 WeakPolarHBondContact OD1-CB 3.33Å; D379-R381 WeakPolarHBondContact OD1-CG 3.41Å; D379-R381 IonicContact OD1-CZ 3.96Å; D379-R381 PolarHBondContact OD1-N 2.83Å; D379-R381 IonicContact OD1-NE 3.76Å; D379-R381 PolarHBondContact OD1-NE 2.87Å; D379-R381 IonicContact OD1-NH2 2.71Å; D379-R381 IonicContact OD2-CZ 2.73Å; D379-R381 IonicContact OD2-NE 3.58Å; D379-R381 PolarHBondContact OD2-NE 3.41Å; D379-R381 IonicContact OD2-NH2 3.62Å; D379-R381 PolarHBondContact OD2-NH2 3.23Å; D379-L382 HydrophobicContact CB-CD1 3.8Å; D379-L382 HydrophobicContact CB-CG 3.95Å; D379-L382 WeakPolarHBondContact O-CB 3.41Å; D379-L382 PolarHBondContact O-N 3Å
380P84Confident81.9Confident58 Ų5866.5 Ų66.538%0.37732%0.321SS..THydrogen-bonded Turntrans-69.9-15.9-173.829.7-36.2000113.5T197 L364 L382T197-P380 HydrophobicContact CG2-CB 4.46Å; L364-P380 HydrophobicContact CB-CG 4.22Å; L364-P380 HydrophobicContact CD2-CG 4.43Å; L364-P380 WeakPolarHBondContact O-CD 3.48Å; L364-P380 WeakPolarHBondContact O-CG 3.15Å; P380-L382 PolarHBondContact O-N 3.36Å
381R89.2Confident81.8Confident2 Ų267.9 Ų67.91%0.00832%0.323CS..THydrogen-bonded Turntrans-75.7-9.1179.7-53.1173.8-65.9161.83.6112.6L301 Q302 C304 Q305 I307 L364 D379 R383L301-R381 PolarHBondContact O-NH1 2.83Å; L301-R381 PolarHBondContact O-NH2 3.27Å; Q302-R381 PolarHBondContact O-NH1 2.85Å; C304-R381 WeakPolarHBondContact O-CD 3.23Å; C304-R381 PolarHBondContact O-NH1 2.89Å; Q305-R381 WeakPolarHBondContact O-CB 3.37Å; Q305-R381 WeakPolarHBondContact O-CG 3.46Å; I307-R381 PolarHBondContact N-O 3.47Å; L364-R381 HydrophobicContact CB-CG 3.56Å; L364-R381 HydrophobicContact CD1-CG 4.22Å; D379-R381 PolarHBondContact O-N 3.4Å; D379-R381 WeakPolarHBondContact OD1-CB 3.33Å; D379-R381 WeakPolarHBondContact OD1-CG 3.41Å; D379-R381 IonicContact OD1-CZ 3.96Å; D379-R381 PolarHBondContact OD1-N 2.83Å; D379-R381 IonicContact OD1-NE 3.76Å; D379-R381 PolarHBondContact OD1-NE 2.87Å; D379-R381 IonicContact OD1-NH2 2.71Å; D379-R381 IonicContact OD2-CZ 2.73Å; D379-R381 IonicContact OD2-NE 3.58Å; D379-R381 PolarHBondContact OD2-NE 3.41Å; D379-R381 IonicContact OD2-NH2 3.62Å; D379-R381 PolarHBondContact OD2-NH2 3.23Å; R381-R383 PolarHBondContact O-N 3.45Å
382L90.6Very high82.1Confident23 Ų2364.4 Ų64.412%0.1230%0.299CS..EExtended strand (participates in β ladder)trans-78.9106.7-171.7-70.7174.8000114.5T194 I307 L309 F320 M375 T376 D379 P380T194-L382 WeakPolarHBondContact CG2-O 3.5Å; I307-L382 HydrophobicContact CB-CD2 3.87Å; I307-L382 HydrophobicContact CG2-CD2 3.76Å; I307-L382 CarbonylContact O-C 3.54Å; I307-L382 WeakPolarHBondContact O-CA 3.37Å; L309-L382 HydrophobicContact CD2-CD2 3.69Å; F320-L382 HydrophobicContact CE1-CD1 3.63Å; F320-L382 HydrophobicContact CZ-CD1 3.85Å; M375-L382 HydrophobicContact CE-CD2 4.49Å; M375-L382 HydrophobicContact CG-CD1 4.29Å; M375-L382 HydrophobicContact CG-CD2 3.85Å; M375-L382 HydrophobicContact CG-CG 4.44Å; M375-L382 HydrophobicContact SD-CD2 3.28Å; M375-L382 WeakPolarHBondContact SD-CD2 3.24Å; M375-L382 HydrophobicContact SD-CG 4.43Å; T376-L382 WeakPolarHBondContact O-CD1 3.37Å; D379-L382 HydrophobicContact CB-CD1 3.8Å; D379-L382 HydrophobicContact CB-CG 3.95Å; D379-L382 WeakPolarHBondContact O-CB 3.41Å; D379-L382 PolarHBondContact O-N 3Å; P380-L382 PolarHBondContact O-N 3.36Å
383R90.1Very high82.6Confident20 Ų2058.3 Ų58.38%0.07528%0.283CS..EExtended strand (participates in β ladder)trans-105.8135-177.8-65.8171.4178.2-69.52.3110.3C190 V191 L192 F193 T194 I307 F308 L309 R381C190-R383 VanDerWaalsContact O-CD 3.24Å; C190-R383 WeakPolarHBondContact O-CD 3.32Å; C190-R383 WeakPolarHBondContact O-CG 3.35Å; C190-R383 PolarHBondContact O-NH1 3.36Å; V191-R383 VanDerWaalsContact C-NH1 3.32Å; V191-R383 PolarHBondContact O-NE 3.04Å; V191-R383 PolarHBondContact O-NH1 3.13Å; V191-R383 PolarHBondContact O-NH2 2.86Å; V191-R383 VanDerWaalsContact O-NH2 3.13Å; L192-R383 PolarHBondContact O-NH1 2.84Å; L192-R383 PolarHBondContact O-NH2 3.28Å; F193-R383 VanDerWaalsContact N-NH1 3.16Å; T194-R383 HydrophobicContact CG2-CG 4.13Å; I307-R383 PolarHBondContact O-N 2.74Å; F308-R383 CarbonylContact C-O 3.51Å; F308-R383 WeakPolarHBondContact CA-O 3.21Å; F308-R383 HydrophobicContact CD1-CB 3.48Å; F308-R383 VanDerWaalsContact CD1-CB 3.48Å; F308-R383 HydrophobicContact CD1-CG 4.39Å; F308-R383 HydrophobicContact CE1-CB 3.78Å; F308-R383 VanDerWaalsContact CE1-CD 3.48Å; F308-R383 HydrophobicContact CE1-CG 4.24Å; F308-R383 HydrophobicContact CG-CB 4.17Å; L309-R383 PolarHBondContact N-O 2.95Å; R381-R383 PolarHBondContact O-N 3.45Å
384R88.8Confident83Confident93 Ų9358.2 Ų58.235%0.35128%0.281SS..EExtended strand (participates in β ladder)trans-98.7116178.1-76.1-172.5172.2-80.3-7.4110.9L309L309-R384 HydrophobicContact CD1-CG 4.02Å; L309-R384 VanDerWaalsContact CD1-NH1 3.34Å; L309-R384 WeakPolarHBondContact O-CA 2.91Å
385I87.5Confident83.5Confident11 Ų1163.6 Ų63.66%0.05631%0.309CS..  trans-70136176.8-50180000109.4I220 L222 F308 L309 W310 C387 L400 L404I220-I385 HydrophobicContact CG2-CD1 4.07Å; L222-I385 HydrophobicContact CD2-CD1 4.3Å; F308-I385 HydrophobicContact CB-CD1 3.83Å; F308-I385 HydrophobicContact CB-CG1 3.81Å; F308-I385 HydrophobicContact CD1-CG1 4.4Å; L309-I385 PolarHBondContact O-N 2.89Å; L309-I385 VanDerWaalsContact O-N 3.12Å; W310-I385 HydrophobicContact CB-CB 4.49Å; I385-C387 HydrophobicContact CG2-CB 3.99Å; I385-C387 PolarHBondContact O-N 3.48Å; I385-L400 HydrophobicContact CD1-CD1 3.98Å; I385-L400 HydrophobicContact CG2-CD1 4.41Å; I385-L400 HydrophobicContact CG2-CD2 3.95Å; I385-L404 HydrophobicContact CD1-CD1 4.03Å; I385-L404 HydrophobicContact CG1-CD1 4.16Å
386P74.6Confident83.6Confident62 Ų6264.8 Ų64.840%0.40332%0.315SS..  trans-77.928.5176.532.6-36.4000114.6Q173Q173-P386 HydrophobicContact CG-CB 4.38Å; Q173-P386 HydrophobicContact CG-CG 4.12Å
387C71.3Confident84Confident25 Ų2563.7 Ų63.717%0.16931%0.308CS..  trans-68158.3-176.6-173.60000113.2W310 I385 S389 H396W310-C387 HydrophobicContact CD2-CB 4.42Å; W310-C387 HydrophobicContact CG-CB 4.12Å; W310-C387 PolarHBondContact NE1-O 3.32Å; I385-C387 HydrophobicContact CG2-CB 3.99Å; I385-C387 PolarHBondContact O-N 3.48Å; C387-S389 PolarHBondContact SG-N 3.15Å; C387-H396 PolarHBondContact SG-NE2 2.99Å
388R66.5Low84.4Confident232 Ų23262.9 Ų62.988%0.87530%0.301SS*.  trans-131.25.6172.9-63-170.8-179.1-160.22.7114.6
389S70Confident84.8Confident30 Ų3062.9 Ų62.921%0.2130%0.298CS..  trans-62.1136.6-177.1-176.60000112.1W310 C387 H391 H396W310-S389 WeakPolarHBondContact CH2-O 3.37Å; W310-S389 WeakPolarHBondContact CZ3-O 3.3Å; C387-S389 PolarHBondContact SG-N 3.15Å; S389-H391 PolarHBondContact OG-N 3.1Å; S389-H391 PolarHBondContact OG-O 3.46Å; S389-H396 WeakPolarHBondContact CB-NE2 3.49Å
390K67.1Low85Confident184 Ų18462.9 Ų62.980%0.830%0.298SS*.SBendtrans-88.6-10.2168.1-63.4-178.9-174.9174.60112.2
391H79Confident85.5Confident136 Ų13660.7 Ų60.763%0.6328%0.283SS*.  trans-102.890.9-177.5-57.2123.8000109.1S389S389-H391 PolarHBondContact OG-N 3.1Å; S389-H391 PolarHBondContact OG-O 3.46Å
392I88Confident85.6Confident12 Ų1267.8 Ų67.86%0.06231%0.314CS..  trans-81.9117.9168.6-67.4176.4000108L222 K227 A229 W310L222-I392 HydrophobicContact CB-CD1 4.09Å; L222-I392 HydrophobicContact CB-CG1 4.16Å; L222-I392 HydrophobicContact CB-CG2 3.97Å; K227-I392 HydrophobicContact CB-CB 4.2Å; K227-I392 HydrophobicContact CB-CG2 4.45Å; A229-I392 HydrophobicContact CB-CG2 3.47Å; A229-I392 VanDerWaalsContact CB-CG2 3.47Å; W310-I392 HydrophobicContact CE3-CD1 4.21Å; W310-I392 HydrophobicContact CZ3-CD1 3.96Å; W310-I392 HydrophobicContact CZ3-CG1 4.23Å
393T92.1Very high85.5Confident66 Ų6671.3 Ų71.341%0.40533%0.33SS..  trans-143.3164.9175.463.40000108.2L395 H396 V397T393-L395 VanDerWaalsContact C-N 3.31Å; T393-H396 PolarHBondContact O-N 3.24Å; T393-H396 PolarHBondContact OG1-N 3.34Å; T393-V397 PolarHBondContact O-N 3.28Å
394Y93.9Very high85.5Confident32 Ų3270.4 Ų70.413%0.12533%0.327CS..Hα-helixtrans-69.3-29.3174.6-173.8-121.1000112.9F233 E238 H241 H396 V397 K398F233-Y394 WeakPolarHBondContact CE1-OH 3.45Å; F233-Y394 HydrophobicContact CZ-CE2 4.28Å; F233-Y394 WeakPolarHBondContact CZ-OH 3.22Å; E238-Y394 VanDerWaalsContact CG-OH 3.31Å; E238-Y394 WeakPolarHBondContact CG-OH 3.41Å; E238-Y394 PolarHBondContact OE1-OH 2.87Å; E238-Y394 PolarHBondContact OE2-OH 3.42Å; H241-Y394 HydrophobicContact CB-CD1 4.22Å; H241-Y394 HydrophobicContact CB-CD2 3.68Å; H241-Y394 HydrophobicContact CB-CE1 3.88Å; H241-Y394 HydrophobicContact CB-CE2 3.33Å; H241-Y394 HydrophobicContact CB-CG 4.16Å; H241-Y394 VanDerWaalsContact CB-CZ 3.47Å; H241-Y394 AromaticContact CG-CD1 3.93Å; H241-Y394 AromaticContact CG-CE1 3.83Å; H241-Y394 AromaticContact CG-CZ 3.97Å; H241-Y394 AromaticContact ND1-CE1 3.93Å; Y394-H396 VanDerWaalsContact C-N 3.26Å; Y394-H396 PolarHBondContact O-N 2.95Å; Y394-V397 HydrophobicContact CD2-CB 3.73Å; Y394-V397 HydrophobicContact CD2-CG1 4.16Å; Y394-V397 HydrophobicContact CD2-CG2 4Å; Y394-V397 HydrophobicContact CE2-CB 3.84Å; Y394-V397 HydrophobicContact CE2-CG1 3.82Å; Y394-V397 HydrophobicContact CE2-CG2 4.49Å; Y394-V397 WeakPolarHBondContact O-CA 3.21Å; Y394-V397 WeakPolarHBondContact O-CB 3.09Å; Y394-V397 PolarHBondContact O-N 3.35Å; Y394-K398 HydrophobicContact CE1-CD 3.9Å; Y394-K398 VanDerWaalsContact CE1-CE 3.48Å; Y394-K398 HydrophobicContact CE1-CG 4.06Å; Y394-K398 PolarHBondContact O-N 3Å; Y394-K398 VanDerWaalsContact O-N 3.08Å; Y394-K398 VanDerWaalsContact OH-CE 3.27Å; Y394-K398 WeakPolarHBondContact OH-CE 3.49Å
395L92.5Very high85.7Confident114 Ų11466.2 Ų66.260%0.59731%0.311SS*.Hα-helixtrans-55.8-43.3170.3-178.362.4000111.2T393 V397 K398 E399T393-L395 VanDerWaalsContact C-N 3.31Å; L395-V397 VanDerWaalsContact C-N 3.26Å; L395-V397 PolarHBondContact O-N 2.82Å; L395-K398 PolarHBondContact O-N 3.47Å; L395-E399 WeakPolarHBondContact O-CG 3.5Å; L395-E399 PolarHBondContact O-N 2.88Å
396H91.4Very high85.8Confident26 Ų2666.5 Ų66.512%0.1231%0.314CS..Hα-helixtrans-67.5-24.6177.6-16154.7000113.7L222 C387 S389 T393 Y394 E399 L400L222-H396 HydrophobicContact CD1-CB 4.47Å; C387-H396 PolarHBondContact SG-NE2 2.99Å; S389-H396 WeakPolarHBondContact CB-NE2 3.49Å; T393-H396 PolarHBondContact O-N 3.24Å; T393-H396 PolarHBondContact OG1-N 3.34Å; Y394-H396 VanDerWaalsContact C-N 3.26Å; Y394-H396 PolarHBondContact O-N 2.95Å; H396-E399 WeakPolarHBondContact CA-OE2 3.33Å; H396-E399 IonicContact CE1-OE2 3.63Å; H396-E399 IonicContact CG-OE2 3.71Å; H396-E399 IonicContact ND1-OE2 2.74Å; H396-E399 PolarHBondContact ND1-OE2 3.15Å; H396-L400 WeakPolarHBondContact O-CB 3.13Å; H396-L400 VanDerWaalsContact O-CG 3.31Å; H396-L400 WeakPolarHBondContact O-CG 3.44Å; H396-L400 PolarHBondContact O-N 2.97Å
397V93.7Very high86.6Confident0 Ų063.6 Ų63.60%030%0.295CS..Hα-helixtrans-69.1-43.4169.7-178.20000110.2I220 L222 A229 F233 T393 Y394 L395 H401I220-V397 HydrophobicContact CB-CG1 3.85Å; I220-V397 HydrophobicContact CG2-CG1 3.85Å; L222-V397 HydrophobicContact CD1-CG2 3.74Å; L222-V397 HydrophobicContact CG-CG2 4.18Å; A229-V397 HydrophobicContact CB-CG2 3.61Å; F233-V397 HydrophobicContact CE2-CG1 3.92Å; F233-V397 HydrophobicContact CZ-CG1 4.01Å; T393-V397 PolarHBondContact O-N 3.28Å; Y394-V397 HydrophobicContact CD2-CB 3.73Å; Y394-V397 HydrophobicContact CD2-CG1 4.16Å; Y394-V397 HydrophobicContact CD2-CG2 4Å; Y394-V397 HydrophobicContact CE2-CB 3.84Å; Y394-V397 HydrophobicContact CE2-CG1 3.82Å; Y394-V397 HydrophobicContact CE2-CG2 4.49Å; Y394-V397 WeakPolarHBondContact O-CA 3.21Å; Y394-V397 WeakPolarHBondContact O-CB 3.09Å; Y394-V397 PolarHBondContact O-N 3.35Å; L395-V397 VanDerWaalsContact C-N 3.26Å; L395-V397 PolarHBondContact O-N 2.82Å; V397-H401 WeakPolarHBondContact O-CB 3.49Å; V397-H401 PolarHBondContact O-N 3.4Å
398K93.3Very high87.3Confident92 Ų9263 Ų6340%0.429%0.29SS..Hα-helixtrans-67.3-38.6176-78.9-173.3164.4173.40113.2F233 E238 Y394 L395 H401 K402F233-K398 HydrophobicContact CE1-CG 4.34Å; F233-K398 HydrophobicContact CZ-CG 4.36Å; E238-K398 WeakPolarHBondContact OE2-CE 3.28Å; E238-K398 IonicContact OE2-NZ 2.7Å; E238-K398 PolarHBondContact OE2-NZ 3.32Å; Y394-K398 HydrophobicContact CE1-CD 3.9Å; Y394-K398 VanDerWaalsContact CE1-CE 3.48Å; Y394-K398 HydrophobicContact CE1-CG 4.06Å; Y394-K398 PolarHBondContact O-N 3Å; Y394-K398 VanDerWaalsContact O-N 3.08Å; Y394-K398 VanDerWaalsContact OH-CE 3.27Å; Y394-K398 WeakPolarHBondContact OH-CE 3.49Å; L395-K398 PolarHBondContact O-N 3.47Å; K398-H401 PolarHBondContact O-N 2.89Å; K398-K402 PolarHBondContact O-N 3.26Å
399E90.7Very high88.2Confident95 Ų9551.9 Ų51.944%0.44425%0.248SC..Hα-helixtrans-57.4-53172.7-72.4167.5176.400111L395 H396 H401 K402 E403L395-E399 WeakPolarHBondContact O-CG 3.5Å; L395-E399 PolarHBondContact O-N 2.88Å; H396-E399 WeakPolarHBondContact CA-OE2 3.33Å; H396-E399 IonicContact CE1-OE2 3.63Å; H396-E399 IonicContact CG-OE2 3.71Å; H396-E399 IonicContact ND1-OE2 2.74Å; H396-E399 PolarHBondContact ND1-OE2 3.15Å; E399-H401 VanDerWaalsContact C-N 3.31Å; E399-H401 PolarHBondContact O-N 3.38Å; E399-K402 PolarHBondContact O-N 2.88Å; E399-E403 PolarHBondContact O-N 2.91Å
400L91.4Very high88.6Confident7 Ų751.3 Ų51.34%0.03724%0.241CC..Hα-helixtrans-66-32.2178.5-70171.4000112.5I220 L222 I385 H396 L404I220-L400 HydrophobicContact CD1-CB 4.39Å; L222-L400 HydrophobicContact CD1-CD1 4.15Å; L222-L400 HydrophobicContact CD2-CD1 3.82Å; I385-L400 HydrophobicContact CD1-CD1 3.98Å; I385-L400 HydrophobicContact CG2-CD1 4.41Å; I385-L400 HydrophobicContact CG2-CD2 3.95Å; H396-L400 WeakPolarHBondContact O-CB 3.13Å; H396-L400 VanDerWaalsContact O-CG 3.31Å; H396-L400 WeakPolarHBondContact O-CG 3.44Å; H396-L400 PolarHBondContact O-N 2.97Å; L400-L404 VanDerWaalsContact O-CB 3.29Å; L400-L404 WeakPolarHBondContact O-CB 3.42Å; L400-L404 WeakPolarHBondContact O-CG 3.49Å; L400-L404 PolarHBondContact O-N 3.31Å
401H93.8Very high88.9Confident12 Ų1243.4 Ų43.46%0.05621%0.207CC..Hα-helixtrans-62.9-48.8171.9-169.6-106.5000111.2F22 I220 F233 G235 V397 K398 E399 E403 L404 S405F22-H401 AromaticContact CE2-CE1 3.96Å; I220-H401 VanDerWaalsContact CD1-CA 3.46Å; I220-H401 HydrophobicContact CD1-CB 3.71Å; F233-H401 AromaticContact CD1-ND1 3.91Å; F233-H401 HydrophobicContact CD2-CB 4.44Å; F233-H401 AromaticContact CD2-CD2 3.53Å; F233-H401 AromaticContact CD2-CG 3.86Å; F233-H401 AromaticContact CD2-NE2 3.96Å; F233-H401 HydrophobicContact CE1-CB 4.45Å; F233-H401 HydrophobicContact CE2-CB 4.09Å; F233-H401 AromaticContact CE2-CG 3.99Å; F233-H401 AromaticContact CG-CD2 3.7Å; F233-H401 AromaticContact CG-CE1 3.86Å; F233-H401 AromaticContact CG-CG 3.91Å; F233-H401 AromaticContact CG-NE2 3.69Å; F233-H401 HydrophobicContact CZ-CB 4.08Å; G235-H401 PolarHBondContact O-CE1 3.17Å; V397-H401 WeakPolarHBondContact O-CB 3.49Å; V397-H401 PolarHBondContact O-N 3.4Å; K398-H401 PolarHBondContact O-N 2.89Å; E399-H401 VanDerWaalsContact C-N 3.31Å; E399-H401 PolarHBondContact O-N 3.38Å; H401-E403 PolarHBondContact O-N 3.5Å; H401-L404 PolarHBondContact O-N 2.88Å; H401-S405 WeakPolarHBondContact O-CB 3.32Å; H401-S405 PolarHBondContact O-N 3.44Å; H401-S405 PolarHBondContact O-OG 3.12Å
402K90.9Very high88.8Confident152 Ų15238.8 Ų38.866%0.66119%0.19SC*.Hα-helixtrans-60.1-45.4177.4-170.2174.4-179.9177.90111.6K398 E399 S405 T406K398-K402 PolarHBondContact O-N 3.26Å; E399-K402 PolarHBondContact O-N 2.88Å; K402-S405 PolarHBondContact O-OG 2.7Å; K402-T406 PolarHBondContact O-N 3.41Å; K402-T406 PolarHBondContact O-OG1 2.73Å
403E87.9Confident87.9Confident96 Ų9644.1 Ų44.145%0.44922%0.218SC..Hα-helixtrans-64.1-43.8179.1-173.4-176.3173.900113.3E399 H401 T406E399-E403 PolarHBondContact O-N 2.91Å; H401-E403 PolarHBondContact O-N 3.5Å; E403-T406 PolarHBondContact O-OG1 2.74Å; E403-T406 VanDerWaalsContact O-OG1 3.13Å
404L91.4Very high86.8Confident2 Ų241.6 Ų41.61%0.0120%0.204CC..Hα-helixtrans-81.3-26.9-176.2-64.2171.7000113.2N188 V191 W218 F308 I385 L400 H401 T406N188-L404 HydrophobicContact CB-CD2 4.17Å; V191-L404 HydrophobicContact CG2-CB 4.04Å; V191-L404 HydrophobicContact CG2-CD2 3.77Å; V191-L404 HydrophobicContact CG2-CG 4.47Å; W218-L404 WeakPolarHBondContact CH2-O 3.44Å; W218-L404 HydrophobicContact CZ3-CB 4.13Å; W218-L404 WeakPolarHBondContact CZ3-O 3.43Å; F308-L404 HydrophobicContact CD1-CD1 3.82Å; F308-L404 HydrophobicContact CE1-CD1 4.12Å; F308-L404 HydrophobicContact CG-CD1 4.07Å; I385-L404 HydrophobicContact CD1-CD1 4.03Å; I385-L404 HydrophobicContact CG1-CD1 4.16Å; L400-L404 VanDerWaalsContact O-CB 3.29Å; L400-L404 WeakPolarHBondContact O-CB 3.42Å; L400-L404 WeakPolarHBondContact O-CG 3.49Å; L400-L404 PolarHBondContact O-N 3.31Å; H401-L404 PolarHBondContact O-N 2.88Å; L404-T406 VanDerWaalsContact C-N 3.27Å
405S92.2Very high85.6Confident4 Ų442.4 Ų42.43%0.02821%0.211CC..Hα-helixtrans-77.8-9.817663.10000113.6Q20 F21 F22 H401 K402Q20-S405 WeakPolarHBondContact CA-O 3.38Å; F21-S405 VanDerWaalsContact CD2-O 3.31Å; F21-S405 WeakPolarHBondContact CD2-O 3.35Å; F21-S405 PolarHBondContact N-O 3.46Å; F22-S405 VanDerWaalsContact CE2-CB 3.5Å; H401-S405 WeakPolarHBondContact O-CB 3.32Å; H401-S405 PolarHBondContact O-N 3.44Å; H401-S405 PolarHBondContact O-OG 3.12Å; K402-S405 PolarHBondContact O-OG 2.7Å
406T90.6Very high84.6Confident17 Ų1738.7 Ų38.710%0.10419%0.192CC..EExtended strand (participates in β ladder)trans-102.4151.7174.253.90000114.1Y19 Q20 K402 E403 L404Y19-T406 CarbonylContact O-C 3.59Å; Y19-T406 WeakPolarHBondContact O-CA 3.33Å; Y19-T406 WeakPolarHBondContact O-CB 3.08Å; Q20-T406 HydrophobicContact CG-CG2 3.99Å; K402-T406 PolarHBondContact O-N 3.41Å; K402-T406 PolarHBondContact O-OG1 2.73Å; E403-T406 PolarHBondContact O-OG1 2.74Å; E403-T406 VanDerWaalsContact O-OG1 3.13Å; L404-T406 VanDerWaalsContact C-N 3.27Å
407F90.2Very high83.5Confident1 Ų141.7 Ų41.70%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-115.2152.2160.459.8-87.9000110.8Y19 F21 A27 K30 L31 V185 I187 V409Y19-F407 HydrophobicContact CD2-CE2 4.04Å; Y19-F407 HydrophobicContact CD2-CZ 4.46Å; Y19-F407 HydrophobicContact CG-CE2 4.41Å; Y19-F407 HydrophobicContact CG-CZ 4.43Å; Y19-F407 PolarHBondContact N-O 2.82Å; Y19-F407 VanDerWaalsContact N-O 3.09Å; Y19-F407 WeakPolarHBondContact O-CD1 3.5Å; Y19-F407 PolarHBondContact O-N 3.44Å; F21-F407 AromaticContact CD1-CD1 3.78Å; F21-F407 HydrophobicContact CD1-CD1 3.78Å; F21-F407 HydrophobicContact CD1-CE1 4.21Å; F21-F407 HydrophobicContact CD2-CD1 4.39Å; F21-F407 HydrophobicContact CE1-CB 4.22Å; F21-F407 AromaticContact CE1-CD1 3.63Å; F21-F407 HydrophobicContact CE1-CD1 3.63Å; F21-F407 HydrophobicContact CE1-CE1 4.38Å; F21-F407 HydrophobicContact CE1-CG 4.24Å; F21-F407 HydrophobicContact CE2-CB 4.2Å; F21-F407 HydrophobicContact CE2-CD1 4.26Å; F21-F407 HydrophobicContact CG-CD1 4.15Å; F21-F407 HydrophobicContact CZ-CB 3.73Å; F21-F407 AromaticContact CZ-CD1 3.88Å; F21-F407 HydrophobicContact CZ-CD1 3.88Å; F21-F407 HydrophobicContact CZ-CG 4.22Å; A27-F407 HydrophobicContact CB-CE1 4.23Å; K30-F407 HydrophobicContact CB-CE2 3.68Å; K30-F407 HydrophobicContact CB-CZ 3.99Å; K30-F407 HydrophobicContact CG-CE2 4.42Å; L31-F407 HydrophobicContact CD1-CD1 4.32Å; L31-F407 HydrophobicContact CD1-CE1 3.99Å; L31-F407 HydrophobicContact CD1-CZ 4.28Å; L31-F407 HydrophobicContact CD2-CD1 4.37Å; L31-F407 HydrophobicContact CD2-CD2 3.93Å; L31-F407 HydrophobicContact CD2-CE1 4.27Å; L31-F407 HydrophobicContact CD2-CE2 3.82Å; L31-F407 HydrophobicContact CD2-CG 4.2Å; L31-F407 HydrophobicContact CD2-CZ 3.99Å; L31-F407 HydrophobicContact CG-CE1 4.25Å; L31-F407 HydrophobicContact CG-CE2 4.34Å; L31-F407 HydrophobicContact CG-CZ 4.03Å; V185-F407 HydrophobicContact CG1-CD2 3.93Å; I187-F407 HydrophobicContact CG1-CB 4.12Å; F407-V409 HydrophobicContact CD2-CG2 3.83Å; F407-V409 HydrophobicContact CE2-CG2 3.76Å
408D86.4Confident82.2Confident12 Ų1242.4 Ų42.46%0.06421%0.209CC..EExtended strand (participates in β ladder)trans-95137.4-179.1-66.4-14.9000109T15 R18 M174 V185 G186 Y410T15-D408 HydrophobicContact CG2-CB 3.68Å; T15-D408 WeakPolarHBondContact CG2-OD2 3.45Å; R18-D408 IonicContact CZ-OD1 3.41Å; R18-D408 VanDerWaalsContact CZ-OD1 3.29Å; R18-D408 IonicContact CZ-OD2 2.78Å; R18-D408 IonicContact NE-OD1 3.88Å; R18-D408 PolarHBondContact NE-OD1 2.92Å; R18-D408 IonicContact NH2-OD1 2.7Å; R18-D408 PolarHBondContact NH2-OD1 3.37Å; R18-D408 IonicContact NH2-OD2 3.84Å; R18-D408 PolarHBondContact NH2-OD2 3.04Å; M174-D408 HydrophobicContact CE-CB 4.24Å; M174-D408 WeakPolarHBondContact CE-OD2 3.44Å; V185-D408 CarbonylContact C-O 3.52Å; V185-D408 WeakPolarHBondContact CA-O 3.37Å; G186-D408 PolarHBondContact N-O 3.39Å; G186-D408 PolarHBondContact O-N 2.97Å; D408-Y410 HydrophobicContact CB-CE2 3.76Å
409V85.7Confident81.1Confident0 Ų038.9 Ų38.90%019%0.194CC..EExtended strand (participates in β ladder)trans-121141.1171-178.10000109C16 D17 Y19 K30 E183 I184 V185 F407C16-V409 WeakPolarHBondContact CA-O 3.11Å; C16-V409 VanDerWaalsContact CB-O 3.28Å; C16-V409 WeakPolarHBondContact CB-O 3.28Å; C16-V409 PolarHBondContact N-O 3.15Å; D17-V409 PolarHBondContact N-O 3.08Å; D17-V409 VanDerWaalsContact N-O 3.09Å; D17-V409 PolarHBondContact O-N 3.14Å; Y19-V409 HydrophobicContact CD2-CB 4.34Å; Y19-V409 HydrophobicContact CD2-CG2 3.69Å; Y19-V409 HydrophobicContact CE2-CB 4.16Å; Y19-V409 HydrophobicContact CE2-CG2 3.93Å; K30-V409 HydrophobicContact CB-CG2 4.5Å; E183-V409 HydrophobicContact CB-CG1 4.01Å; E183-V409 HydrophobicContact CG-CG1 4.43Å; I184-V409 CarbonylContact O-C 3.55Å; I184-V409 WeakPolarHBondContact O-CA 3.35Å; V185-V409 HydrophobicContact CG2-CG2 4.44Å; F407-V409 HydrophobicContact CD2-CG2 3.83Å; F407-V409 HydrophobicContact CE2-CG2 3.76Å
410Y78.6Confident80.1Confident18 Ų1836.6 Ų36.67%0.07119%0.189CC..EExtended strand (participates in β ladder)trans-131.3159.9-177-51.1-91.6000111.1T15 C16 F176 I184 D408 L419T15-Y410 HydrophobicContact CG2-CE1 3.8Å; C16-Y410 VanDerWaalsContact SG-CA 3.6Å; F176-Y410 HydrophobicContact CD1-CE2 4.31Å; F176-Y410 AromaticContact CE1-CE2 3.84Å; F176-Y410 HydrophobicContact CE1-CE2 3.84Å; I184-Y410 HydrophobicContact CG2-CD2 4.15Å; I184-Y410 PolarHBondContact N-O 2.93Å; I184-Y410 VanDerWaalsContact N-O 3.14Å; I184-Y410 WeakPolarHBondContact O-CD2 3.43Å; I184-Y410 PolarHBondContact O-N 3.28Å; D408-Y410 HydrophobicContact CB-CE2 3.76Å; Y410-L419 HydrophobicContact CD1-CD1 3.91Å; Y410-L419 HydrophobicContact CD1-CD2 3.83Å; Y410-L419 HydrophobicContact CD2-CD1 3.89Å; Y410-L419 HydrophobicContact CE1-CD1 4.1Å; Y410-L419 HydrophobicContact CE1-CD2 3.44Å; Y410-L419 VanDerWaalsContact CE1-CD2 3.44Å; Y410-L419 HydrophobicContact CE1-CG 4.42Å; Y410-L419 HydrophobicContact CE2-CD1 4.09Å; Y410-L419 HydrophobicContact CG-CD1 3.78Å
411D72.9Confident78.9Confident17 Ų1739.5 Ų39.59%0.09120%0.201CC..  trans-57.6154.1173.9-65.1-64.6000112.7C16 D413 A414 R445 I447C16-D411 PolarHBondContact SG-N 2.87Å; C16-D411 PolarHBondContact SG-OD2 2.84Å; D411-D413 PolarHBondContact O-N 3.14Å; D411-D413 VanDerWaalsContact O-N 3.13Å; D411-A414 WeakPolarHBondContact O-CB 3.49Å; D411-A414 PolarHBondContact O-N 3.32Å; D411-A414 VanDerWaalsContact O-N 3.13Å; D411-R445 WeakPolarHBondContact OD1-CD 3.32Å; D411-R445 IonicContact OD1-CZ 3.09Å; D411-R445 IonicContact OD1-NE 3.19Å; D411-R445 IonicContact OD1-NH1 2.85Å; D411-R445 PolarHBondContact OD1-NH1 2.86Å; D411-R445 WeakPolarHBondContact OD2-CB 3.46Å; D411-R445 VanDerWaalsContact OD2-CD 3.3Å; D411-R445 WeakPolarHBondContact OD2-CD 3.5Å; D411-I447 HydrophobicContact CB-CD1 4.31Å; D411-I447 HydrophobicContact CB-CG1 4.45Å
412P76.6Confident77.5Confident40 Ų4042 Ų4226%0.2622%0.22SC..THydrogen-bonded Turntrans-55.6-26.3173.4-26.635.8000114.9R178 S182R178-P412 PolarHBondContact NH2-O 3.13Å; S182-P412 VanDerWaalsContact O-CA 3.26Å; S182-P412 WeakPolarHBondContact O-CA 3.38Å; S182-P412 WeakPolarHBondContact O-CB 3.33Å
413D69.2Low76Confident123 Ų12336.7 Ų36.766%0.65821%0.208SC*.THydrogen-bonded Turntrans-984.1-176.3-48.8-53.6000113.2D411 N415D411-D413 PolarHBondContact O-N 3.14Å; D411-D413 VanDerWaalsContact O-N 3.13Å; D413-N415 PolarHBondContact O-N 3.28Å
414A68.5Low74.6Confident14 Ų1440.4 Ų40.412%0.11622%0.218CC..  trans-67.6124.1-177.100000111.6I184 D411 L416 L419I184-A414 HydrophobicContact CD1-CB 4.44Å; I184-A414 VanDerWaalsContact CD1-O 3.29Å; I184-A414 WeakPolarHBondContact CD1-O 3.39Å; D411-A414 WeakPolarHBondContact O-CB 3.49Å; D411-A414 PolarHBondContact O-N 3.32Å; D411-A414 VanDerWaalsContact O-N 3.13Å; A414-L416 PolarHBondContact O-N 2.94Å; A414-L419 HydrophobicContact CB-CD1 4.04Å
415N69.4Low73.2Confident48 Ų4844 Ų4426%0.25724%0.237SC..  trans-61103.7-175.2-175.6-42.8000112.1D413 E417 F418 L419 Y448D413-N415 PolarHBondContact O-N 3.28Å; N415-E417 VanDerWaalsContact C-N 3.34Å; N415-E417 PolarHBondContact O-N 3.38Å; N415-E417 WeakPolarHBondContact OD1-CB 3.16Å; N415-E417 PolarHBondContact OD1-N 3Å; N415-E417 VanDerWaalsContact OD1-N 3.1Å; N415-F418 HydrophobicContact CB-CB 4.07Å; N415-F418 WeakPolarHBondContact O-CB 3.46Å; N415-F418 PolarHBondContact O-N 3.09Å; N415-F418 PolarHBondContact OD1-N 2.82Å; N415-L419 WeakPolarHBondContact O-CG 3.43Å; N415-L419 PolarHBondContact O-N 2.78Å; N415-Y448 HydrophobicContact CB-CD1 4.4Å
416L71.3Confident71.7Confident37 Ų3744.7 Ų44.719%0.19424%0.24CC..Hα-helixtrans-64.9-34.2-176.4-174.868.3000113.3V37 F176 I184 A414 F418 L419 S420V37-L416 HydrophobicContact CB-CD2 3.77Å; V37-L416 HydrophobicContact CG1-CD2 3.43Å; V37-L416 VanDerWaalsContact CG1-CD2 3.43Å; F176-L416 HydrophobicContact CB-CD1 3.58Å; F176-L416 HydrophobicContact CD1-CD1 4.15Å; F176-L416 HydrophobicContact CD2-CD1 3.97Å; F176-L416 HydrophobicContact CG-CD1 3.63Å; I184-L416 HydrophobicContact CG2-CD1 4.34Å; A414-L416 PolarHBondContact O-N 2.94Å; L416-F418 VanDerWaalsContact C-N 3.31Å; L416-F418 PolarHBondContact O-N 3.36Å; L416-L419 PolarHBondContact O-N 2.86Å; L416-S420 VanDerWaalsContact O-CB 3.29Å; L416-S420 WeakPolarHBondContact O-CB 3.31Å; L416-S420 PolarHBondContact O-N 3.1Å
417E69.3Low70Confident88 Ų8846.8 Ų46.841%0.41125%0.246SC..Hα-helixtrans-62.3-42.8176.7-173.8-116.9139.300109.9N415 S420 K421 K429N415-E417 VanDerWaalsContact C-N 3.34Å; N415-E417 PolarHBondContact O-N 3.38Å; N415-E417 WeakPolarHBondContact OD1-CB 3.16Å; N415-E417 PolarHBondContact OD1-N 3Å; N415-E417 VanDerWaalsContact OD1-N 3.1Å; E417-S420 PolarHBondContact O-OG 2.83Å; E417-K421 WeakPolarHBondContact O-CG 3.28Å; E417-K421 WeakPolarHBondContact OE1-CE 3.44Å; E417-K421 IonicContact OE1-NZ 3.89Å; E417-K421 PolarHBondContact OE1-NZ 3.35Å; E417-K429 IonicContact OE1-NZ 3.54Å; E417-K429 IonicContact OE2-NZ 3.95Å; E417-K429 PolarHBondContact OE2-NZ 3.41Å
418F66.4Low68.5Low15 Ų1553.1 Ų53.17%0.06627%0.27CS..Hα-helixtrans-64.5-49.7171.6176-92.5000112.6N415 L416 S420 K421 Q426 L430N415-F418 HydrophobicContact CB-CB 4.07Å; N415-F418 WeakPolarHBondContact O-CB 3.46Å; N415-F418 PolarHBondContact O-N 3.09Å; N415-F418 PolarHBondContact OD1-N 2.82Å; L416-F418 VanDerWaalsContact C-N 3.31Å; L416-F418 PolarHBondContact O-N 3.36Å; F418-S420 PolarHBondContact O-N 2.95Å; F418-K421 WeakPolarHBondContact O-CB 3.38Å; F418-K421 PolarHBondContact O-N 3.5Å; F418-K421 VanDerWaalsContact O-N 3.09Å; F418-Q426 HydrophobicContact CD1-CG 4.3Å; F418-Q426 HydrophobicContact CD2-CB 4.38Å; F418-Q426 HydrophobicContact CD2-CG 4.23Å; F418-Q426 HydrophobicContact CE1-CB 4.28Å; F418-Q426 HydrophobicContact CE1-CG 3.95Å; F418-Q426 HydrophobicContact CE2-CB 3.62Å; F418-Q426 HydrophobicContact CE2-CG 3.87Å; F418-Q426 WeakPolarHBondContact CE2-O 3.29Å; F418-Q426 HydrophobicContact CG-CG 4.43Å; F418-Q426 HydrophobicContact CZ-CB 3.56Å; F418-Q426 HydrophobicContact CZ-CG 3.72Å; F418-Q426 WeakPolarHBondContact O-CG 3.39Å; F418-Q426 PolarHBondContact O-NE2 2.95Å; F418-L430 HydrophobicContact CE2-CD1 3.81Å; F418-L430 HydrophobicContact CE2-CG 3.82Å; F418-L430 HydrophobicContact CZ-CD1 3.65Å; F418-L430 HydrophobicContact CZ-CG 4.14Å
419L70.1Confident67.2Low18 Ų1854.7 Ų54.79%0.09428%0.276CS..Hα-helixtrans-58.7-34.8178.7-68.6-179.5000112.5F176 I184 Y410 A414 N415 L416 K421 Q426F176-L419 HydrophobicContact CE1-CB 3.96Å; F176-L419 HydrophobicContact CE1-CD1 4.33Å; F176-L419 HydrophobicContact CZ-CB 3.89Å; I184-L419 HydrophobicContact CG2-CD1 4.35Å; Y410-L419 HydrophobicContact CD1-CD1 3.91Å; Y410-L419 HydrophobicContact CD1-CD2 3.83Å; Y410-L419 HydrophobicContact CD2-CD1 3.89Å; Y410-L419 HydrophobicContact CE1-CD1 4.1Å; Y410-L419 HydrophobicContact CE1-CD2 3.44Å; Y410-L419 VanDerWaalsContact CE1-CD2 3.44Å; Y410-L419 HydrophobicContact CE1-CG 4.42Å; Y410-L419 HydrophobicContact CE2-CD1 4.09Å; Y410-L419 HydrophobicContact CG-CD1 3.78Å; A414-L419 HydrophobicContact CB-CD1 4.04Å; N415-L419 WeakPolarHBondContact O-CG 3.43Å; N415-L419 PolarHBondContact O-N 2.78Å; L416-L419 PolarHBondContact O-N 2.86Å; L419-K421 VanDerWaalsContact C-N 3.28Å; L419-K421 PolarHBondContact O-N 3.44Å; L419-Q426 PolarHBondContact O-NE2 3.09Å
420S69.9Low65.7Low48 Ų4855 Ų5534%0.33628%0.278SS..Hα-helixtrans-70.4-18.9178.881.40000114.7L416 E417 F418L416-S420 VanDerWaalsContact O-CB 3.29Å; L416-S420 WeakPolarHBondContact O-CB 3.31Å; L416-S420 PolarHBondContact O-N 3.1Å; E417-S420 PolarHBondContact O-OG 2.83Å; F418-S420 PolarHBondContact O-N 2.95Å
421K66.6Low64.4Low67 Ų6755.4 Ų55.429%0.29128%0.283SS..SBendtrans-76.8150.6179.3-73.2179-172.1-173.60111.2E417 F418 L419 N425 Q426E417-K421 WeakPolarHBondContact O-CG 3.28Å; E417-K421 WeakPolarHBondContact OE1-CE 3.44Å; E417-K421 IonicContact OE1-NZ 3.89Å; E417-K421 PolarHBondContact OE1-NZ 3.35Å; F418-K421 WeakPolarHBondContact O-CB 3.38Å; F418-K421 PolarHBondContact O-N 3.5Å; F418-K421 VanDerWaalsContact O-N 3.09Å; L419-K421 VanDerWaalsContact C-N 3.28Å; L419-K421 PolarHBondContact O-N 3.44Å; K421-N425 HydrophobicContact CB-CB 4.05Å; K421-Q426 HydrophobicContact CB-CG 4.2Å; K421-Q426 PolarHBondContact O-NE2 3.2Å
422S64.5Low63.6Low66 Ų6660.8 Ų60.846%0.46231%0.308SS..  trans-58.7149.7173.381.60000110.5R424 N425 Q426S422-R424 PolarHBondContact O-N 3.08Å; S422-N425 CarbonylContact O-C 3.59Å; S422-N425 WeakPolarHBondContact O-CA 3.36Å; S422-N425 PolarHBondContact O-N 2.94Å; S422-N425 PolarHBondContact OG-N 2.79Å; S422-N425 PolarHBondContact OG-OD1 2.95Å; S422-Q426 PolarHBondContact O-N 3.3Å
423G58.8Low62.6Low39 Ų3960 Ų6040%0.40230%0.303SS..Hα-helixtrans-55.9-22.6-177.600000115.3W427G423-W427 PolarHBondContact O-N 3.23Å
424R57.5Low61.5Low175 Ų17557.5 Ų57.566%0.6631%0.307SS*.Hα-helixtrans-80.1-36.6171.5-171.2173.3-172.1167.95112.8S422 W427 R428S422-R424 PolarHBondContact O-N 3.08Å; R424-W427 PolarHBondContact O-N 3.16Å; R424-R428 PolarHBondContact O-N 3.04Å
425N61.9Low60.4Low78 Ų7863.3 Ų63.342%0.41734%0.336SS..Hα-helixtrans-76.5-28176.5-68.624.9000111.7K421 S422 R428 K429K421-N425 HydrophobicContact CB-CB 4.05Å; S422-N425 CarbonylContact O-C 3.59Å; S422-N425 WeakPolarHBondContact O-CA 3.36Å; S422-N425 PolarHBondContact O-N 2.94Å; S422-N425 PolarHBondContact OG-N 2.79Å; S422-N425 PolarHBondContact OG-OD1 2.95Å; N425-R428 PolarHBondContact O-N 3.24Å; N425-K429 PolarHBondContact O-N 2.77Å
426Q61.5Low59.5Low18 Ų1864 Ų648%0.08434%0.338CS..Hα-helixtrans-57.5-55.4164.3-76.4177.10.500110.6R14 F418 L419 K421 S422 R428 K429 L430R14-Q426 VanDerWaalsContact NH1-OE1 3.11Å; F418-Q426 HydrophobicContact CD1-CG 4.3Å; F418-Q426 HydrophobicContact CD2-CB 4.38Å; F418-Q426 HydrophobicContact CD2-CG 4.23Å; F418-Q426 HydrophobicContact CE1-CB 4.28Å; F418-Q426 HydrophobicContact CE1-CG 3.95Å; F418-Q426 HydrophobicContact CE2-CB 3.62Å; F418-Q426 HydrophobicContact CE2-CG 3.87Å; F418-Q426 WeakPolarHBondContact CE2-O 3.29Å; F418-Q426 HydrophobicContact CG-CG 4.43Å; F418-Q426 HydrophobicContact CZ-CB 3.56Å; F418-Q426 HydrophobicContact CZ-CG 3.72Å; F418-Q426 WeakPolarHBondContact O-CG 3.39Å; F418-Q426 PolarHBondContact O-NE2 2.95Å; L419-Q426 PolarHBondContact O-NE2 3.09Å; K421-Q426 HydrophobicContact CB-CG 4.2Å; K421-Q426 PolarHBondContact O-NE2 3.2Å; S422-Q426 PolarHBondContact O-N 3.3Å; Q426-R428 PolarHBondContact O-N 3.3Å; Q426-K429 PolarHBondContact O-N 3.15Å; Q426-L430 WeakPolarHBondContact O-CB 3.13Å; Q426-L430 PolarHBondContact O-N 2.96Å
427W53.6Low58.3Low60 Ų6063.3 Ų63.323%0.22734%0.335CS..Hα-helixtrans-58-33.1176.3-75.1140000113.1G423 R424 L430 S431 A559G423-W427 PolarHBondContact O-N 3.23Å; R424-W427 PolarHBondContact O-N 3.16Å; W427-L430 HydrophobicContact CE3-CD1 3.84Å; W427-L430 HydrophobicContact CZ3-CD1 4.18Å; W427-S431 PolarHBondContact O-N 3.29Å; W427-A559 HydrophobicContact CD2-CB 4.17Å; W427-A559 HydrophobicContact CE3-CB 4.38Å; W427-A559 HydrophobicContact CG-CB 4.49Å
428R59.2Low57.4Low134 Ų13461.5 Ų61.551%0.50633%0.328SS..Hα-helixtrans-72.6-46.4176.1-156-160.9-70.3-177.2-11.3113R424 N425 Q426 L430 S431 E432R424-R428 PolarHBondContact O-N 3.04Å; N425-R428 PolarHBondContact O-N 3.24Å; Q426-R428 PolarHBondContact O-N 3.3Å; R428-L430 PolarHBondContact O-N 2.97Å; R428-S431 WeakPolarHBondContact CA-OG 3.42Å; R428-S431 CarbonylContact O-C 3.56Å; R428-S431 WeakPolarHBondContact O-CA 3.43Å; R428-S431 PolarHBondContact O-N 3.47Å; R428-S431 PolarHBondContact O-OG 2.88Å; R428-E432 WeakPolarHBondContact CD-OE1 3.48Å; R428-E432 HydrophobicContact CG-CG 4.23Å; R428-E432 WeakPolarHBondContact CG-OE1 3.25Å; R428-E432 WeakPolarHBondContact O-CG 3.45Å; R428-E432 PolarHBondContact O-N 3.28Å
429K60.1Low56.4Low45 Ų4561.6 Ų61.620%0.19633%0.329CS..Hα-helixtrans-57.4-40.8175.3-156.6-171.9-174.2-171.50110.2E417 N425 Q426 S431 E432 S433E417-K429 IonicContact OE1-NZ 3.54Å; E417-K429 IonicContact OE2-NZ 3.95Å; E417-K429 PolarHBondContact OE2-NZ 3.41Å; N425-K429 PolarHBondContact O-N 2.77Å; Q426-K429 PolarHBondContact O-N 3.15Å; K429-S431 VanDerWaalsContact C-N 3.26Å; K429-S431 PolarHBondContact O-N 2.99Å; K429-E432 PolarHBondContact N-OE2 3.26Å; K429-E432 PolarHBondContact O-N 3.32Å; K429-E432 VanDerWaalsContact O-N 3.14Å; K429-S433 WeakPolarHBondContact O-CB 3.31Å; K429-S433 PolarHBondContact O-N 2.87Å; K429-S433 PolarHBondContact O-OG 3.37Å
430L54.2Low55.1Low8 Ų867 Ų674%0.04235%0.354CS..Hα-helixtrans-62.3-19.9172.9-84.2164.6000115.8F418 Q426 W427 R428 L438 Y448 V556F418-L430 HydrophobicContact CE2-CD1 3.81Å; F418-L430 HydrophobicContact CE2-CG 3.82Å; F418-L430 HydrophobicContact CZ-CD1 3.65Å; F418-L430 HydrophobicContact CZ-CG 4.14Å; Q426-L430 WeakPolarHBondContact O-CB 3.13Å; Q426-L430 PolarHBondContact O-N 2.96Å; W427-L430 HydrophobicContact CE3-CD1 3.84Å; W427-L430 HydrophobicContact CZ3-CD1 4.18Å; R428-L430 PolarHBondContact O-N 2.97Å; L430-L438 HydrophobicContact CD1-CD1 4.14Å; L430-L438 HydrophobicContact CD2-CD1 3.81Å; L430-L438 HydrophobicContact CD2-CD2 4.28Å; L430-L438 HydrophobicContact CD2-CG 3.74Å; L430-Y448 HydrophobicContact CD2-CD2 3.94Å; L430-Y448 HydrophobicContact CD2-CE2 3.8Å; L430-Y448 HydrophobicContact CG-CE2 4.33Å; L430-V556 WeakPolarHBondContact O-CG1 3.29Å
431S51.4Low53.9Low26 Ų2666.5 Ų66.518%0.18235%0.349CS..Hα-helixtrans-95.9-21.5172.459.40000113.6W427 R428 K429 V556W427-S431 PolarHBondContact O-N 3.29Å; R428-S431 WeakPolarHBondContact CA-OG 3.42Å; R428-S431 CarbonylContact O-C 3.56Å; R428-S431 WeakPolarHBondContact O-CA 3.43Å; R428-S431 PolarHBondContact O-N 3.47Å; R428-S431 PolarHBondContact O-OG 2.88Å; K429-S431 VanDerWaalsContact C-N 3.26Å; K429-S431 PolarHBondContact O-N 2.99Å; S431-V556 VanDerWaalsContact CA-CG1 3.46Å; S431-V556 VanDerWaalsContact CB-CG1 3.47Å
432E56.5Low52.4Low129 Ų12974.3 Ų74.360%0.60338%0.383SS*.Hα-helixtrans-87.9-31.1179.8-68.3161.415400111.5R428 K429 G434R428-E432 WeakPolarHBondContact CD-OE1 3.48Å; R428-E432 HydrophobicContact CG-CG 4.23Å; R428-E432 WeakPolarHBondContact CG-OE1 3.25Å; R428-E432 WeakPolarHBondContact O-CG 3.45Å; R428-E432 PolarHBondContact O-N 3.28Å; K429-E432 PolarHBondContact N-OE2 3.26Å; K429-E432 PolarHBondContact O-N 3.32Å; K429-E432 VanDerWaalsContact O-N 3.14Å; E432-G434 PolarHBondContact O-N 3Å
433S54.2Low51Low23 Ų2374.4 Ų74.416%0.16138%0.384CS..  trans-82.3104.6174.261.20000111.4K429 Y448K429-S433 WeakPolarHBondContact O-CB 3.31Å; K429-S433 PolarHBondContact O-N 2.87Å; K429-S433 PolarHBondContact O-OG 3.37Å; S433-Y448 WeakPolarHBondContact CB-OH 3.3Å; S433-Y448 PolarHBondContact OG-OH 3.21Å
434G45.8Very low50Low72 Ų7274.6 Ų74.674%0.74239%0.386SS*.SBendtrans-65-37.9175.800000113.7E432E432-G434 PolarHBondContact O-N 3Å
435D47.1Very low49.1Very low135 Ų13567.8 Ų67.872%0.72236%0.36SS*.SBendtrans-104.2-9.2-162-44.3-55.9000114.4
436E49.3Very low48.3Very low64 Ų6467.7 Ų67.730%0.29936%0.359SS..EExtended strand (participates in β ladder)trans-98111.3-173.6-64.4-170.4105.700112.3Y448 R552E436-Y448 HydrophobicContact CB-CE1 3.82Å; E436-Y448 HydrophobicContact CB-CE2 4.14Å; E436-Y448 HydrophobicContact CG-CE1 4.16Å; E436-Y448 VanDerWaalsContact OE1-CE1 3.3Å; E436-Y448 WeakPolarHBondContact OE1-CE1 3.39Å; E436-Y448 WeakPolarHBondContact OE2-CE1 3.42Å; E436-Y448 PolarHBondContact OE2-OH 2.99Å; E436-R552 PolarHBondContact O-NH2 3.14Å
437T46Very low47.5Very low22 Ų2268.3 Ų68.314%0.13536%0.362CS..EExtended strand (participates in β ladder)trans-83.2129.6-179.132.40000113L439 Y448 G449 L451 R552T437-L439 PolarHBondContact O-N 3.38Å; T437-L439 WeakPolarHBondContact OG1-CD2 3.22Å; T437-Y448 WeakPolarHBondContact O-CA 3.44Å; T437-G449 CarbonylContact C-O 3.6Å; T437-G449 WeakPolarHBondContact CA-O 3.46Å; T437-G449 PolarHBondContact N-O 2.91Å; T437-G449 PolarHBondContact O-N 2.91Å; T437-G449 PolarHBondContact OG1-O 3.28Å; T437-L451 HydrophobicContact CG2-CD1 3.45Å; T437-L451 VanDerWaalsContact CG2-CD1 3.45Å; T437-L451 HydrophobicContact CG2-CG 3.83Å; T437-L451 PolarHBondContact OG1-N 3.48Å; T437-R552 VanDerWaalsContact CA-NH1 3.32Å
438L49.8Very low47.2Very low50 Ų5066.3 Ų66.326%0.26236%0.355SS..EExtended strand (participates in β ladder)trans-56.7111.3141.1-68.6166.6000108.1L430 L446 I447 R552L430-L438 HydrophobicContact CD1-CD1 4.14Å; L430-L438 HydrophobicContact CD2-CD1 3.81Å; L430-L438 HydrophobicContact CD2-CD2 4.28Å; L430-L438 HydrophobicContact CD2-CG 3.74Å; L438-L446 HydrophobicContact CD2-CB 4.21Å; L438-I447 CarbonylContact C-O 3.57Å; L438-I447 VanDerWaalsContact CA-O 3.24Å; L438-I447 WeakPolarHBondContact CA-O 3.34Å; L438-R552 VanDerWaalsContact N-NH2 3.11Å; L438-R552 PolarHBondContact O-NH1 3.47Å
439L45.5Very low46.7Very low17 Ų1760 Ų609%0.08933%0.332CS..EExtended strand (participates in β ladder)trans-103.3125.3179.5-64.2175.1000108.3T437 R445 L446 I447 L453 L454T437-L439 PolarHBondContact O-N 3.38Å; T437-L439 WeakPolarHBondContact OG1-CD2 3.22Å; L439-R445 VanDerWaalsContact O-O 3.09Å; L439-L446 CarbonylContact O-C 3.4Å; L439-L446 WeakPolarHBondContact O-CA 3.33Å; L439-I447 HydrophobicContact CB-CB 4.47Å; L439-I447 PolarHBondContact N-O 3.34Å; L439-I447 PolarHBondContact O-N 3.34Å; L439-L453 HydrophobicContact CD1-CB 3.8Å; L439-L453 HydrophobicContact CD1-CD1 4.08Å; L439-L454 HydrophobicContact CD2-CD1 3.57Å; L439-L454 HydrophobicContact CD2-CD2 4.39Å; L439-L454 HydrophobicContact CD2-CG 3.7Å
440E44.2Very low46.1Very low130 Ų13060.5 Ų60.561%0.60734%0.34SS*.EExtended strand (participates in β ladder)trans-87.5117.1174-167.1162.117300110R445 L446E440-R445 WeakPolarHBondContact CA-O 3.39Å; E440-L446 HydrophobicContact CB-CD2 4Å; E440-L446 HydrophobicContact CG-CD2 4.3Å
441T44.9Very low45.3Very low39 Ų3965.3 Ų65.324%0.23937%0.365CS..PPolyproline II helixtrans-72.816817766.90000111.5S443 G444 R445 I447T441-S443 PolarHBondContact O-N 3.14Å; T441-S443 PolarHBondContact OG1-N 2.94Å; T441-S443 VanDerWaalsContact OG1-N 3.14Å; T441-S443 PolarHBondContact OG1-OG 2.89Å; T441-G444 PolarHBondContact O-N 3.26Å; T441-R445 HydrophobicContact CG2-CB 4.22Å; T441-R445 PolarHBondContact N-O 3.05Å; T441-R445 WeakPolarHBondContact OG1-CB 3.01Å; T441-R445 PolarHBondContact OG1-N 3.32Å; T441-R445 PolarHBondContact OG1-O 3.07Å; T441-I447 HydrophobicContact CG2-CD1 3.44Å; T441-I447 VanDerWaalsContact CG2-CD1 3.44Å; T441-I447 HydrophobicContact CG2-CG1 3.79Å
442K35.2Very low45Very low230 Ų23068.2 Ų68.2100%139%0.386SS*.THydrogen-bonded Turntrans-59-5.7167.9-61.6-175.9179.2-177.90114.6
443S34.5Very low44.3Very low69 Ų6967.6 Ų67.648%0.48339%0.385SS..THydrogen-bonded Turntrans-109.811.1174510000113.6T441 R445T441-S443 PolarHBondContact O-N 3.14Å; T441-S443 PolarHBondContact OG1-N 2.94Å; T441-S443 VanDerWaalsContact OG1-N 3.14Å; T441-S443 PolarHBondContact OG1-OG 2.89Å; S443-R445 PolarHBondContact O-N 2.94Å; S443-R445 WeakPolarHBondContact OG-CD 3.46Å; S443-R445 WeakPolarHBondContact OG-CG 3.36Å
444G37.3Very low43.5Very low43 Ų4371.2 Ų71.244%0.44340%0.403SS..SBendtrans7116.7-179.400000114T441T441-G444 PolarHBondContact O-N 3.26Å
445R39.2Very low42.9Very low32 Ų3271.3 Ų71.312%0.12140%0.396CS..  trans-89.8134.6-179.1-57.3178.2164.2-157.2-10.4108.8C16 D17 D411 L439 E440 T441 S443 I447C16-R445 HydrophobicContact CB-CB 4.16Å; C16-R445 VanDerWaalsContact CB-CD 3.5Å; C16-R445 HydrophobicContact CB-CG 3.66Å; D17-R445 IonicContact OD2-CZ 2.65Å; D17-R445 IonicContact OD2-NE 3.55Å; D17-R445 IonicContact OD2-NH2 3.54Å; D17-R445 PolarHBondContact OD2-NH2 2.96Å; D411-R445 WeakPolarHBondContact OD1-CD 3.32Å; D411-R445 IonicContact OD1-CZ 3.09Å; D411-R445 IonicContact OD1-NE 3.19Å; D411-R445 IonicContact OD1-NH1 2.85Å; D411-R445 PolarHBondContact OD1-NH1 2.86Å; D411-R445 WeakPolarHBondContact OD2-CB 3.46Å; D411-R445 VanDerWaalsContact OD2-CD 3.3Å; D411-R445 WeakPolarHBondContact OD2-CD 3.5Å; L439-R445 VanDerWaalsContact O-O 3.09Å; E440-R445 WeakPolarHBondContact CA-O 3.39Å; T441-R445 HydrophobicContact CG2-CB 4.22Å; T441-R445 PolarHBondContact N-O 3.05Å; T441-R445 WeakPolarHBondContact OG1-CB 3.01Å; T441-R445 PolarHBondContact OG1-N 3.32Å; T441-R445 PolarHBondContact OG1-O 3.07Å; S443-R445 PolarHBondContact O-N 2.94Å; S443-R445 WeakPolarHBondContact OG-CD 3.46Å; S443-R445 WeakPolarHBondContact OG-CG 3.36Å; R445-I447 PolarHBondContact O-N 2.92Å
446L44.3Very low42.3Very low75 Ų7571 Ų7139%0.39340%0.4SS..EExtended strand (participates in β ladder)trans-94.388.5-178.7-66.9173.5000110.5L438 L439 E440L438-L446 HydrophobicContact CD2-CB 4.21Å; L439-L446 CarbonylContact O-C 3.4Å; L439-L446 WeakPolarHBondContact O-CA 3.33Å; E440-L446 HydrophobicContact CB-CD2 4Å; E440-L446 HydrophobicContact CG-CD2 4.3Å
447I45.8Very low41.4Very low31 Ų3172.6 Ų72.616%0.15942%0.418CS..EExtended strand (participates in β ladder)trans-73.9151.8173.9-67.6-178000109.5D411 L438 L439 T441 R445D411-I447 HydrophobicContact CB-CD1 4.31Å; D411-I447 HydrophobicContact CB-CG1 4.45Å; L438-I447 CarbonylContact C-O 3.57Å; L438-I447 VanDerWaalsContact CA-O 3.24Å; L438-I447 WeakPolarHBondContact CA-O 3.34Å; L439-I447 HydrophobicContact CB-CB 4.47Å; L439-I447 PolarHBondContact N-O 3.34Å; L439-I447 PolarHBondContact O-N 3.34Å; T441-I447 HydrophobicContact CG2-CD1 3.44Å; T441-I447 VanDerWaalsContact CG2-CD1 3.44Å; T441-I447 HydrophobicContact CG2-CG1 3.79Å; R445-I447 PolarHBondContact O-N 2.92Å
448Y46.7Very low40.6Very low18 Ų1877 Ų777%0.07145%0.446CS..EExtended strand (participates in β ladder)trans-110.2116.5177.1178.7-82.7000109.8N415 L430 S433 E436 T437N415-Y448 HydrophobicContact CB-CD1 4.4Å; L430-Y448 HydrophobicContact CD2-CD2 3.94Å; L430-Y448 HydrophobicContact CD2-CE2 3.8Å; L430-Y448 HydrophobicContact CG-CE2 4.33Å; S433-Y448 WeakPolarHBondContact CB-OH 3.3Å; S433-Y448 PolarHBondContact OG-OH 3.21Å; E436-Y448 HydrophobicContact CB-CE1 3.82Å; E436-Y448 HydrophobicContact CB-CE2 4.14Å; E436-Y448 HydrophobicContact CG-CE1 4.16Å; E436-Y448 VanDerWaalsContact OE1-CE1 3.3Å; E436-Y448 WeakPolarHBondContact OE1-CE1 3.39Å; E436-Y448 WeakPolarHBondContact OE2-CE1 3.42Å; E436-Y448 PolarHBondContact OE2-OH 2.99Å; T437-Y448 WeakPolarHBondContact O-CA 3.44Å
449G49.9Very low39.7Very low3 Ų383.6 Ų83.63%0.03147%0.473CS..EExtended strand (participates in β ladder)trans178.3170.9177.100000113.5T437T437-G449 CarbonylContact C-O 3.6Å; T437-G449 WeakPolarHBondContact CA-O 3.46Å; T437-G449 PolarHBondContact N-O 2.91Å; T437-G449 PolarHBondContact O-N 2.91Å; T437-G449 PolarHBondContact OG1-O 3.28Å
450P45.6Very low38.9Very low54 Ų5491.2 Ų91.235%0.35151%0.506SS..EExtended strand (participates in β ladder)trans-65.5155.8-176.228.3-36.5000112.9S452 L453P450-S452 PolarHBondContact O-N 3.39Å; P450-L453 HydrophobicContact CG-CG 4.45Å; P450-L453 PolarHBondContact O-N 3.04Å; P450-L453 VanDerWaalsContact O-N 3.08Å
451L37.7Very low38.1Very low109 Ų10992.3 Ų92.357%0.57152%0.516SS*.G310 helixtrans-57.7-24.2-179.8-75.889.6000113.4T437 L453 L454T437-L451 HydrophobicContact CG2-CD1 3.45Å; T437-L451 VanDerWaalsContact CG2-CD1 3.45Å; T437-L451 HydrophobicContact CG2-CG 3.83Å; T437-L451 PolarHBondContact OG1-N 3.48Å; L451-L453 PolarHBondContact O-N 3.18Å; L451-L453 VanDerWaalsContact O-N 3.1Å; L451-L454 WeakPolarHBondContact O-CB 3.45Å; L451-L454 PolarHBondContact O-N 3.46Å
452S44.7Very low37.3Very low88 Ų8897.5 Ų97.562%0.61554%0.541SS*.G310 helixtrans-58.4-20.1176.149.80000114P450 L454 A455P450-S452 PolarHBondContact O-N 3.39Å; S452-L454 VanDerWaalsContact C-N 3.27Å; S452-L454 PolarHBondContact O-N 3.07Å; S452-A455 WeakPolarHBondContact O-CB 3.32Å; S452-A455 PolarHBondContact O-N 2.95Å
453L42.1Very low37.2Very low115 Ų11595.1 Ų95.160%0.60254%0.538SS*.G310 helixtrans-72.4-15.4172.5-65.3172.6000113.8L439 P450 L451L439-L453 HydrophobicContact CD1-CB 3.8Å; L439-L453 HydrophobicContact CD1-CD1 4.08Å; P450-L453 HydrophobicContact CG-CG 4.45Å; P450-L453 PolarHBondContact O-N 3.04Å; P450-L453 VanDerWaalsContact O-N 3.08Å; L451-L453 PolarHBondContact O-N 3.18Å; L451-L453 VanDerWaalsContact O-N 3.1Å
454L38.6Very low37.1Very low100 Ų10096.6 Ų96.652%0.52455%0.548SS..G310 helixtrans-87-10.7170-71.8172.2000113.1L439 L451 S452 T456L439-L454 HydrophobicContact CD2-CD1 3.57Å; L439-L454 HydrophobicContact CD2-CD2 4.39Å; L439-L454 HydrophobicContact CD2-CG 3.7Å; L451-L454 WeakPolarHBondContact O-CB 3.45Å; L451-L454 PolarHBondContact O-N 3.46Å; S452-L454 VanDerWaalsContact C-N 3.27Å; S452-L454 PolarHBondContact O-N 3.07Å; L454-T456 VanDerWaalsContact C-N 3.3Å; L454-T456 PolarHBondContact O-N 3.13Å
455A33.6Very low36.8Very low73 Ų73100.2 Ų100.260%0.60357%0.567SS**  trans-73.281.9-174.600000111.3S452 S457S452-A455 WeakPolarHBondContact O-CB 3.32Å; S452-A455 PolarHBondContact O-N 2.95Å; A455-S457 PolarHBondContact O-N 3.1Å
456T34.3Very low36.7Very low130 Ų130104.1 Ų104.180%0.79860%0.599SS**  trans-59.1103.4159.550.70000107.6L454L454-T456 VanDerWaalsContact C-N 3.3Å; L454-T456 PolarHBondContact O-N 3.13Å
457S29.7Very low36.1Very low97 Ų97104.7 Ų104.768%0.67861%0.609SS**  trans-57.2128.5178.349.20000109.2A455 K459A455-S457 PolarHBondContact O-N 3.1Å; S457-K459 PolarHBondContact O-N 3.09Å
458P29.2Very low35.7Very low113 Ų113109.5 Ų109.573%0.73464%0.636SS**  trans-63.3113.3173.625.8-32.1000106.9K460P458-K460 VanDerWaalsContact C-N 3.27Å; P458-K460 PolarHBondContact O-N 3.17Å
459K30.1Very low35.1Very low189 Ų189114 Ų11482%0.82267%0.665SS**  trans-63.893.2174.5-77.9-169.8175.5-174.60108.2S457 N461S457-K459 PolarHBondContact O-N 3.09Å; K459-N461 VanDerWaalsContact C-N 3.25Å; K459-N461 PolarHBondContact O-N 2.91Å
460K29.8Very low34.6Very low178 Ų178119 Ų11977%0.77470%0.7SS**  trans-64.189.9167.5-74.9-173.6175.4-176.90108P458 L462P458-K460 VanDerWaalsContact C-N 3.27Å; P458-K460 PolarHBondContact O-N 3.17Å; K460-L462 PolarHBondContact O-N 3.17Å
461N28Very low34.2Very low153 Ų153122.9 Ų122.982%0.81872%0.718SS**  trans-70.374163.8-74.94.6000108.5K459K459-N461 VanDerWaalsContact C-N 3.25Å; K459-N461 PolarHBondContact O-N 2.91Å
462L27.2Very low34.3Very low147 Ų147125.1 Ų125.177%0.7773%0.729SS**  trans-112.293.9162.5-93.980.4000108K460K460-L462 PolarHBondContact O-N 3.17Å
463L33Very low34.1Very low180 Ų180124.9 Ų124.994%0.94273%0.727SS**  trans-140.5139.3149.1-95.9130.5000106.7
464S31.7Very low33.7Very low100 Ų100126.8 Ų126.870%0.69974%0.738SS**  trans-104.6162-162.752.10000112.6
465S31.5Very low33.5Very low119 Ų119128.2 Ų128.283%0.83276%0.755SS**  trans62.8149.7165.349.20000116.3
466S36.7Very low33.6Very low114 Ų114128.7 Ų128.780%0.79776%0.759SS**  cis-134.7-169.79.556.10000113
467S33Very low33.5Very low87 Ų87128.1 Ų128.161%0.60876%0.76SS**  trans-71.9-177-170.446.60000116.6
468D36Very low33.9Very low133 Ų133129.4 Ų129.471%0.71177%0.769SS**  trans84.4127.3156.3-46.8-49.1000116.6
469T35Very low34.2Very low113 Ų113131.8 Ų131.869%0.69377%0.771SS**  cis162.7146.8-19.430.40000104.6
470S38.4Very low34.6Very low107 Ų107130.8 Ų130.875%0.74877%0.774SS**  trans65.515316779.20000116.2
471D38.1Very low34.9Very low136 Ų136128.4 Ų128.473%0.72777%0.77SS**  cis-163.8165.6-13.1-121.7-24.9000111.3
472L40.3Very low35.5Very low156 Ų156128.2 Ų128.282%0.81778%0.775SS**  trans62.7172.7159.1-60.9160.1000118.6
473S39Very low35.7Very low82 Ų82128.1 Ų128.157%0.57378%0.775SS**  -173.1149.3-69.253.50000111.3
474D34.9Very low36Very low155 Ų155127 Ų12783%0.82977%0.77SS**  trans71165153.1-60.8-21.7000122.7
475C33.5Very low36.5Very low131 Ų131129.1 Ų129.189%0.88578%0.778SS**  trans67143.3179-84.70000119.2
476A36Very low36.5Very low83 Ų83130.4 Ų130.469%0.68678%0.776SS**  cis166.6136-46.400000108.6
477S32.2Very low36.6Very low118 Ų118131.9 Ų131.983%0.82578%0.775SS**  trans24.5124.9153.9590000121.7
478S38.8Very low36.9Very low124 Ų124131.2 Ų131.287%0.86777%0.77SS**  trans-144.5143.1132.637.50000110.5
479Q35.6Very low36.9Very low162 Ų162132.2 Ų132.276%0.75778%0.775SS**  trans-108.5158.6160.5-72.9170.6-119.300106.9
480D38.4Very low37Very low169 Ų169134.8 Ų134.890%0.90479%0.785SS**  trans-152142.6149.3-94.4-43.4000108.3
481D35.9Very low36.8Very low128 Ų128136 Ų13668%0.68478%0.783SS**  trans-104.5159.5-175.4-55.6-70.2000111.3
482T40Very low36.8Very low148 Ų148140.5 Ų140.591%0.90879%0.79SS**  trans-166.5146.1151.9-10000112
483D32.3Very low36.5Very low146 Ų146138.7 Ų138.778%0.78179%0.785SS**  trans-104.1-159.1-172.3-67.3-74.4000113.5
484D38.4Very low36.3Very low157 Ų157143 Ų14384%0.8480%0.796SS**  trans75.5144.8174.7-52.3-40.4000116.3
485V42.2Very low36Very low143 Ų143143.8 Ų143.887%0.86780%0.795SS**  cis-136.2158.212.4-166.10000110.6
486D31.8Very low36.2Very low147 Ų147145.8 Ų145.879%0.78680%0.795SS**  trans-95152.3177.8-178.226.3000113.8
487D39.6Very low36.1Very low144 Ų144146.5 Ų146.577%0.7779%0.791SS**  trans-162.5105157-156.513.8000115.7
488S38.6Very low36.2Very low73 Ų73148 Ų14851%0.5179%0.789SS.*  trans48.6116137-52.20000124.7
489N35.1Very low36.2Very low154 Ų154147 Ų14782%0.82478%0.782SS**  45.2130.1116.4-50.2-46.2000122.2
490D37.7Very low36.3Very low167 Ų167147.7 Ų147.789%0.89379%0.785SS**  -165.6172.189.9-151.8-10000111.1
491D34.7Very low35.9Very low133 Ų133146.5 Ų146.571%0.71178%0.779SS**  trans-118.9-177.6-154.9-147.7-25.4000114.9
492R37.7Very low35.9Very low231 Ų231146 Ų14687%0.87278%0.777SS**  trans100150.6163.6-53.5164.281.5162.97.4118.2
493V33.7Very low35.8Very low117 Ų117146.7 Ų146.771%0.70977%0.773SS**  cis168.4157.2-42.3148.70000108.5
494E34.7Very low36Very low173 Ų173149.4 Ų149.481%0.80877%0.772SS**  trans75.6121-177.8-41.8-153.6134.600115.3
495Q30.2Very low35.8Very low171 Ų171150.5 Ų150.580%0.79977%0.769SS**  cis90.4109.145.5-75.9-161.832.600115.2
496I36.5Very low35.5Very low173 Ų173149.2 Ų149.289%0.88776%0.762SS**  trans-173.8157.8151.7-103.2156000108.4
497V33.9Very low35.6Very low99 Ų99147.4 Ų147.460%0.676%0.756SS**  -171142.6-64.8137.60000108
498N35.1Very low35.4Very low149 Ų149148.9 Ų148.980%0.79776%0.758SS**  trans66.1154.7176-62.2-20.8000116
499S37.4Very low35.3Very low102 Ų102151.1 Ų151.171%0.71377%0.77SS**  cis-168.9178.4-14.2-97.60000108.1
500E37.8Very low35.2Very low177 Ų177149.6 Ų149.683%0.82777%0.765SS**  cis-121.6-127.74.9-64.3179.770.300111.4
501N31.7Very low35Very low144 Ų144153.1 Ų153.177%0.7777%0.766SS**  trans-172.8-176.7179.6-114.8-74.9000112.8
502N35.6Very low34.8Very low119 Ų119156.4 Ų156.464%0.63677%0.774SS**  trans90.4148.1169.2-48-65.9000115.6
503I37.8Very low34.6Very low161 Ų161150.2 Ų150.283%0.82677%0.772SS**  cis-140.5115.122.2-67.4167.2000107.4
504R34.9Very low34.5Very low203 Ų203154.6 Ų154.677%0.76678%0.782SS**  50.7129.573.1-82.4-177.3173.6-176.7-0.6114.2
505K35Very low34.6Very low181 Ų181151 Ų15179%0.78777%0.774SS**  cis-150.1-1758.1-88172.5169.2-176.70106.5
506T35.6Very low34.5Very low116 Ų116150.3 Ų150.371%0.71278%0.775SS**  cis-167.4147.343.8420000113.6
507T35.3Very low34.3Very low108 Ų108146.6 Ų146.666%0.66377%0.765SS**  trans50.3121.9146.256.80000120.4
508E34.6Very low34.5Very low175 Ų175151 Ų15182%0.81878%0.779SS**  67.813968.3-63.5177.1123.200113.3
509T37Very low34.2Very low121 Ų121149.4 Ų149.474%0.74278%0.779SS**  cis-142.7138.528.448.70000112.2
510V32.7Very low34Very low121 Ų121149.8 Ų149.873%0.73378%0.782SS**  57116.978.61730000112.8
511R33.8Very low33.7Very low242 Ų242148.8 Ų148.891%0.91378%0.781SS**  -152-16562-60.1173.7-177.4137.31.3113
512K30.4Very low33.7Very low202 Ų202149.1 Ų149.188%0.87878%0.782SS**  178.284.3-77.9-174.8-165.5177.4-175.80114.9
513A33.9Very low33.7Very low101 Ų101148.3 Ų148.384%0.83579%0.786SS**  trans-164.3136.1163.200000111.3
514K30.9Very low33.5Very low209 Ų209146.9 Ų146.991%0.90979%0.785SS**  cis108.914422.3-98.5-126.6169.2-1760114.2
515P35.9Very low33.5Very low98 Ų98142.9 Ų142.964%0.63679%0.785SS**  trans-133.9-156.2-147.344.2-25.1000115.6
516N28.3Very low33.2Very low156 Ų156142.2 Ų142.283%0.83478%0.782SS**  trans84.2149.7-176.2-59.90.4000113.3
517S33.4Very low32.8Very low95 Ų95143.4 Ų143.466%0.66478%0.784SS**  cis-159.9155.730.6550000116.9
518Q37Very low32.6Very low191 Ų191142.6 Ų142.689%0.89378%0.783SS**  trans72.2169.6145.4-76172.4-9.500120.6
519S29Very low32.5Very low116 Ų116141.9 Ų141.981%0.81178%0.78SS**  trans-155141.8-152.155.60000113.4
520S33.8Very low32.3Very low109 Ų109140.8 Ų140.876%0.76278%0.777SS**  trans-164.5133.2159.156.20000113
521L31.9Very low32.3Very low157 Ų157140.6 Ų140.682%0.82277%0.772SS**  23.9137129.1-47.6174.6000117.6
522L30.9Very low32.4Very low150 Ų150134.5 Ų134.579%0.78576%0.757SS**  cis-157.7179.512.4-144.672.7000106.5
523S35.8Very low32.7Very low103 Ų103129.6 Ų129.672%0.7274%0.744SS**  cis-158.3168.69.3-9.90000110.8
524T33.5Very low32.7Very low131 Ų131131.1 Ų131.180%0.80473%0.732SS**  trans-96.6153.3176.255.90000112.4
525P35.6Very low32.9Very low118 Ų118123.4 Ų123.477%0.76671%0.707SS**  -146.4161.785.740.2-24.8000113
526K27.4Very low32.7Very low168 Ų168125.9 Ų125.973%0.7371%0.712SS**  cis177.3153.9-0.8-109.3-179.4167.8-161.40106.4
527D28.4Very low33.1Very low141 Ų141122.1 Ų122.175%0.75469%0.694SS**  trans57.471.8144.4-45.8-19.7000119.8
528S31.5Very low33.3Very low90 Ų90121.7 Ų121.763%0.62969%0.685SS**  trans-151.9-44.2160.360.10000116.4S530S528-S530 VanDerWaalsContact C-N 3.3Å; S528-S530 PolarHBondContact O-N 3.29Å; S528-S530 VanDerWaalsContact O-N 3.07Å
529E31.1Very low33.9Very low161 Ų161117.7 Ų117.775%0.75267%0.669SS**THydrogen-bonded Turntrans-72.4-3.8-160-59.4-177.6127.700117.3N531E529-N531 VanDerWaalsContact C-N 3.33Å; E529-N531 PolarHBondContact O-N 3.47Å
530S33.3Very low34.5Very low97 Ų97119.3 Ų119.368%0.67866%0.662SS**THydrogen-bonded Turntrans-76.1-13.8-171.858.40000115.4S528S528-S530 VanDerWaalsContact C-N 3.3Å; S528-S530 PolarHBondContact O-N 3.29Å; S528-S530 VanDerWaalsContact O-N 3.07Å
531N33.1Very low35.3Very low117 Ų117119.9 Ų119.963%0.62665%0.653SS**THydrogen-bonded Turntrans-92.9-38.2-179.2-71.7-36.8000113.3E529 K534 A535E529-N531 VanDerWaalsContact C-N 3.33Å; E529-N531 PolarHBondContact O-N 3.47Å; N531-K534 WeakPolarHBondContact O-CB 3.48Å; N531-K534 PolarHBondContact O-N 3.43Å; N531-K534 VanDerWaalsContact O-N 3.13Å; N531-A535 PolarHBondContact O-N 3.46Å
532D35.8Very low36.4Very low114 Ų114117.7 Ų117.761%0.6164%0.642SS**Hα-helixtrans-70.1-36.7-173.8-66.4-48.2000112.7K534 A535 M536D532-K534 PolarHBondContact O-N 3.42Å; D532-A535 PolarHBondContact O-N 2.97Å; D532-M536 PolarHBondContact O-N 3.23Å
533V36.3Very low37.4Very low99 Ų99115 Ų11560%0.663%0.628SS**Hα-helixtrans-58.2-37.3172.4-179.20000110.8M536 T537V533-M536 PolarHBondContact O-N 3.27Å; V533-T537 PolarHBondContact O-N 2.97Å; V533-T537 PolarHBondContact O-OG1 3.07Å
534K34.4Very low38.4Very low134 Ų134115.6 Ų115.658%0.58362%0.615SS**Hα-helixtrans-74.3-43.6179.8-157.6172.4-175.1178.20111.8N531 D532 M536 T537 D538N531-K534 WeakPolarHBondContact O-CB 3.48Å; N531-K534 PolarHBondContact O-N 3.43Å; N531-K534 VanDerWaalsContact O-N 3.13Å; D532-K534 PolarHBondContact O-N 3.42Å; K534-M536 PolarHBondContact O-N 3.17Å; K534-T537 WeakPolarHBondContact CA-OG1 3.26Å; K534-T537 PolarHBondContact O-N 2.88Å; K534-T537 VanDerWaalsContact O-N 3.13Å; K534-T537 PolarHBondContact O-OG1 2.82Å; K534-D538 WeakPolarHBondContact O-CB 3.17Å; K534-D538 PolarHBondContact O-N 3.19Å
535A35.1Very low39.5Very low47 Ų47115.1 Ų115.139%0.38860%0.602SS.*Hα-helixtrans-59.4-31.6171.700000112.5N531 D532 N539N531-A535 PolarHBondContact O-N 3.46Å; D532-A535 PolarHBondContact O-N 2.97Å; A535-N539 PolarHBondContact O-N 2.95Å; A535-N539 PolarHBondContact O-ND2 2.58Å
536M31.1Very low40.6Very low150 Ų150112.5 Ų112.574%0.73958%0.584SS**Hα-helixtrans-73.7-38.5172.4-77.5-166.8168.700113.7D532 V533 K534 F540D532-M536 PolarHBondContact O-N 3.23Å; V533-M536 PolarHBondContact O-N 3.27Å; K534-M536 PolarHBondContact O-N 3.17Å; M536-F540 PolarHBondContact O-N 2.8Å
537T37.4Very low42.3Very low76 Ų76105 Ų10547%0.46655%0.551SS.*Hα-helixtrans-66.9-44175.649.70000112V533 K534 N539 F540 E541V533-T537 PolarHBondContact O-N 2.97Å; V533-T537 PolarHBondContact O-OG1 3.07Å; K534-T537 WeakPolarHBondContact CA-OG1 3.26Å; K534-T537 PolarHBondContact O-N 2.88Å; K534-T537 VanDerWaalsContact O-N 3.13Å; K534-T537 PolarHBondContact O-OG1 2.82Å; T537-N539 VanDerWaalsContact C-N 3.33Å; T537-N539 PolarHBondContact O-N 3.45Å; T537-F540 PolarHBondContact O-N 3.28Å; T537-F540 VanDerWaalsContact O-N 3.07Å; T537-E541 PolarHBondContact O-N 3.02Å; T537-E541 VanDerWaalsContact O-N 3.16Å
538D37.9Very low44.1Very low86 Ų86101 Ų10146%0.4653%0.528SS..Hα-helixtrans-63-41.6-176.7-61.1-2.7000110.3K534 F540 E541 D542K534-D538 WeakPolarHBondContact O-CB 3.17Å; K534-D538 PolarHBondContact O-N 3.19Å; D538-F540 VanDerWaalsContact C-N 3.33Å; D538-F540 PolarHBondContact O-N 3.39Å; D538-E541 PolarHBondContact O-N 2.91Å; D538-D542 PolarHBondContact O-N 2.88Å; D538-D542 VanDerWaalsContact O-N 3.11Å
539N49.7Very low45.7Very low107 Ų10798.2 Ų98.257%0.57251%0.514SS*.Hα-helixtrans-60.2-36.2173.2-92.3-76.3000113.8A535 T537 L543A535-N539 PolarHBondContact O-N 2.95Å; A535-N539 PolarHBondContact O-ND2 2.58Å; T537-N539 VanDerWaalsContact C-N 3.33Å; T537-N539 PolarHBondContact O-N 3.45Å; N539-L543 WeakPolarHBondContact O-CB 3.46Å; N539-L543 PolarHBondContact O-N 3.47Å
540F41.3Very low47.6Very low151 Ų15190.9 Ų90.966%0.66248%0.479SS*.Hα-helixtrans-71.5-39.3179.9-176.3-91.8000111.6M536 T537 D538 L543 Y544M536-F540 PolarHBondContact O-N 2.8Å; T537-F540 PolarHBondContact O-N 3.28Å; T537-F540 VanDerWaalsContact O-N 3.07Å; D538-F540 VanDerWaalsContact C-N 3.33Å; D538-F540 PolarHBondContact O-N 3.39Å; F540-L543 PolarHBondContact O-N 2.89Å; F540-Y544 WeakPolarHBondContact O-CB 3.37Å; F540-Y544 PolarHBondContact O-N 2.88Å
541E50.6Low49.5Very low120 Ų12086.2 Ų86.256%0.56145%0.447SS*.Hα-helixtrans-68.3-43.1179.3-165.1150.3-139.500111T537 D538 L543 Y544 F545T537-E541 PolarHBondContact O-N 3.02Å; T537-E541 VanDerWaalsContact O-N 3.16Å; D538-E541 PolarHBondContact O-N 2.91Å; E541-L543 PolarHBondContact O-N 3.08Å; E541-Y544 PolarHBondContact O-N 3.2Å; E541-F545 HydrophobicContact CG-CD2 3.95Å; E541-F545 HydrophobicContact CG-CE2 3.8Å; E541-F545 VanDerWaalsContact O-CD2 3.31Å; E541-F545 WeakPolarHBondContact O-CD2 3.45Å; E541-F545 PolarHBondContact O-N 3.24Å
542D54Low51.1Low111 Ų11182.9 Ų82.959%0.59443%0.425SS*.Hα-helixtrans-62-40.7172.1-90.1-16.9000112.9D538 Y544 F545 T546D538-D542 PolarHBondContact O-N 2.88Å; D538-D542 VanDerWaalsContact O-N 3.11Å; D542-Y544 VanDerWaalsContact C-N 3.33Å; D542-Y544 PolarHBondContact O-N 2.78Å; D542-F545 PolarHBondContact O-N 3.46Å; D542-T546 VanDerWaalsContact O-CB 3.22Å; D542-T546 WeakPolarHBondContact O-CB 3.27Å; D542-T546 PolarHBondContact O-N 3.37Å; D542-T546 PolarHBondContact O-OG1 3.37Å
543L52.6Low52.7Low95 Ų9583.6 Ų83.650%0.49742%0.42SS..Hα-helixtrans-61.4-40.9173-96.4161.9000112N539 F540 E541 Y547 V632N539-L543 WeakPolarHBondContact O-CB 3.46Å; N539-L543 PolarHBondContact O-N 3.47Å; F540-L543 PolarHBondContact O-N 2.89Å; E541-L543 PolarHBondContact O-N 3.08Å; L543-Y547 VanDerWaalsContact O-CB 3.25Å; L543-Y547 WeakPolarHBondContact O-CB 3.4Å; L543-Y547 PolarHBondContact O-N 3.45Å; L543-V632 HydrophobicContact CD2-CG1 4.36Å
544Y55.2Low54.6Low114 Ų11478.9 Ų78.945%0.44739%0.391SS..Hα-helixtrans-68-44178.2179.4-102.4000112.3F540 E541 D542 Y547 Q548F540-Y544 WeakPolarHBondContact O-CB 3.37Å; F540-Y544 PolarHBondContact O-N 2.88Å; E541-Y544 PolarHBondContact O-N 3.2Å; D542-Y544 VanDerWaalsContact C-N 3.33Å; D542-Y544 PolarHBondContact O-N 2.78Å; Y544-Y547 PolarHBondContact O-N 2.89Å; Y544-Q548 HydrophobicContact CE1-CG 4.14Å; Y544-Q548 HydrophobicContact CE2-CG 4.19Å; Y544-Q548 WeakPolarHBondContact O-CG 3.39Å; Y544-Q548 PolarHBondContact O-N 2.89Å; Y544-Q548 PolarHBondContact OH-NE2 3.22Å; Y544-Q548 VanDerWaalsContact OH-NE2 3.1Å
545F58.2Low56.5Low122 Ų12275.5 Ų75.554%0.53537%0.374SS..Hα-helixtrans-63.3-45173.9-86.2-71000112E541 D542 Y547 Q548 G549E541-F545 HydrophobicContact CG-CD2 3.95Å; E541-F545 HydrophobicContact CG-CE2 3.8Å; E541-F545 VanDerWaalsContact O-CD2 3.31Å; E541-F545 WeakPolarHBondContact O-CD2 3.45Å; E541-F545 PolarHBondContact O-N 3.24Å; D542-F545 PolarHBondContact O-N 3.46Å; F545-Y547 PolarHBondContact O-N 2.8Å; F545-Q548 PolarHBondContact O-N 3.45Å; F545-G549 PolarHBondContact O-N 3.2Å
546T58.2Low58Low62 Ų6274 Ų7438%0.3836%0.361SS..Hα-helixtrans-60.9-44.3176.9-59.10000111.3D542 G549 W550 P628D542-T546 VanDerWaalsContact O-CB 3.22Å; D542-T546 WeakPolarHBondContact O-CB 3.27Å; D542-T546 PolarHBondContact O-N 3.37Å; D542-T546 PolarHBondContact O-OG1 3.37Å; T546-G549 PolarHBondContact O-N 2.95Å; T546-W550 WeakPolarHBondContact O-CB 3.16Å; T546-W550 PolarHBondContact O-N 3.3Å; T546-P628 HydrophobicContact CG2-CG 4.3Å
547Y63.5Low59.9Low10 Ų1066.9 Ų66.94%0.03933%0.326CS..Hα-helixtrans-58.1-51.6173.4164.3-123.4000112.1L543 Y544 F545 G549 W550 H551 L636 H639L543-Y547 VanDerWaalsContact O-CB 3.25Å; L543-Y547 WeakPolarHBondContact O-CB 3.4Å; L543-Y547 PolarHBondContact O-N 3.45Å; Y544-Y547 PolarHBondContact O-N 2.89Å; F545-Y547 PolarHBondContact O-N 2.8Å; Y547-G549 VanDerWaalsContact C-N 3.3Å; Y547-G549 PolarHBondContact O-N 3.11Å; Y547-W550 HydrophobicContact CD2-CE3 4.48Å; Y547-W550 PolarHBondContact O-N 2.91Å; Y547-H551 HydrophobicContact CD2-CB 4.12Å; Y547-H551 HydrophobicContact CE2-CB 3.71Å; Y547-H551 AromaticContact CE2-CD2 3.61Å; Y547-H551 AromaticContact CZ-CD2 3.81Å; Y547-H551 WeakPolarHBondContact O-CB 3.24Å; Y547-H551 PolarHBondContact O-N 2.76Å; Y547-H551 PolarHBondContact OH-CD2 3.26Å; Y547-H551 VanDerWaalsContact OH-CD2 3.27Å; Y547-L636 HydrophobicContact CD1-CD2 4.36Å; Y547-L636 HydrophobicContact CD2-CB 3.67Å; Y547-L636 HydrophobicContact CD2-CD1 3.64Å; Y547-L636 HydrophobicContact CD2-CD2 3.63Å; Y547-L636 HydrophobicContact CD2-CG 3.83Å; Y547-L636 HydrophobicContact CE2-CB 3.73Å; Y547-L636 HydrophobicContact CE2-CD2 3.92Å; Y547-L636 HydrophobicContact CE2-CG 4.25Å; Y547-L636 HydrophobicContact CG-CD1 4.02Å; Y547-L636 HydrophobicContact CG-CD2 3.86Å; Y547-L636 HydrophobicContact CG-CG 4.39Å; Y547-H639 HydrophobicContact CE2-CB 4.45Å; Y547-H639 AromaticContact CZ-CG 3.86Å; Y547-H639 AromaticContact CZ-ND1 3.86Å; Y547-H639 WeakPolarHBondContact OH-CB 3.46Å; Y547-H639 VanDerWaalsContact OH-CG 3.32Å; Y547-H639 PolarHBondContact OH-ND1 3.47Å; Y547-H639 VanDerWaalsContact OH-ND1 3.12Å
548Q66.1Low61.7Low58 Ų5863.3 Ų63.327%0.27130%0.304SS..Hα-helixtrans-62.6-38.5-179-74.3-71.8800111.7Y544 F545 R552Y544-Q548 HydrophobicContact CE1-CG 4.14Å; Y544-Q548 HydrophobicContact CE2-CG 4.19Å; Y544-Q548 WeakPolarHBondContact O-CG 3.39Å; Y544-Q548 PolarHBondContact O-N 2.89Å; Y544-Q548 PolarHBondContact OH-NE2 3.22Å; Y544-Q548 VanDerWaalsContact OH-NE2 3.1Å; F545-Q548 PolarHBondContact O-N 3.45Å; Q548-R552 WeakPolarHBondContact O-CB 3.45Å; Q548-R552 PolarHBondContact O-N 2.97Å
549G64.7Low63.1Low32 Ų3259.9 Ų59.933%0.3329%0.287SS..Hα-helixtrans-62.3-52.8173.700000112.9F545 T546 Y547 R552 R553F545-G549 PolarHBondContact O-N 3.2Å; T546-G549 PolarHBondContact O-N 2.95Å; Y547-G549 VanDerWaalsContact C-N 3.3Å; Y547-G549 PolarHBondContact O-N 3.11Å; G549-R552 WeakPolarHBondContact O-CB 3.14Å; G549-R552 PolarHBondContact O-N 3.15Å; G549-R553 WeakPolarHBondContact O-CG 3.24Å; G549-R553 PolarHBondContact O-N 2.76Å
550W72.1Confident63.9Low6 Ų655.7 Ų55.72%0.02327%0.266CS..Hα-helixtrans-62.5-51.5179173.973.7000112.3T546 Y547 R552 R553 L554 L569 P628 C633 L636 I637T546-W550 WeakPolarHBondContact O-CB 3.16Å; T546-W550 PolarHBondContact O-N 3.3Å; Y547-W550 HydrophobicContact CD2-CE3 4.48Å; Y547-W550 PolarHBondContact O-N 2.91Å; W550-R552 VanDerWaalsContact C-N 3.25Å; W550-R552 PolarHBondContact O-N 3.07Å; W550-R553 PolarHBondContact O-N 2.96Å; W550-R553 VanDerWaalsContact O-N 3.09Å; W550-L554 HydrophobicContact CD2-CD1 4Å; W550-L554 HydrophobicContact CE3-CD1 4.19Å; W550-L554 HydrophobicContact CH2-CD1 3.73Å; W550-L554 HydrophobicContact CZ2-CD1 3.49Å; W550-L554 VanDerWaalsContact CZ2-CD1 3.49Å; W550-L554 HydrophobicContact CZ3-CD1 4.06Å; W550-L554 PolarHBondContact O-N 3.34Å; W550-L569 PolarHBondContact NE1-O 3.47Å; W550-P628 HydrophobicContact CB-CG 3.98Å; W550-P628 VanDerWaalsContact CD1-CD 3.43Å; W550-P628 HydrophobicContact CD2-CG 4.01Å; W550-P628 HydrophobicContact CE3-CG 4.41Å; W550-P628 VanDerWaalsContact CG-CD 3.5Å; W550-P628 HydrophobicContact CG-CG 3.82Å; W550-C633 HydrophobicContact CH2-CB 3.68Å; W550-C633 HydrophobicContact CZ2-CB 3.72Å; W550-C633 WeakPolarHBondContact CZ2-SG 3.41Å; W550-L636 HydrophobicContact CE3-CB 4.49Å; W550-L636 HydrophobicContact CZ3-CB 3.83Å; W550-I637 HydrophobicContact CH2-CB 4.31Å
551H72Confident65.3Low0 Ų049.9 Ų49.90%025%0.249CC..Hα-helixtrans-64.1-31.8178.4-170.4-35.3000111Y547 L554 R555 L647Y547-H551 HydrophobicContact CD2-CB 4.12Å; Y547-H551 HydrophobicContact CE2-CB 3.71Å; Y547-H551 AromaticContact CE2-CD2 3.61Å; Y547-H551 AromaticContact CZ-CD2 3.81Å; Y547-H551 WeakPolarHBondContact O-CB 3.24Å; Y547-H551 PolarHBondContact O-N 2.76Å; Y547-H551 PolarHBondContact OH-CD2 3.26Å; Y547-H551 VanDerWaalsContact OH-CD2 3.27Å; H551-L554 PolarHBondContact O-N 3.16Å; H551-R555 PolarHBondContact ND1-NH1 3.19Å; H551-R555 WeakPolarHBondContact O-CG 3.35Å; H551-R555 PolarHBondContact O-N 3.08Å; H551-L647 WeakPolarHBondContact CE1-CD2 3.46Å; H551-L647 VanDerWaalsContact CE1-CG 3.44Å; H551-L647 WeakPolarHBondContact CE1-CG 3.37Å
552R67.2Low66.3Low47 Ų4746.9 Ų46.918%0.17724%0.237CC..Hα-helixtrans-61.8-49.5170.2172.1-175161.8153.7-4.3111.8E436 T437 L438 Q548 G549 W550 L554 R555 V556E436-R552 PolarHBondContact O-NH2 3.14Å; T437-R552 VanDerWaalsContact CA-NH1 3.32Å; L438-R552 VanDerWaalsContact N-NH2 3.11Å; L438-R552 PolarHBondContact O-NH1 3.47Å; Q548-R552 WeakPolarHBondContact O-CB 3.45Å; Q548-R552 PolarHBondContact O-N 2.97Å; G549-R552 WeakPolarHBondContact O-CB 3.14Å; G549-R552 PolarHBondContact O-N 3.15Å; W550-R552 VanDerWaalsContact C-N 3.25Å; W550-R552 PolarHBondContact O-N 3.07Å; R552-L554 VanDerWaalsContact C-N 3.27Å; R552-L554 PolarHBondContact O-N 3.26Å; R552-R555 PolarHBondContact O-N 3.34Å; R552-R555 VanDerWaalsContact O-N 3.14Å; R552-V556 HydrophobicContact CG-CG2 4.47Å; R552-V556 WeakPolarHBondContact O-CG2 3.4Å; R552-V556 PolarHBondContact O-N 3.21Å
553R70.1Confident67.5Low129 Ų12943.4 Ų43.449%0.48722%0.218SC..Hα-helixtrans-58.8-41.3178.9-68176.575.2179.64.1110.7G549 W550 V556 A557 L569G549-R553 WeakPolarHBondContact O-CG 3.24Å; G549-R553 PolarHBondContact O-N 2.76Å; W550-R553 PolarHBondContact O-N 2.96Å; W550-R553 VanDerWaalsContact O-N 3.09Å; R553-V556 PolarHBondContact O-N 3.26Å; R553-A557 PolarHBondContact O-N 3.21Å; R553-L569 HydrophobicContact CB-CD1 3.63Å; R553-L569 HydrophobicContact CB-CD2 3.96Å; R553-L569 HydrophobicContact CB-CG 4.47Å
554L75.6Confident68.6Low0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-59.3-49.3171.4-73.3176.8000113.2W550 H551 R552 V556 A557 I558 L566 L569 L570 L647W550-L554 HydrophobicContact CD2-CD1 4Å; W550-L554 HydrophobicContact CE3-CD1 4.19Å; W550-L554 HydrophobicContact CH2-CD1 3.73Å; W550-L554 HydrophobicContact CZ2-CD1 3.49Å; W550-L554 VanDerWaalsContact CZ2-CD1 3.49Å; W550-L554 HydrophobicContact CZ3-CD1 4.06Å; W550-L554 PolarHBondContact O-N 3.34Å; H551-L554 PolarHBondContact O-N 3.16Å; R552-L554 VanDerWaalsContact C-N 3.27Å; R552-L554 PolarHBondContact O-N 3.26Å; L554-V556 PolarHBondContact O-N 3.31Å; L554-A557 PolarHBondContact O-N 2.92Å; L554-I558 WeakPolarHBondContact O-CB 2.91Å; L554-I558 VanDerWaalsContact O-CG1 3.25Å; L554-I558 WeakPolarHBondContact O-CG1 3.49Å; L554-I558 PolarHBondContact O-N 3.05Å; L554-L566 HydrophobicContact CD2-CD1 3.71Å; L554-L569 HydrophobicContact CD2-CB 3.56Å; L554-L569 HydrophobicContact CD2-CD1 4.48Å; L554-L569 HydrophobicContact CG-CB 4.28Å; L554-L570 HydrophobicContact CD1-CD2 4.31Å; L554-L570 HydrophobicContact CD2-CD2 3.7Å; L554-L570 HydrophobicContact CD2-CG 3.83Å; L554-L647 HydrophobicContact CB-CD2 4.13Å; L554-L647 HydrophobicContact CD1-CD1 4.06Å
555R74.3Confident69.6Low62 Ų6241.4 Ų41.423%0.23422%0.219CC..Hα-helixtrans-56.3-40.2176.7-74.5-177.8-58.8-110.213.3111.7H551 R552 A559 L641 L647H551-R555 PolarHBondContact ND1-NH1 3.19Å; H551-R555 WeakPolarHBondContact O-CG 3.35Å; H551-R555 PolarHBondContact O-N 3.08Å; R552-R555 PolarHBondContact O-N 3.34Å; R552-R555 VanDerWaalsContact O-N 3.14Å; R555-A559 VanDerWaalsContact O-CB 3.29Å; R555-A559 WeakPolarHBondContact O-CB 3.37Å; R555-A559 PolarHBondContact O-N 3.38Å; R555-L641 VanDerWaalsContact NH1-CD2 3.26Å; R555-L647 HydrophobicContact CG-CD2 4.1Å
556V66.4Low70.6Confident16 Ų1635.6 Ų35.610%0.09719%0.194CC..Hα-helixtrans-69.9-46.4-179.5166.40000111.6L430 S431 R552 R553 L554 I558 A559 S560L430-V556 WeakPolarHBondContact O-CG1 3.29Å; S431-V556 VanDerWaalsContact CA-CG1 3.46Å; S431-V556 VanDerWaalsContact CB-CG1 3.47Å; R552-V556 HydrophobicContact CG-CG2 4.47Å; R552-V556 WeakPolarHBondContact O-CG2 3.4Å; R552-V556 PolarHBondContact O-N 3.21Å; R553-V556 PolarHBondContact O-N 3.26Å; L554-V556 PolarHBondContact O-N 3.31Å; V556-I558 VanDerWaalsContact C-N 3.33Å; V556-I558 PolarHBondContact O-N 3.48Å; V556-A559 PolarHBondContact O-N 2.91Å; V556-A559 VanDerWaalsContact O-N 3.1Å; V556-S560 PolarHBondContact O-N 2.85Å; V556-S560 PolarHBondContact O-OG 2.95Å
557A70.4Confident71.6Confident1 Ų138 Ų381%0.00820%0.196CC..Hα-helixtrans-62.1-39.8175.400000112.2R553 L554 A559 S560 G561 D562 I565 L566 L569R553-A557 PolarHBondContact O-N 3.21Å; L554-A557 PolarHBondContact O-N 2.92Å; A557-A559 VanDerWaalsContact C-N 3.35Å; A557-A559 PolarHBondContact O-N 3.48Å; A557-S560 PolarHBondContact O-OG 3.25Å; A557-S560 VanDerWaalsContact O-OG 3.07Å; A557-G561 PolarHBondContact O-N 2.86Å; A557-D562 PolarHBondContact O-N 3.39Å; A557-I565 HydrophobicContact CB-CB 4.33Å; A557-I565 HydrophobicContact CB-CG2 3.99Å; A557-L566 HydrophobicContact CB-CB 4.03Å; A557-L566 HydrophobicContact CB-CD1 4.29Å; A557-L569 HydrophobicContact CB-CD1 4.31Å
558I75.2Confident72.4Confident0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-63-39.1172.1-70.3168.8000111.6L554 V556 L566 L647 V650 A651 Q655 L660 L664L554-I558 WeakPolarHBondContact O-CB 2.91Å; L554-I558 VanDerWaalsContact O-CG1 3.25Å; L554-I558 WeakPolarHBondContact O-CG1 3.49Å; L554-I558 PolarHBondContact O-N 3.05Å; V556-I558 VanDerWaalsContact C-N 3.33Å; V556-I558 PolarHBondContact O-N 3.48Å; I558-L566 HydrophobicContact CD1-CD1 4.45Å; I558-L566 HydrophobicContact CG1-CD1 3.89Å; I558-L566 HydrophobicContact CG1-CD2 4.09Å; I558-L647 HydrophobicContact CD1-CB 4.28Å; I558-L647 HydrophobicContact CD1-CD2 3.61Å; I558-L647 HydrophobicContact CD1-CG 4.47Å; I558-V650 HydrophobicContact CG2-CG1 4.18Å; I558-A651 VanDerWaalsContact CG2-CA 3.48Å; I558-A651 HydrophobicContact CG2-CB 3.62Å; I558-Q655 WeakPolarHBondContact O-CG 2.99Å; I558-Q655 PolarHBondContact O-NE2 3.46Å; I558-L660 HydrophobicContact CG1-CD2 4.43Å; I558-L660 HydrophobicContact CG2-CD2 4.28Å; I558-L664 HydrophobicContact CD1-CD1 3.89Å; I558-L664 HydrophobicContact CD1-CD2 3.91Å; I558-L664 HydrophobicContact CG1-CD1 4.25Å; I558-L664 HydrophobicContact CG1-CD2 4.49Å
559A67.9Low72.8Confident14 Ų1438.9 Ų38.912%0.11621%0.209CC..Hα-helixtrans-76.7-33-179.700000113.6W427 R555 V556 A557 Q655W427-A559 HydrophobicContact CD2-CB 4.17Å; W427-A559 HydrophobicContact CE3-CB 4.38Å; W427-A559 HydrophobicContact CG-CB 4.49Å; R555-A559 VanDerWaalsContact O-CB 3.29Å; R555-A559 WeakPolarHBondContact O-CB 3.37Å; R555-A559 PolarHBondContact O-N 3.38Å; V556-A559 PolarHBondContact O-N 2.91Å; V556-A559 VanDerWaalsContact O-N 3.1Å; A557-A559 VanDerWaalsContact C-N 3.35Å; A557-A559 PolarHBondContact O-N 3.48Å; A559-Q655 PolarHBondContact O-NE2 3.13Å
560S66Low73.4Confident19 Ų1937.7 Ų37.713%0.13320%0.195CC..Hα-helixtrans-73.1-36.917466.90000111.7V556 A557 D562V556-S560 PolarHBondContact O-N 2.85Å; V556-S560 PolarHBondContact O-OG 2.95Å; A557-S560 PolarHBondContact O-OG 3.25Å; A557-S560 VanDerWaalsContact O-OG 3.07Å; S560-D562 WeakPolarHBondContact OG-CB 3.32Å; S560-D562 PolarHBondContact OG-N 3.13Å
561G70Confident73Confident29 Ų2938.4 Ų38.430%0.29920%0.201SC..THydrogen-bonded Turntrans89.322.6-172.800000112.8A557 L563 Q655A557-G561 PolarHBondContact O-N 2.86Å; G561-L563 PolarHBondContact O-N 3.34Å; G561-Q655 VanDerWaalsContact N-NE2 3.11Å
562D73.5Confident72.2Confident57 Ų5743 Ų4331%0.30522%0.224SC..  trans-85.3102-179.3-164.9-47.8000110.9A557 S560 V564 I565 L566A557-D562 PolarHBondContact O-N 3.39Å; S560-D562 WeakPolarHBondContact OG-CB 3.32Å; S560-D562 PolarHBondContact OG-N 3.13Å; D562-V564 VanDerWaalsContact C-N 3.26Å; D562-V564 PolarHBondContact O-N 2.99Å; D562-V564 WeakPolarHBondContact OD1-CA 3.24Å; D562-V564 WeakPolarHBondContact OD1-CB 3.39Å; D562-V564 PolarHBondContact OD1-N 2.86Å; D562-I565 HydrophobicContact CB-CB 4.22Å; D562-I565 HydrophobicContact CB-CD1 4.23Å; D562-I565 HydrophobicContact CB-CG1 4.33Å; D562-I565 PolarHBondContact OD1-N 2.85Å; D562-L566 WeakPolarHBondContact O-CB 3.43Å; D562-L566 PolarHBondContact O-N 3.2Å
563L78.5Confident71.3Confident39 Ų3946.5 Ų46.520%0.20425%0.245CC..Hα-helixtrans-71.1-16.8178.2-69.4173.7000113.7G561 R567 E659 L660 L663G561-L563 PolarHBondContact O-N 3.34Å; L563-R567 WeakPolarHBondContact O-CB 3.37Å; L563-R567 WeakPolarHBondContact O-CD 3.5Å; L563-R567 WeakPolarHBondContact O-CG 3.48Å; L563-R567 PolarHBondContact O-N 3.36Å; L563-E659 HydrophobicContact CD1-CG 4.32Å; L563-L660 HydrophobicContact CD2-CB 3.85Å; L563-L660 HydrophobicContact CD2-CD1 4.15Å; L563-L660 HydrophobicContact CD2-CG 4.17Å; L563-L663 HydrophobicContact CD2-CD2 4.46Å
564V76.3Confident69.6Low112 Ų11247.7 Ų47.768%0.67926%0.26SS*.Hα-helixtrans-80.3-52.4178.2-175.20000108.9D562 L566 R567 S568D562-V564 VanDerWaalsContact C-N 3.26Å; D562-V564 PolarHBondContact O-N 2.99Å; D562-V564 WeakPolarHBondContact OD1-CA 3.24Å; D562-V564 WeakPolarHBondContact OD1-CB 3.39Å; D562-V564 PolarHBondContact OD1-N 2.86Å; V564-L566 VanDerWaalsContact C-N 3.3Å; V564-L566 PolarHBondContact O-N 3.03Å; V564-R567 PolarHBondContact O-N 3.22Å; V564-S568 PolarHBondContact O-N 2.98Å; V564-S568 VanDerWaalsContact O-N 3.13Å; V564-S568 PolarHBondContact O-OG 2.83Å
565I75.5Confident67.7Low55 Ų5552.5 Ų52.528%0.28229%0.293SS..Hα-helixtrans-63.7-37.2175.6-58.9175.3000110.5A557 D562 R567 S568 L569A557-I565 HydrophobicContact CB-CB 4.33Å; A557-I565 HydrophobicContact CB-CG2 3.99Å; D562-I565 HydrophobicContact CB-CB 4.22Å; D562-I565 HydrophobicContact CB-CD1 4.23Å; D562-I565 HydrophobicContact CB-CG1 4.33Å; D562-I565 PolarHBondContact OD1-N 2.85Å; I565-R567 PolarHBondContact O-N 2.77Å; I565-S568 PolarHBondContact O-N 3.07Å; I565-S568 PolarHBondContact O-OG 2.76Å; I565-L569 HydrophobicContact CG2-CD1 3.78Å; I565-L569 HydrophobicContact CG2-CG 4.46Å; I565-L569 WeakPolarHBondContact O-CD1 3.43Å; I565-L569 VanDerWaalsContact O-CG 3.24Å; I565-L569 WeakPolarHBondContact O-CG 3.24Å; I565-L569 PolarHBondContact O-N 3.31Å
566L78.9Confident65.7Low0 Ų054.8 Ų54.80%031%0.311CS..Hα-helixtrans-65.3-37.6176.4-174.656.9000112.3L554 A557 I558 D562 V564 L569 L570 L660 L663L554-L566 HydrophobicContact CD2-CD1 3.71Å; A557-L566 HydrophobicContact CB-CB 4.03Å; A557-L566 HydrophobicContact CB-CD1 4.29Å; I558-L566 HydrophobicContact CD1-CD1 4.45Å; I558-L566 HydrophobicContact CG1-CD1 3.89Å; I558-L566 HydrophobicContact CG1-CD2 4.09Å; D562-L566 WeakPolarHBondContact O-CB 3.43Å; D562-L566 PolarHBondContact O-N 3.2Å; V564-L566 VanDerWaalsContact C-N 3.3Å; V564-L566 PolarHBondContact O-N 3.03Å; L566-L569 PolarHBondContact O-N 2.87Å; L566-L570 HydrophobicContact CD1-CD1 3.76Å; L566-L570 HydrophobicContact CD1-CG 4.05Å; L566-L570 HydrophobicContact CD2-CD1 4.49Å; L566-L570 HydrophobicContact CG-CD1 3.73Å; L566-L570 HydrophobicContact CG-CG 4.42Å; L566-L570 WeakPolarHBondContact O-CB 3.38Å; L566-L570 VanDerWaalsContact O-CG 3.27Å; L566-L570 WeakPolarHBondContact O-CG 3.49Å; L566-L570 PolarHBondContact O-N 3.31Å; L566-L660 HydrophobicContact CD2-CD1 3.87Å; L566-L660 HydrophobicContact CD2-CD2 4.34Å; L566-L660 HydrophobicContact CD2-CG 3.68Å; L566-L663 HydrophobicContact CD2-CD2 4.13Å; L566-L663 HydrophobicContact CG-CD2 4.11Å
567R80Confident64.3Low112 Ų11259.6 Ų59.642%0.42334%0.335SS..Hα-helixtrans-71.7-32177.5-79.3174.8-179.6141.20.4113.7L563 V564 I565 L569 E659 L663L563-R567 WeakPolarHBondContact O-CB 3.37Å; L563-R567 WeakPolarHBondContact O-CD 3.5Å; L563-R567 WeakPolarHBondContact O-CG 3.48Å; L563-R567 PolarHBondContact O-N 3.36Å; V564-R567 PolarHBondContact O-N 3.22Å; I565-R567 PolarHBondContact O-N 2.77Å; R567-L569 VanDerWaalsContact C-N 3.3Å; R567-E659 IonicContact NH2-OE1 3.22Å; R567-L663 HydrophobicContact CG-CD1 4.36Å; R567-L663 HydrophobicContact CG-CD2 3.7Å
568S79.3Confident62.7Low82 Ų8265.4 Ų65.457%0.57337%0.37SS*.Hα-helixtrans-79-11.9176.261.10000114.1V564 I565V564-S568 PolarHBondContact O-N 2.98Å; V564-S568 VanDerWaalsContact O-N 3.13Å; V564-S568 PolarHBondContact O-OG 2.83Å; I565-S568 PolarHBondContact O-N 3.07Å; I565-S568 PolarHBondContact O-OG 2.76Å
569L75Confident60.7Low4 Ų472.4 Ų72.42%0.02140%0.403CS..Hα-helixtrans-100.7-19.8176-67.4170.2000113.8W550 R553 L554 A557 I565 L566 R567W550-L569 PolarHBondContact NE1-O 3.47Å; R553-L569 HydrophobicContact CB-CD1 3.63Å; R553-L569 HydrophobicContact CB-CD2 3.96Å; R553-L569 HydrophobicContact CB-CG 4.47Å; L554-L569 HydrophobicContact CD2-CB 3.56Å; L554-L569 HydrophobicContact CD2-CD1 4.48Å; L554-L569 HydrophobicContact CG-CB 4.28Å; A557-L569 HydrophobicContact CB-CD1 4.31Å; I565-L569 HydrophobicContact CG2-CD1 3.78Å; I565-L569 HydrophobicContact CG2-CG 4.46Å; I565-L569 WeakPolarHBondContact O-CD1 3.43Å; I565-L569 VanDerWaalsContact O-CG 3.24Å; I565-L569 WeakPolarHBondContact O-CG 3.24Å; I565-L569 PolarHBondContact O-N 3.31Å; L566-L569 PolarHBondContact O-N 2.87Å; R567-L569 VanDerWaalsContact C-N 3.3Å
570L77.1Confident59.2Low8 Ų875.6 Ų75.64%0.04242%0.417CS..SBendtrans-89.6143.8178-73170.5000111L554 L566 M572 I637 L663 L664 C667L554-L570 HydrophobicContact CD1-CD2 4.31Å; L554-L570 HydrophobicContact CD2-CD2 3.7Å; L554-L570 HydrophobicContact CD2-CG 3.83Å; L566-L570 HydrophobicContact CD1-CD1 3.76Å; L566-L570 HydrophobicContact CD1-CG 4.05Å; L566-L570 HydrophobicContact CD2-CD1 4.49Å; L566-L570 HydrophobicContact CG-CD1 3.73Å; L566-L570 HydrophobicContact CG-CG 4.42Å; L566-L570 WeakPolarHBondContact O-CB 3.38Å; L566-L570 VanDerWaalsContact O-CG 3.27Å; L566-L570 WeakPolarHBondContact O-CG 3.49Å; L566-L570 PolarHBondContact O-N 3.31Å; L570-M572 PolarHBondContact O-N 3.24Å; L570-I637 HydrophobicContact CD2-CD1 3.86Å; L570-L663 HydrophobicContact CD1-CD2 3.98Å; L570-L663 HydrophobicContact CD1-CG 3.89Å; L570-L664 HydrophobicContact CD1-CD2 4.2Å; L570-L664 HydrophobicContact CD2-CD2 4.44Å; L570-C667 HydrophobicContact CD1-CB 4.37Å; L570-C667 HydrophobicContact CD2-CB 4.11Å
571P63.9Low57.8Low21 Ų2181.4 Ų81.414%0.13645%0.446CS..  trans-71.7103.9176.5-10.926.8000110.2Y630 C633P571-Y630 HydrophobicContact CB-CD2 3.53Å; P571-Y630 HydrophobicContact CB-CE2 3.92Å; P571-C633 HydrophobicContact CG-CB 3.33Å
572M55.3Low56.1Low97 Ų9785.8 Ų85.848%0.47846%0.463SS..  trans-109.657.6-177.4-71.5-62.9-58.300111.3L570 I574 L663L570-M572 PolarHBondContact O-N 3.24Å; M572-I574 PolarHBondContact O-N 3.39Å; M572-L663 HydrophobicContact CE-CD1 4.43Å; M572-L663 HydrophobicContact SD-CD1 3.98Å
573D47.2Very low54.3Low119 Ų11987.5 Ų87.564%0.63647%0.472SS*.  trans-79.2113.4177.8-100.5-44.1000112.2S575 Y630D573-S575 PolarHBondContact O-N 2.9Å; D573-Y630 HydrophobicContact CB-CD2 4.34Å; D573-Y630 HydrophobicContact CB-CE2 4.25Å
574I35.9Very low52.2Low154 Ų15493 Ų9379%0.7950%0.502SS*.  trans-9094.7178.1-59.1164.2000107.9M572M572-I574 PolarHBondContact O-N 3.39Å
575S34.7Very low50.3Low101 Ų10194.9 Ų94.971%0.70650%0.503SS*.SBendtrans-178.6-48.6149.4-79.50000114.6D573D573-S575 PolarHBondContact O-N 2.9Å
576N32.5Very low48.3Very low111 Ų11198 Ų9859%0.59452%0.52SS*.  trans-106.334.5-152.1-69.6-6.9000117.1T578N576-T578 PolarHBondContact O-N 3.11Å
577I37.9Very low46.2Very low117 Ų117106.9 Ų106.960%0.656%0.561SS**THydrogen-bonded Turntrans-74.6-5.8-179-68.7177.6000113.2
578T36.2Very low44.1Very low123 Ų123110.6 Ų110.676%0.75558%0.583SS**THydrogen-bonded Turntrans-98.615.6-179.348.10000115.2N576N576-T578 PolarHBondContact O-N 3.11Å
579Q32.4Very low41.7Very low146 Ų146111.8 Ų111.868%0.68259%0.587SS**SBendtrans-135.717.3-179.3-70.5-171-25.900114.3
580I37.9Very low39.7Very low82 Ų82118 Ų11842%0.42163%0.625SS.*  trans-90.5-10.4-173.1-63.8178.2000112.7N582 L583I580-N582 PolarHBondContact O-N 2.92Å; I580-L583 HydrophobicContact CG2-CD1 4.47Å
581D35.5Very low37.5Very low140 Ų140125.6 Ų125.675%0.74966%0.66SS**G310 helixtrans-65.4-20.4-178.8-57.5-49.6000113.9L583D581-L583 PolarHBondContact O-N 3.35Å
582N34.2Very low36Very low122 Ų122131.5 Ų131.565%0.65269%0.691SS**G310 helixtrans-91.924.8-176.6-65.78.4000114.2I580I580-N582 PolarHBondContact O-N 2.92Å
583L36.6Very low35Very low93 Ų93132.1 Ų132.149%0.48770%0.704SS.*G310 helixtrans-105.23.3-179.9-83.8167.1000115I580 D581 L586I580-L583 HydrophobicContact CG2-CD1 4.47Å; D581-L583 PolarHBondContact O-N 3.35Å; L583-L586 HydrophobicContact CD2-CD1 4.5Å
584N34.8Very low34.3Very low155 Ų155133.5 Ų133.583%0.82972%0.717SS**SBendtrans-94.5-7.3174.9-68.4-22.7000114
585E35.2Very low34.1Very low151 Ų151129.7 Ų129.771%0.70672%0.717SS**SBendtrans-93.73.4-177.5-63-173.9134.400114
586L33.2Very low34.1Very low121 Ų121130.8 Ų130.863%0.63472%0.721SS**SBendtrans-107.510.7-171.2-82.7163.3000115.1L583L583-L586 HydrophobicContact CD2-CD1 4.5Å
587E35.8Very low34.1Very low185 Ų185133.7 Ų133.786%0.86474%0.736SS**SBendtrans-105.7-2.5172.1-67.5-169.3151.900113.9
588E34.7Very low33.7Very low190 Ų190134.9 Ų134.989%0.88874%0.743SS**SBendtrans-107.4-4.4179.3-69.1-163.213500115.5
589T30.4Very low33.5Very low107 Ų107135.7 Ų135.766%0.65675%0.748SS**  trans-11047-171.939.90000114.9
590V32.4Very low33.3Very low136 Ų136134.4 Ų134.482%0.82475%0.75SS**  trans-105.760168.5-168.40000110.7
591Q31.5Very low33.1Very low167 Ų167137.2 Ų137.278%0.7877%0.772SS**SBendtrans-155.1122169.3-111.3162.754.400111.8
592N31.2Very low32.9Very low144 Ų144136 Ų13677%0.7777%0.769SS**  trans80.6149163.7-50.4-39.6000120.7
593S35.8Very low33Very low110 Ų110134.9 Ų134.977%0.76978%0.777SS**  trans6877.7160.234.30000120.5
594T30.6Very low32.7Very low148 Ų148136 Ų13691%0.90879%0.788SS**  trans-4.7134131.553.30000119.5
595G33.1Very low32.9Very low75 Ų75134.9 Ų134.977%0.77379%0.787SS**  trans157110.7155.400000115.8
596P33.7Very low32.7Very low123 Ų123133.7 Ų133.780%0.79979%0.79SS**  trans-102.1142.4176.536.2-30.4000113.3
597L33.2Very low32.7Very low173 Ų173132 Ų13291%0.90679%0.789SS**  trans-156.1155.3155.2-141.774.9000112.6
598N29.2Very low32.7Very low141 Ų141130.5 Ų130.575%0.75478%0.784SS**  trans-91.9156.5-177.9-47.6-60.2000111.8
599T31.8Very low32.5Very low141 Ų141128.5 Ų128.587%0.86578%0.778SS**  -173.9149107.927.20000114.8
600T28.6Very low32.8Very low118 Ų118130.2 Ų130.272%0.72479%0.789SS**  trans-54.2151.4171.1-43.40000115.5T602T600-T602 HydrophobicContact CG2-CG2 4.45Å
601T34.5Very low32.7Very low142 Ų142127.9 Ų127.987%0.87178%0.783SS**  trans-159.2152.6135-75.80000110.7
602T30.1Very low32.8Very low114 Ų114126.9 Ų126.970%0.69979%0.789SS**  trans-118.4145-164.552.20000115.1T600T600-T602 HydrophobicContact CG2-CG2 4.45Å
603A36.3Very low32.7Very low99 Ų99127.3 Ų127.382%0.81879%0.791SS**  trans-167.4127.5144.300000108.3
604T31.2Very low32.7Very low117 Ų117129.1 Ų129.172%0.71880%0.798SS**  cis95.993.127-550000114.6
605T37.6Very low32.8Very low131 Ų131127.4 Ų127.480%0.80479%0.792SS**  trans-173.8127.7137.727.70000108.1
606T31.9Very low32.8Very low126 Ų126129.7 Ų129.777%0.77379%0.793SS**  85.4125.353.9-62.70000111.8
607S33.4Very low32.6Very low86 Ų86130.5 Ų130.560%0.60180%0.796SS**  cis-170.3-171.2-9.1-1690000111.2
608M35.3Very low32.2Very low153 Ų153131 Ų13175%0.75479%0.794SS**  trans77.1112.6171.4-52.9-61.4159.700115.8
609L31.8Very low32Very low148 Ų148130 Ų13078%0.77580%0.797SS**  70.5136.751.5-55.3174.7000112.1
610T35.4Very low31.6Very low143 Ų143130.2 Ų130.288%0.87780%0.798SS**  cis-131.8175.737.850.50000115.4
611A29.7Very low31.7Very low86 Ų86129.6 Ų129.671%0.71180%0.798SS**  trans-137.9161.2-179.100000112.1
612T34.4Very low31.5Very low146 Ų146129.3 Ų129.390%0.89680%0.799SS**  trans-131.5125.6160.940.90000109.4
613N29.7Very low31.5Very low154 Ų154127.9 Ų127.982%0.82481%0.807SS**  trans-95133.2179.5-74.2-19.2000111
614T35.2Very low31.3Very low148 Ų148128.6 Ų128.691%0.90881%0.806SS**  trans-126.7142.5145.639.90000108.2
615S32Very low31.8Very low112 Ų112128.2 Ų128.278%0.78381%0.808SS**  trans-115.8179.2-166.878.20000110.6
616P34.3Very low32.7Very low123 Ų123126.4 Ų126.480%0.79980%0.797SS**  -110.7156.3-117.829.2-11.8000114.5
617T29.2Very low34.1Very low140 Ų140123.9 Ų123.986%0.85978%0.781SS**  trans-132.1136.1170-360000109.9
618E25.3Very low35.4Very low184 Ų184120.3 Ų120.386%0.8676%0.756SS**  trans-79.2129.1-170.7-59.2168.8120.400112.4
619C25.1Very low36.7Very low120 Ų120117.5 Ų117.581%0.81175%0.749SS**  trans-14481.8171.3-94.30000110.4S621C619-S621 PolarHBondContact O-N 3.15Å
620T23.5Very low38.3Very low145 Ų145114.2 Ų114.289%0.8973%0.727SS**  trans-63.2116.3-176-50.40000112.3
621S30.2Very low39.6Very low104 Ų104116.6 Ų116.673%0.72772%0.72SS**  trans-143120.6173.149.90000111.8C619C619-S621 PolarHBondContact O-N 3.15Å
622P29.1Very low41.3Very low136 Ų136114.6 Ų114.688%0.88370%0.698SS**  trans-89.7106.3-179.132.7-31.3000111.3
623G31.4Very low42.8Very low85 Ų85107.7 Ų107.788%0.87666%0.656SS**  trans-170.913.3-179.900000117.7
624S32.4Very low44.6Very low113 Ų113103.4 Ų103.479%0.7963%0.633SS**  trans-117.8150.5-173.5-166.70000113.4
625S40.4Very low46.1Very low110 Ų110104.8 Ų104.877%0.76963%0.627SS**  trans58.592.4169.2-166.60000118.4
626T55.9Low47.9Very low92 Ų92101 Ų10156%0.56460%0.597SS**  trans-140.848167.749.70000113.3
627V61.6Low49.9Very low73 Ų7395.2 Ų95.244%0.44256%0.559SS.*PPolyproline II helixtrans-85.9123162.7-179.40000107.8
628P61.4Low52.2Low12 Ų1290.1 Ų90.18%0.07853%0.527CS..PPolyproline II helixtrans-62.9155.4178.8-18.729.3000112T546 W550 V632 C633T546-P628 HydrophobicContact CG2-CG 4.3Å; W550-P628 HydrophobicContact CB-CG 3.98Å; W550-P628 VanDerWaalsContact CD1-CD 3.43Å; W550-P628 HydrophobicContact CD2-CG 4.01Å; W550-P628 HydrophobicContact CE3-CG 4.41Å; W550-P628 VanDerWaalsContact CG-CD 3.5Å; W550-P628 HydrophobicContact CG-CG 3.82Å; P628-V632 HydrophobicContact CB-CB 4.28Å; P628-V632 HydrophobicContact CB-CG1 3.96Å; P628-C633 PolarHBondContact O-SG 3.44Å
629P62.7Low54.5Low93 Ų9385.5 Ų85.560%0.60451%0.505SS*.PPolyproline II helixtrans-52.7145.9177-26.834.8000112.7R631 V632 C633P629-R631 VanDerWaalsContact C-N 3.31Å; P629-R631 PolarHBondContact O-N 3.33Å; P629-R631 VanDerWaalsContact O-N 3.13Å; P629-V632 HydrophobicContact CB-CB 4.47Å; P629-V632 HydrophobicContact CB-CG2 4.19Å; P629-V632 HydrophobicContact CG-CG2 4.37Å; P629-V632 WeakPolarHBondContact O-CA 3.2Å; P629-V632 VanDerWaalsContact O-CB 3.32Å; P629-V632 WeakPolarHBondContact O-CB 3.37Å; P629-V632 PolarHBondContact O-N 3.32Å; P629-C633 PolarHBondContact O-N 2.9Å
630Y65Low56.8Low80 Ų8083 Ų8331%0.31449%0.488SS..Hα-helixtrans-47.1-48.4-174.1179.8-89.9000113.9P571 D573 V632 C633 L634P571-Y630 HydrophobicContact CB-CD2 3.53Å; P571-Y630 HydrophobicContact CB-CE2 3.92Å; D573-Y630 HydrophobicContact CB-CD2 4.34Å; D573-Y630 HydrophobicContact CB-CE2 4.25Å; Y630-V632 VanDerWaalsContact C-N 3.28Å; Y630-V632 PolarHBondContact O-N 3.34Å; Y630-C633 PolarHBondContact O-N 3.36Å; Y630-L634 HydrophobicContact CD1-CD1 4.02Å; Y630-L634 HydrophobicContact CD1-CG 4.49Å; Y630-L634 HydrophobicContact CE1-CD1 3.36Å; Y630-L634 HydrophobicContact CE1-CG 4.1Å; Y630-L634 PolarHBondContact O-N 3.28Å
631R62.7Low59.1Low192 Ų19277.2 Ų77.273%0.72545%0.451SS*.Hα-helixtrans-61.5-33.2177.6-66.5-176.4175.9-167.2-2.7113.3P629P629-R631 VanDerWaalsContact C-N 3.31Å; P629-R631 PolarHBondContact O-N 3.33Å; P629-R631 VanDerWaalsContact O-N 3.13Å
632V64.8Low60.6Low44 Ų4478.3 Ų78.327%0.26745%0.454SS..Hα-helixtrans-75.3-45.6177.81770000109.6L543 P628 P629 Y630 L634 K635 L636L543-V632 HydrophobicContact CD2-CG1 4.36Å; P628-V632 HydrophobicContact CB-CB 4.28Å; P628-V632 HydrophobicContact CB-CG1 3.96Å; P629-V632 HydrophobicContact CB-CB 4.47Å; P629-V632 HydrophobicContact CB-CG2 4.19Å; P629-V632 HydrophobicContact CG-CG2 4.37Å; P629-V632 WeakPolarHBondContact O-CA 3.2Å; P629-V632 VanDerWaalsContact O-CB 3.32Å; P629-V632 WeakPolarHBondContact O-CB 3.37Å; P629-V632 PolarHBondContact O-N 3.32Å; Y630-V632 VanDerWaalsContact C-N 3.28Å; Y630-V632 PolarHBondContact O-N 3.34Å; V632-L634 VanDerWaalsContact C-N 3.35Å; V632-L634 PolarHBondContact O-N 2.93Å; V632-K635 PolarHBondContact O-N 3.06Å; V632-L636 HydrophobicContact CG1-CD1 3.47Å; V632-L636 VanDerWaalsContact CG1-CD1 3.47Å; V632-L636 HydrophobicContact CG1-CG 4.33Å; V632-L636 WeakPolarHBondContact O-CB 3.41Å; V632-L636 VanDerWaalsContact O-CG 3.23Å; V632-L636 WeakPolarHBondContact O-CG 3.48Å; V632-L636 PolarHBondContact O-N 3.01Å; V632-L636 VanDerWaalsContact O-N 3.1Å
633C67.4Low62.3Low1 Ų174.2 Ų74.21%0.00742%0.424CS..Hα-helixtrans-55.9-44.4174.8-74.40000113.1W550 P571 P628 P629 Y630 K635 L636 I637W550-C633 HydrophobicContact CH2-CB 3.68Å; W550-C633 HydrophobicContact CZ2-CB 3.72Å; W550-C633 WeakPolarHBondContact CZ2-SG 3.41Å; P571-C633 HydrophobicContact CG-CB 3.33Å; P628-C633 PolarHBondContact O-SG 3.44Å; P629-C633 PolarHBondContact O-N 2.9Å; Y630-C633 PolarHBondContact O-N 3.36Å; C633-K635 PolarHBondContact O-N 3.32Å; C633-L636 PolarHBondContact O-N 3.28Å; C633-L636 VanDerWaalsContact O-N 3.15Å; C633-I637 WeakPolarHBondContact O-CB 3.44Å; C633-I637 PolarHBondContact O-N 2.95Å
634L66.8Low64.2Low65 Ų6571.5 Ų71.534%0.3440%0.396SS..Hα-helixtrans-62.4-39.4178.7-74.9-178000113.4Y630 V632 L636Y630-L634 HydrophobicContact CD1-CD1 4.02Å; Y630-L634 HydrophobicContact CD1-CG 4.49Å; Y630-L634 HydrophobicContact CE1-CD1 3.36Å; Y630-L634 HydrophobicContact CE1-CG 4.1Å; Y630-L634 PolarHBondContact O-N 3.28Å; V632-L634 VanDerWaalsContact C-N 3.35Å; V632-L634 PolarHBondContact O-N 2.93Å; L634-L636 VanDerWaalsContact C-N 3.3Å; L634-L636 PolarHBondContact O-N 3.2Å
635K65.7Low66.3Low177 Ų17768.8 Ų68.877%0.7737%0.368SS*.Hα-helixtrans-67-33174.5-70.7-169.1175.6-167.90111.8V632 C633V632-K635 PolarHBondContact O-N 3.06Å; C633-K635 PolarHBondContact O-N 3.32Å
636L70.8Confident68.4Low31 Ų3165.5 Ų65.516%0.16234%0.339CS..Hα-helixtrans-90.8-21.9-172.4-66.5174.9000115Y547 W550 V632 C633 L634 N638 H639Y547-L636 HydrophobicContact CD1-CD2 4.36Å; Y547-L636 HydrophobicContact CD2-CB 3.67Å; Y547-L636 HydrophobicContact CD2-CD1 3.64Å; Y547-L636 HydrophobicContact CD2-CD2 3.63Å; Y547-L636 HydrophobicContact CD2-CG 3.83Å; Y547-L636 HydrophobicContact CE2-CB 3.73Å; Y547-L636 HydrophobicContact CE2-CD2 3.92Å; Y547-L636 HydrophobicContact CE2-CG 4.25Å; Y547-L636 HydrophobicContact CG-CD1 4.02Å; Y547-L636 HydrophobicContact CG-CD2 3.86Å; Y547-L636 HydrophobicContact CG-CG 4.39Å; W550-L636 HydrophobicContact CE3-CB 4.49Å; W550-L636 HydrophobicContact CZ3-CB 3.83Å; V632-L636 HydrophobicContact CG1-CD1 3.47Å; V632-L636 VanDerWaalsContact CG1-CD1 3.47Å; V632-L636 HydrophobicContact CG1-CG 4.33Å; V632-L636 WeakPolarHBondContact O-CB 3.41Å; V632-L636 VanDerWaalsContact O-CG 3.23Å; V632-L636 WeakPolarHBondContact O-CG 3.48Å; V632-L636 PolarHBondContact O-N 3.01Å; V632-L636 VanDerWaalsContact O-N 3.1Å; C633-L636 PolarHBondContact O-N 3.28Å; C633-L636 VanDerWaalsContact O-N 3.15Å; L634-L636 VanDerWaalsContact C-N 3.3Å; L634-L636 PolarHBondContact O-N 3.2Å; L636-N638 PolarHBondContact O-N 2.99Å; L636-H639 WeakPolarHBondContact O-CB 3.23Å; L636-H639 PolarHBondContact O-N 3.06Å
637I76.9Confident69.7Low2 Ų261.1 Ų61.11%0.0131%0.313CS..THydrogen-bonded Turntrans-65.9-25.2-177.7-154.7174.1000113.3W550 L570 C633 L647 C667 C669W550-I637 HydrophobicContact CH2-CB 4.31Å; L570-I637 HydrophobicContact CD2-CD1 3.86Å; C633-I637 WeakPolarHBondContact O-CB 3.44Å; C633-I637 PolarHBondContact O-N 2.95Å; I637-L647 HydrophobicContact CG1-CD1 3.58Å; I637-L647 WeakPolarHBondContact O-CD1 3.37Å; I637-C667 HydrophobicContact CD1-CB 4.2Å; I637-C667 WeakPolarHBondContact CD1-O 3.37Å; I637-C669 VanDerWaalsContact CD1-SG 3.51Å
638N77.2Confident71Confident34 Ų3457.8 Ų57.818%0.18229%0.292CS..THydrogen-bonded Turntrans-103.21.9-179.4-75.4-53.2000113.8L636 R646 G668 D670L636-N638 PolarHBondContact O-N 2.99Å; N638-R646 PolarHBondContact O-NE 3.03Å; N638-R646 PolarHBondContact O-NH2 2.93Å; N638-R646 VanDerWaalsContact O-NH2 3.09Å; N638-G668 PolarHBondContact ND2-O 2.89Å; N638-D670 PolarHBondContact OD1-N 2.85Å
639H73.4Confident72.2Confident86 Ų8657.2 Ų57.240%0.39829%0.288SS..PPolyproline II helixtrans-66.9141.1-180-173.6-69.9000111.1Y547 L636Y547-H639 HydrophobicContact CE2-CB 4.45Å; Y547-H639 AromaticContact CZ-CG 3.86Å; Y547-H639 AromaticContact CZ-ND1 3.86Å; Y547-H639 WeakPolarHBondContact OH-CB 3.46Å; Y547-H639 VanDerWaalsContact OH-CG 3.32Å; Y547-H639 PolarHBondContact OH-ND1 3.47Å; Y547-H639 VanDerWaalsContact OH-ND1 3.12Å; L636-H639 WeakPolarHBondContact O-CB 3.23Å; L636-H639 PolarHBondContact O-N 3.06Å
640P72.8Confident73.1Confident69 Ų6953.4 Ų53.445%0.44826%0.263SS..PPolyproline II helixtrans-67.3152.7179.327.9-35.9000113.1
641L72Confident74Confident22 Ų2249.6 Ų49.612%0.11525%0.248CC..PPolyproline II helixtrans-88171.5169.6-64.7173.2000111.4R555 D643 G644 R645 V650R555-L641 VanDerWaalsContact NH1-CD2 3.26Å; L641-D643 WeakPolarHBondContact CB-OD1 3.35Å; L641-D643 PolarHBondContact O-N 3.47Å; L641-G644 WeakPolarHBondContact O-CA 3.46Å; L641-G644 PolarHBondContact O-N 2.93Å; L641-R645 WeakPolarHBondContact CB-O 3.38Å; L641-R645 HydrophobicContact CD1-CB 4.29Å; L641-R645 WeakPolarHBondContact CG-O 3.46Å; L641-R645 PolarHBondContact N-O 3.19Å; L641-V650 HydrophobicContact CD1-CG2 3.65Å
642T62.6Low75.1Confident128 Ų12840.4 Ų40.479%0.78521%0.214SC*.THydrogen-bonded Turntrans-62.6-11.2178.155.80000114.6R13R13-T642 PolarHBondContact NH2-OG1 3.46Å
643D63.6Low75.8Confident50 Ų5041.4 Ų41.427%0.26722%0.215SC..THydrogen-bonded Turntrans-108.219.5171.758-32.5000113.1R13 L641 R645R13-D643 IonicContact CZ-OD1 2.68Å; R13-D643 IonicContact CZ-OD2 3.56Å; R13-D643 IonicContact NH1-OD1 2.63Å; R13-D643 PolarHBondContact NH1-OD1 3.29Å; R13-D643 IonicContact NH1-OD2 3.86Å; R13-D643 PolarHBondContact NH1-OD2 2.95Å; R13-D643 IonicContact NH2-OD1 3.8Å; R13-D643 PolarHBondContact NH2-OD1 2.87Å; R13-D643 IonicContact NH2-OD2 2.68Å; L641-D643 WeakPolarHBondContact CB-OD1 3.35Å; L641-D643 PolarHBondContact O-N 3.47Å; D643-R645 PolarHBondContact O-N 2.86Å; D643-R645 VanDerWaalsContact OD2-CD 3.24Å; D643-R645 WeakPolarHBondContact OD2-CD 3.31Å; D643-R645 IonicContact OD2-CZ 3.98Å; D643-R645 IonicContact OD2-NE 3.29Å
644G72.2Confident76.2Confident27 Ų2745.6 Ų45.628%0.27823%0.234SC..SBendtrans68.8-4.3-178.400000115.1L641L641-G644 WeakPolarHBondContact O-CA 3.46Å; L641-G644 PolarHBondContact O-N 2.93Å
645R76.7Confident76.7Confident56 Ų5643.7 Ų43.721%0.21122%0.223CC..  trans-75.7166.4-178.4-65.1-172.6-170.1173.53.3111.8L641 D643 H649 E653 D675L641-R645 WeakPolarHBondContact CB-O 3.38Å; L641-R645 HydrophobicContact CD1-CB 4.29Å; L641-R645 WeakPolarHBondContact CG-O 3.46Å; L641-R645 PolarHBondContact N-O 3.19Å; D643-R645 PolarHBondContact O-N 2.86Å; D643-R645 VanDerWaalsContact OD2-CD 3.24Å; D643-R645 WeakPolarHBondContact OD2-CD 3.31Å; D643-R645 IonicContact OD2-CZ 3.98Å; D643-R645 IonicContact OD2-NE 3.29Å; R645-H649 HydrophobicContact CB-CB 4Å; R645-H649 HydrophobicContact CG-CB 4.32Å; R645-E653 IonicContact CZ-OE1 2.66Å; R645-E653 IonicContact CZ-OE2 3.68Å; R645-E653 IonicContact NH1-OE1 3Å; R645-E653 PolarHBondContact NH1-OE1 3.25Å; R645-E653 IonicContact NH1-OE2 3Å; R645-E653 PolarHBondContact NH1-OE2 2.72Å; R645-D675 HydrophobicContact CG-CB 4.04Å
646R83.8Confident77.4Confident41 Ų4139.2 Ų39.216%0.15521%0.214CC..  trans-121.2168.1175.4-68.7-178162-156.8-5.3110.8N638 L648 H649 V650 D670 V673N638-R646 PolarHBondContact O-NE 3.03Å; N638-R646 PolarHBondContact O-NH2 2.93Å; N638-R646 VanDerWaalsContact O-NH2 3.09Å; R646-L648 VanDerWaalsContact C-N 3.26Å; R646-L648 PolarHBondContact O-N 2.9Å; R646-H649 PolarHBondContact N-ND1 2.92Å; R646-H649 WeakPolarHBondContact O-CB 3.5Å; R646-H649 PolarHBondContact O-N 3.01Å; R646-V650 PolarHBondContact O-N 3.14Å; R646-D670 IonicContact NH1-OD2 3.99Å; R646-D670 PolarHBondContact NH1-OD2 2.83Å; R646-V673 VanDerWaalsContact CZ-CB 3.4Å
647L84.1Confident78Confident1 Ų140.4 Ų40.41%0.00522%0.221CC..Hα-helixtrans-49.9-42.7176.5-75.8171.1000113.3H551 L554 R555 I558 I637 H649 V650 A651H551-L647 WeakPolarHBondContact CE1-CD2 3.46Å; H551-L647 VanDerWaalsContact CE1-CG 3.44Å; H551-L647 WeakPolarHBondContact CE1-CG 3.37Å; L554-L647 HydrophobicContact CB-CD2 4.13Å; L554-L647 HydrophobicContact CD1-CD1 4.06Å; R555-L647 HydrophobicContact CG-CD2 4.1Å; I558-L647 HydrophobicContact CD1-CB 4.28Å; I558-L647 HydrophobicContact CD1-CD2 3.61Å; I558-L647 HydrophobicContact CD1-CG 4.47Å; I637-L647 HydrophobicContact CG1-CD1 3.58Å; I637-L647 WeakPolarHBondContact O-CD1 3.37Å; L647-H649 PolarHBondContact O-N 3.21Å; L647-V650 PolarHBondContact O-N 2.8Å; L647-A651 WeakPolarHBondContact O-CB 3.29Å; L647-A651 PolarHBondContact O-N 3.06Å
648L88.1Confident78.4Confident2 Ų242.9 Ų42.91%0.0124%0.237CC..Hα-helixtrans-62.7-37.2175.4-79.9171.7000113.5R646 A651 V652 L664 L665 C669 P671 P681 F697R646-L648 VanDerWaalsContact C-N 3.26Å; R646-L648 PolarHBondContact O-N 2.9Å; L648-A651 PolarHBondContact O-N 3.21Å; L648-V652 VanDerWaalsContact O-CB 3.31Å; L648-V652 WeakPolarHBondContact O-CB 3.46Å; L648-V652 WeakPolarHBondContact O-CG2 3.19Å; L648-V652 PolarHBondContact O-N 3.25Å; L648-L664 HydrophobicContact CD2-CB 3.96Å; L648-L664 HydrophobicContact CD2-CD1 4.42Å; L648-L665 HydrophobicContact CD1-CD2 3.99Å; L648-L665 HydrophobicContact CD2-CD2 4.36Å; L648-L665 HydrophobicContact CD2-CG 4.34Å; L648-C669 HydrophobicContact CD1-CB 3.62Å; L648-C669 WeakPolarHBondContact CD1-O 3.15Å; L648-C669 HydrophobicContact CD2-CB 4.27Å; L648-C669 HydrophobicContact CG-CB 3.62Å; L648-P671 HydrophobicContact CD1-CB 4.27Å; L648-P681 HydrophobicContact CB-CB 3.98Å; L648-P681 HydrophobicContact CB-CG 3.82Å; L648-P681 HydrophobicContact CD1-CG 4.43Å; L648-F697 HydrophobicContact CD2-CE1 4.43Å
649H86.3Confident78.9Confident0 Ų043.9 Ų43.90%024%0.24CC..Hα-helixtrans-63.9-45.2176-67.6103.7000110.9R645 R646 L647 A651 V652 E653 V673 D675 I679 P681 L684R645-H649 HydrophobicContact CB-CB 4Å; R645-H649 HydrophobicContact CG-CB 4.32Å; R646-H649 PolarHBondContact N-ND1 2.92Å; R646-H649 WeakPolarHBondContact O-CB 3.5Å; R646-H649 PolarHBondContact O-N 3.01Å; L647-H649 PolarHBondContact O-N 3.21Å; H649-A651 PolarHBondContact O-N 3.43Å; H649-V652 PolarHBondContact O-N 2.77Å; H649-E653 VanDerWaalsContact O-CB 3.28Å; H649-E653 WeakPolarHBondContact O-CB 3.31Å; H649-E653 PolarHBondContact O-N 2.86Å; H649-V673 PolarHBondContact CE1-O 2.85Å; H649-D675 PolarHBondContact CE1-N 3.1Å; H649-I679 PolarHBondContact NE2-O 2.68Å; H649-P681 VanDerWaalsContact NE2-CD 3.3Å; H649-P681 WeakPolarHBondContact NE2-CD 3.31Å; H649-L684 HydrophobicContact CB-CD2 4.16Å
650V81.5Confident79.5Confident13 Ų1339.8 Ų39.88%0.07922%0.221CC..Hα-helixtrans-61-44.8175.8178.70000110.9I558 L641 R646 L647 E653 F654I558-V650 HydrophobicContact CG2-CG1 4.18Å; L641-V650 HydrophobicContact CD1-CG2 3.65Å; R646-V650 PolarHBondContact O-N 3.14Å; L647-V650 PolarHBondContact O-N 2.8Å; V650-E653 PolarHBondContact O-N 2.65Å; V650-F654 HydrophobicContact CG1-CD2 3.76Å; V650-F654 HydrophobicContact CG1-CE2 4.08Å; V650-F654 VanDerWaalsContact O-CD2 3.29Å; V650-F654 WeakPolarHBondContact O-CD2 3.16Å; V650-F654 PolarHBondContact O-N 3.43Å
651A85.3Confident80.3Confident0 Ų036.5 Ų36.50%020%0.2CC..Hα-helixtrans-63.5-45.9177.600000112.3I558 L647 L648 H649 E653 Q655 L660 I661 L664I558-A651 VanDerWaalsContact CG2-CA 3.48Å; I558-A651 HydrophobicContact CG2-CB 3.62Å; L647-A651 WeakPolarHBondContact O-CB 3.29Å; L647-A651 PolarHBondContact O-N 3.06Å; L648-A651 PolarHBondContact O-N 3.21Å; H649-A651 PolarHBondContact O-N 3.43Å; A651-E653 VanDerWaalsContact C-N 3.28Å; A651-E653 PolarHBondContact O-N 2.72Å; A651-Q655 WeakPolarHBondContact O-CB 3.36Å; A651-Q655 PolarHBondContact O-N 3.06Å; A651-L660 HydrophobicContact CB-CD2 3.85Å; A651-I661 HydrophobicContact CB-CD1 3.54Å; A651-L664 HydrophobicContact CB-CD1 3.48Å; A651-L664 VanDerWaalsContact CB-CD1 3.48Å
652V85.9Confident81.1Confident0 Ų040.2 Ų40.20%021%0.213CC..Hα-helixtrans-62.4-34.1175.2169.30000111.9L648 H649 I661 P681 L684 A685 L688 K690 I693 F697L648-V652 VanDerWaalsContact O-CB 3.31Å; L648-V652 WeakPolarHBondContact O-CB 3.46Å; L648-V652 WeakPolarHBondContact O-CG2 3.19Å; L648-V652 PolarHBondContact O-N 3.25Å; H649-V652 PolarHBondContact O-N 2.77Å; V652-I661 HydrophobicContact CG2-CD1 4.25Å; V652-P681 HydrophobicContact CG2-CB 4.24Å; V652-L684 HydrophobicContact CB-CD2 4.24Å; V652-L684 HydrophobicContact CG1-CB 4.04Å; V652-L684 HydrophobicContact CG1-CD2 3.94Å; V652-L684 HydrophobicContact CG1-CG 3.87Å; V652-A685 HydrophobicContact CG1-CB 3.69Å; V652-L688 HydrophobicContact CG1-CD1 4.49Å; V652-K690 WeakPolarHBondContact O-CD 3.29Å; V652-K690 WeakPolarHBondContact O-CE 3.49Å; V652-K690 PolarHBondContact O-NZ 2.88Å; V652-I693 HydrophobicContact CG2-CG2 3.96Å; V652-F697 HydrophobicContact CG2-CE2 3.98Å; V652-F697 HydrophobicContact CG2-CZ 3.86Å
653E79.7Confident82.3Confident64 Ų6434.3 Ų34.330%0.29918%0.176SC..Hα-helixtrans-72.7-51.8179.1-174.9170.2-146.400112.4R645 H649 V650 A651 K690R645-E653 IonicContact CZ-OE1 2.66Å; R645-E653 IonicContact CZ-OE2 3.68Å; R645-E653 IonicContact NH1-OE1 3Å; R645-E653 PolarHBondContact NH1-OE1 3.25Å; R645-E653 IonicContact NH1-OE2 3Å; R645-E653 PolarHBondContact NH1-OE2 2.72Å; H649-E653 VanDerWaalsContact O-CB 3.28Å; H649-E653 WeakPolarHBondContact O-CB 3.31Å; H649-E653 PolarHBondContact O-N 2.86Å; V650-E653 PolarHBondContact O-N 2.65Å; A651-E653 VanDerWaalsContact C-N 3.28Å; A651-E653 PolarHBondContact O-N 2.72Å; E653-K690 VanDerWaalsContact C-NZ 3.34Å; E653-K690 PolarHBondContact O-NZ 3.07Å
654F75.8Confident83.4Confident90 Ų9031.9 Ų31.940%0.39516%0.163SC..Hα-helixtrans-89.1-35.9-173-66-70.5000114.4V650V650-F654 HydrophobicContact CG1-CD2 3.76Å; V650-F654 HydrophobicContact CG1-CE2 4.08Å; V650-F654 VanDerWaalsContact O-CD2 3.29Å; V650-F654 WeakPolarHBondContact O-CD2 3.16Å; V650-F654 PolarHBondContact O-N 3.43Å
655Q77.4Confident84.2Confident24 Ų2430.7 Ų30.711%0.11215%0.15CC..  trans-91.2164.8-171.5-68.9-60.6-19.600115I558 A559 G561 A651 L660 K690 I693I558-Q655 WeakPolarHBondContact O-CG 2.99Å; I558-Q655 PolarHBondContact O-NE2 3.46Å; A559-Q655 PolarHBondContact O-NE2 3.13Å; G561-Q655 VanDerWaalsContact N-NE2 3.11Å; A651-Q655 WeakPolarHBondContact O-CB 3.36Å; A651-Q655 PolarHBondContact O-N 3.06Å; Q655-L660 HydrophobicContact CB-CD2 4.46Å; Q655-L660 HydrophobicContact CG-CD1 4.04Å; Q655-L660 HydrophobicContact CG-CD2 4.11Å; Q655-K690 PolarHBondContact O-NZ 3.02Å; Q655-I693 WeakPolarHBondContact O-CD1 3.41Å
656S80.1Confident84.6Confident84 Ų8430.7 Ų30.759%0.58715%0.153SC*.  trans-129.4-9.2173.8-610000113.2
657D82.7Confident84.6Confident55 Ų5529.3 Ų29.329%0.29415%0.149SC..  trans-77.6126.2177.8178.314.2000110.7E659D657-E659 PolarHBondContact OD1-N 3.38Å
658P86.3Confident84.4Confident54 Ų5429.9 Ų29.935%0.35116%0.155SC..Hα-helixtrans-66.4-29.9173.227.8-36.6000114.5I661 R662 V696P658-I661 PolarHBondContact O-N 3.07Å; P658-R662 PolarHBondContact O-N 3.13Å; P658-V696 HydrophobicContact CB-CG2 3.31Å
659E85.9Confident84.3Confident55 Ų5529.8 Ų29.826%0.25716%0.155SC..Hα-helixtrans-70.7-38-171.9-179.563-179.100112L563 R567 D657 I661 R662 L663L563-E659 HydrophobicContact CD1-CG 4.32Å; R567-E659 IonicContact NH2-OE1 3.22Å; D657-E659 PolarHBondContact OD1-N 3.38Å; E659-I661 VanDerWaalsContact C-N 3.26Å; E659-I661 PolarHBondContact O-N 3.23Å; E659-R662 WeakPolarHBondContact O-CB 3.48Å; E659-R662 PolarHBondContact O-N 3.5Å; E659-R662 VanDerWaalsContact O-N 3.15Å; E659-R662 IonicContact OE1-CZ 2.75Å; E659-R662 IonicContact OE1-NE 2.79Å; E659-R662 IonicContact OE1-NH2 2.78Å; E659-R662 PolarHBondContact OE1-NH2 3.1Å; E659-R662 IonicContact OE2-CZ 3.66Å; E659-R662 IonicContact OE2-NE 2.74Å; E659-R662 PolarHBondContact OE2-NE 2.96Å; E659-R662 IonicContact OE2-NH2 2.59Å; E659-R662 PolarHBondContact OE2-NH2 3.44Å; E659-L663 PolarHBondContact O-N 3.15Å
660L87Confident84.3Confident0 Ų031.3 Ų31.30%016%0.163CC..Hα-helixtrans-59.1-37173.3-169.8144.4000112.6I558 L563 L566 A651 Q655 L664I558-L660 HydrophobicContact CG1-CD2 4.43Å; I558-L660 HydrophobicContact CG2-CD2 4.28Å; L563-L660 HydrophobicContact CD2-CB 3.85Å; L563-L660 HydrophobicContact CD2-CD1 4.15Å; L563-L660 HydrophobicContact CD2-CG 4.17Å; L566-L660 HydrophobicContact CD2-CD1 3.87Å; L566-L660 HydrophobicContact CD2-CD2 4.34Å; L566-L660 HydrophobicContact CD2-CG 3.68Å; A651-L660 HydrophobicContact CB-CD2 3.85Å; Q655-L660 HydrophobicContact CB-CD2 4.46Å; Q655-L660 HydrophobicContact CG-CD1 4.04Å; Q655-L660 HydrophobicContact CG-CD2 4.11Å; L660-L664 HydrophobicContact CD2-CD1 3.88Å; L660-L664 WeakPolarHBondContact O-CG 3.38Å; L660-L664 PolarHBondContact O-N 3.25Å
661I89.5Confident84.8Confident0 Ų030.7 Ų30.70%016%0.16CC..Hα-helixtrans-73.1-37.1176.8-56.2-65.1000111A651 V652 P658 E659 L665 I693 V696 F697A651-I661 HydrophobicContact CB-CD1 3.54Å; V652-I661 HydrophobicContact CG2-CD1 4.25Å; P658-I661 PolarHBondContact O-N 3.07Å; E659-I661 VanDerWaalsContact C-N 3.26Å; E659-I661 PolarHBondContact O-N 3.23Å; I661-L665 HydrophobicContact CG2-CD1 4.17Å; I661-L665 WeakPolarHBondContact O-CG 3.45Å; I661-L665 PolarHBondContact O-N 3.1Å; I661-I693 HydrophobicContact CD1-CD1 4.39Å; I661-I693 HydrophobicContact CD1-CG2 4.37Å; I661-I693 HydrophobicContact CG1-CD1 4.08Å; I661-I693 HydrophobicContact CG1-CG1 4.08Å; I661-I693 HydrophobicContact CG1-CG2 4.02Å; I661-I693 HydrophobicContact CG2-CG2 4.39Å; I661-V696 HydrophobicContact CB-CG1 4.25Å; I661-V696 HydrophobicContact CG2-CB 4.33Å; I661-V696 HydrophobicContact CG2-CG1 4Å; I661-F697 HydrophobicContact CG2-CE1 4.37Å; I661-F697 HydrophobicContact CG2-CE2 4.33Å; I661-F697 HydrophobicContact CG2-CZ 4.05Å
662R88.3Confident84.9Confident100 Ų10031 Ų3138%0.37716%0.162SC..Hα-helixtrans-61.1-50.7174.3-173.2178.975.5950.7110.7P658 E659 L664 L665 E666 V696P658-R662 PolarHBondContact O-N 3.13Å; E659-R662 WeakPolarHBondContact O-CB 3.48Å; E659-R662 PolarHBondContact O-N 3.5Å; E659-R662 VanDerWaalsContact O-N 3.15Å; E659-R662 IonicContact OE1-CZ 2.75Å; E659-R662 IonicContact OE1-NE 2.79Å; E659-R662 IonicContact OE1-NH2 2.78Å; E659-R662 PolarHBondContact OE1-NH2 3.1Å; E659-R662 IonicContact OE2-CZ 3.66Å; E659-R662 IonicContact OE2-NE 2.74Å; E659-R662 PolarHBondContact OE2-NE 2.96Å; E659-R662 IonicContact OE2-NH2 2.59Å; E659-R662 PolarHBondContact OE2-NH2 3.44Å; R662-L664 VanDerWaalsContact C-N 3.34Å; R662-L664 PolarHBondContact O-N 3.21Å; R662-L665 PolarHBondContact O-N 2.68Å; R662-L665 VanDerWaalsContact O-N 3.14Å; R662-E666 WeakPolarHBondContact CD-OE1 3.46Å; R662-E666 HydrophobicContact CG-CG 4.43Å; R662-E666 WeakPolarHBondContact CG-OE1 3.25Å; R662-E666 IonicContact CZ-OE1 2.68Å; R662-E666 IonicContact CZ-OE2 3.43Å; R662-E666 IonicContact NE-OE1 3.74Å; R662-E666 IonicContact NH1-OE1 3.69Å; R662-E666 PolarHBondContact NH1-OE1 2.88Å; R662-E666 IonicContact NH1-OE2 2.9Å; R662-E666 PolarHBondContact NH1-OE2 3.13Å; R662-E666 WeakPolarHBondContact O-CG 3.27Å; R662-E666 PolarHBondContact O-N 3.18Å; R662-V696 HydrophobicContact CB-CG1 4.26Å
663L87.3Confident84.9Confident4 Ų432.9 Ų32.92%0.02117%0.173CC..Hα-helixtrans-55.5-44.8178.8-177.764.5000112.5L563 L566 R567 L570 M572 E659 L665 E666 C667L563-L663 HydrophobicContact CD2-CD2 4.46Å; L566-L663 HydrophobicContact CD2-CD2 4.13Å; L566-L663 HydrophobicContact CG-CD2 4.11Å; R567-L663 HydrophobicContact CG-CD1 4.36Å; R567-L663 HydrophobicContact CG-CD2 3.7Å; L570-L663 HydrophobicContact CD1-CD2 3.98Å; L570-L663 HydrophobicContact CD1-CG 3.89Å; M572-L663 HydrophobicContact CE-CD1 4.43Å; M572-L663 HydrophobicContact SD-CD1 3.98Å; E659-L663 PolarHBondContact O-N 3.15Å; L663-L665 PolarHBondContact O-N 2.95Å; L663-E666 PolarHBondContact O-N 3Å; L663-C667 PolarHBondContact O-N 3.35Å; L663-C667 PolarHBondContact O-SG 2.8Å
664L87.3Confident85.3Confident0 Ų032 Ų320%018%0.175CC..Hα-helixtrans-64-39.7178-70.6171.8000113I558 L570 L648 A651 L660 R662 E666 C667 C669I558-L664 HydrophobicContact CD1-CD1 3.89Å; I558-L664 HydrophobicContact CD1-CD2 3.91Å; I558-L664 HydrophobicContact CG1-CD1 4.25Å; I558-L664 HydrophobicContact CG1-CD2 4.49Å; L570-L664 HydrophobicContact CD1-CD2 4.2Å; L570-L664 HydrophobicContact CD2-CD2 4.44Å; L648-L664 HydrophobicContact CD2-CB 3.96Å; L648-L664 HydrophobicContact CD2-CD1 4.42Å; A651-L664 HydrophobicContact CB-CD1 3.48Å; A651-L664 VanDerWaalsContact CB-CD1 3.48Å; L660-L664 HydrophobicContact CD2-CD1 3.88Å; L660-L664 WeakPolarHBondContact O-CG 3.38Å; L660-L664 PolarHBondContact O-N 3.25Å; R662-L664 VanDerWaalsContact C-N 3.34Å; R662-L664 PolarHBondContact O-N 3.21Å; L664-E666 VanDerWaalsContact C-N 3.31Å; L664-C667 PolarHBondContact O-N 3.15Å; L664-C669 HydrophobicContact CB-CB 4.36Å; L664-C669 WeakPolarHBondContact O-CB 3.18Å; L664-C669 PolarHBondContact O-N 2.9Å; L664-C669 PolarHBondContact O-SG 2.68Å
665L88.9Confident85.7Confident1 Ų128.2 Ų28.21%0.00516%0.158CC..Hα-helixtrans-67.2-32.3174.7-69.7165.5000112.1L648 I661 R662 L663 P671 V696 F697 F700 Y708L648-L665 HydrophobicContact CD1-CD2 3.99Å; L648-L665 HydrophobicContact CD2-CD2 4.36Å; L648-L665 HydrophobicContact CD2-CG 4.34Å; I661-L665 HydrophobicContact CG2-CD1 4.17Å; I661-L665 WeakPolarHBondContact O-CG 3.45Å; I661-L665 PolarHBondContact O-N 3.1Å; R662-L665 PolarHBondContact O-N 2.68Å; R662-L665 VanDerWaalsContact O-N 3.14Å; L663-L665 PolarHBondContact O-N 2.95Å; L665-P671 HydrophobicContact CD2-CB 4.17Å; L665-P671 HydrophobicContact CD2-CG 4.06Å; L665-V696 HydrophobicContact CD1-CG1 4.34Å; L665-F697 HydrophobicContact CD1-CD1 3.92Å; L665-F697 HydrophobicContact CD1-CE1 4.13Å; L665-F697 HydrophobicContact CD2-CD1 4.23Å; L665-F697 HydrophobicContact CD2-CE1 4.09Å; L665-F700 HydrophobicContact CB-CD1 4.35Å; L665-F700 HydrophobicContact CB-CD2 3.75Å; L665-F700 HydrophobicContact CB-CE1 4.23Å; L665-F700 HydrophobicContact CB-CE2 3.59Å; L665-F700 HydrophobicContact CB-CG 4.13Å; L665-F700 HydrophobicContact CB-CZ 3.83Å; L665-F700 HydrophobicContact CD1-CB 4.03Å; L665-F700 HydrophobicContact CD1-CD1 4.45Å; L665-F700 HydrophobicContact CD1-CD2 4.1Å; L665-F700 HydrophobicContact CD1-CG 3.92Å; L665-Y708 HydrophobicContact CD2-CE2 4.28Å; L665-Y708 PolarHBondContact O-OH 2.86Å
666E86.5Confident85.8Confident57 Ų5730.3 Ų30.327%0.26619%0.186SC..Hα-helixtrans-72.4-35.8176.7-71.7173-179.100112.1R662 L663 L664 G668 F700 R707R662-E666 WeakPolarHBondContact CD-OE1 3.46Å; R662-E666 HydrophobicContact CG-CG 4.43Å; R662-E666 WeakPolarHBondContact CG-OE1 3.25Å; R662-E666 IonicContact CZ-OE1 2.68Å; R662-E666 IonicContact CZ-OE2 3.43Å; R662-E666 IonicContact NE-OE1 3.74Å; R662-E666 IonicContact NH1-OE1 3.69Å; R662-E666 PolarHBondContact NH1-OE1 2.88Å; R662-E666 IonicContact NH1-OE2 2.9Å; R662-E666 PolarHBondContact NH1-OE2 3.13Å; R662-E666 WeakPolarHBondContact O-CG 3.27Å; R662-E666 PolarHBondContact O-N 3.18Å; L663-E666 PolarHBondContact O-N 3Å; L664-E666 VanDerWaalsContact C-N 3.31Å; E666-G668 PolarHBondContact O-N 3.39Å; E666-F700 HydrophobicContact CG-CE2 3.8Å; E666-R707 PolarHBondContact O-NH1 2.91Å; E666-R707 PolarHBondContact O-NH2 3.35Å
667C81.8Confident85.8Confident11 Ų1131.7 Ų31.77%0.07419%0.187CC..THydrogen-bonded Turntrans-80.611.2175.3-61.30000114.9L570 I637 L663 L664L570-C667 HydrophobicContact CD1-CB 4.37Å; L570-C667 HydrophobicContact CD2-CB 4.11Å; I637-C667 HydrophobicContact CD1-CB 4.2Å; I637-C667 WeakPolarHBondContact CD1-O 3.37Å; L663-C667 PolarHBondContact O-N 3.35Å; L663-C667 PolarHBondContact O-SG 2.8Å; L664-C667 PolarHBondContact O-N 3.15Å
668G81.8Confident86Confident13 Ų1330.8 Ų30.813%0.13419%0.191CC..THydrogen-bonded Turntrans93.412.6172.800000116.2N638 E666 D670 Y708N638-G668 PolarHBondContact ND2-O 2.89Å; E666-G668 PolarHBondContact O-N 3.39Å; G668-D670 PolarHBondContact O-N 2.95Å; G668-Y708 VanDerWaalsContact CA-OH 3.26Å; G668-Y708 WeakPolarHBondContact CA-OH 3.44Å
669C85.3Confident86Confident1 Ų129.6 Ų29.61%0.00718%0.181CC..  trans-70.4118.3171.9-58.90000110.4I637 L648 L664 P671 Y708I637-C669 VanDerWaalsContact CD1-SG 3.51Å; L648-C669 HydrophobicContact CD1-CB 3.62Å; L648-C669 WeakPolarHBondContact CD1-O 3.15Å; L648-C669 HydrophobicContact CD2-CB 4.27Å; L648-C669 HydrophobicContact CG-CB 3.62Å; L664-C669 HydrophobicContact CB-CB 4.36Å; L664-C669 WeakPolarHBondContact O-CB 3.18Å; L664-C669 PolarHBondContact O-N 2.9Å; L664-C669 PolarHBondContact O-SG 2.68Å; C669-P671 WeakPolarHBondContact O-CD 3.46Å; C669-Y708 PolarHBondContact O-OH 3.38Å
670D86.8Confident86.3Confident31 Ų3127.1 Ų27.117%0.16617%0.17CC..  trans-81.4120.1-176.2167.633.1000111.8N638 R646 G668 A672 V673 Y708N638-D670 PolarHBondContact OD1-N 2.85Å; R646-D670 IonicContact NH1-OD2 3.99Å; R646-D670 PolarHBondContact NH1-OD2 2.83Å; G668-D670 PolarHBondContact O-N 2.95Å; D670-A672 VanDerWaalsContact C-N 3.33Å; D670-A672 WeakPolarHBondContact OD1-CB 3.39Å; D670-A672 PolarHBondContact OD1-N 3.41Å; D670-V673 WeakPolarHBondContact OD2-CG2 3.15Å; D670-Y708 HydrophobicContact CB-CD1 4.22Å; D670-Y708 HydrophobicContact CB-CE1 4.16Å
671P90.7Very high86.4Confident1 Ų127.1 Ų27.11%0.00617%0.17CC..THydrogen-bonded Turntrans-80.4-6.8176.735.5-36.7000114.2L648 L665 C669 P681 F697 Y708 A713 I715L648-P671 HydrophobicContact CD1-CB 4.27Å; L665-P671 HydrophobicContact CD2-CB 4.17Å; L665-P671 HydrophobicContact CD2-CG 4.06Å; C669-P671 WeakPolarHBondContact O-CD 3.46Å; P671-P681 WeakPolarHBondContact O-CD 3.45Å; P671-F697 HydrophobicContact CB-CD1 4.14Å; P671-F697 HydrophobicContact CB-CE1 4.03Å; P671-Y708 HydrophobicContact CG-CD2 3.9Å; P671-Y708 HydrophobicContact CG-CG 4.06Å; P671-A713 WeakPolarHBondContact O-CB 3.44Å; P671-I715 HydrophobicContact CB-CD1 4.06Å; P671-I715 HydrophobicContact CG-CD1 4.19Å
672A88.2Confident86.5Confident5 Ų528.6 Ų28.64%0.04118%0.175CC..THydrogen-bonded Turntrans-75.6-24.1-175.600000114.3D670 D709 K712 A713D670-A672 VanDerWaalsContact C-N 3.33Å; D670-A672 WeakPolarHBondContact OD1-CB 3.39Å; D670-A672 PolarHBondContact OD1-N 3.41Å; A672-D709 HydrophobicContact CB-CB 4.08Å; A672-D709 WeakPolarHBondContact CB-O 3.26Å; A672-K712 HydrophobicContact CB-CB 4.41Å; A672-K712 HydrophobicContact CB-CD 4.29Å; A672-K712 HydrophobicContact CB-CG 4.37Å; A672-A713 HydrophobicContact CB-CB 4.28Å
673V86.3Confident86.7Confident41 Ų4127 Ų2725%0.24817%0.172CC..  trans-96133.3-175.9179.10000112R646 H649 D670R646-V673 VanDerWaalsContact CZ-CB 3.4Å; H649-V673 PolarHBondContact CE1-O 2.85Å; D670-V673 WeakPolarHBondContact OD2-CG2 3.15Å
674S87.3Confident86.8Confident46 Ų4627.1 Ų27.132%0.32217%0.173SC..  trans-76.9166.7177.850.80000114.4I679S674-I679 CarbonylContact C-O 3.26Å; S674-I679 WeakPolarHBondContact CA-O 3.49Å; S674-I679 WeakPolarHBondContact CB-O 3.26Å
675D84.4Confident86.9Confident9 Ų927.1 Ų27.15%0.04817%0.173CC..  trans-73.2-178.2157.961.820.2000112.2R645 H649 D677 G678 I679R645-D675 HydrophobicContact CG-CB 4.04Å; H649-D675 PolarHBondContact CE1-N 3.1Å; D675-D677 PolarHBondContact O-N 2.92Å; D675-D677 WeakPolarHBondContact OD1-CA 3.23Å; D675-D677 WeakPolarHBondContact OD1-CB 3.41Å; D675-D677 PolarHBondContact OD1-N 3.35Å; D675-G678 PolarHBondContact O-N 3.1Å; D675-G678 PolarHBondContact OD1-N 3.13Å; D675-I679 PolarHBondContact N-O 2.98Å; D675-I679 WeakPolarHBondContact OD1-CB 3.36Å; D675-I679 PolarHBondContact OD1-N 3.38Å
676G79.5Confident86.9Confident68 Ų6830.3 Ų30.370%0.70119%0.192SC*.THydrogen-bonded Turntrans-65.7-13.8177.100000115G678G676-G678 VanDerWaalsContact C-N 3.29Å
677D80.4Confident87Confident114 Ų11433.8 Ų33.861%0.6120%0.203SC*.THydrogen-bonded Turntrans-86.30172.2-64-25.8000111.6D675 I679D675-D677 PolarHBondContact O-N 2.92Å; D675-D677 WeakPolarHBondContact OD1-CA 3.23Å; D675-D677 WeakPolarHBondContact OD1-CB 3.41Å; D675-D677 PolarHBondContact OD1-N 3.35Å; D677-I679 VanDerWaalsContact C-N 3.34Å; D677-I679 HydrophobicContact CB-CD1 3.82Å; D677-I679 HydrophobicContact CB-CG1 3.94Å
678G85.6Confident87.2Confident36 Ų3636.9 Ų36.937%0.37122%0.218SC..SBendtrans77.516.1-176.300000114.5D675 G676D675-G678 PolarHBondContact O-N 3.1Å; D675-G678 PolarHBondContact OD1-N 3.13Å; G676-G678 VanDerWaalsContact C-N 3.29Å
679I87.2Confident87.3Confident29 Ų2943.3 Ų43.315%0.14925%0.245CC..  trans-99.5126.7-175.2-55.6176.7000109.6H649 S674 D675 D677 Q683 L684 R687H649-I679 PolarHBondContact NE2-O 2.68Å; S674-I679 CarbonylContact C-O 3.26Å; S674-I679 WeakPolarHBondContact CA-O 3.49Å; S674-I679 WeakPolarHBondContact CB-O 3.26Å; D675-I679 PolarHBondContact N-O 2.98Å; D675-I679 WeakPolarHBondContact OD1-CB 3.36Å; D675-I679 PolarHBondContact OD1-N 3.38Å; D677-I679 VanDerWaalsContact C-N 3.34Å; D677-I679 HydrophobicContact CB-CD1 3.82Å; D677-I679 HydrophobicContact CB-CG1 3.94Å; I679-Q683 HydrophobicContact CG2-CB 3.64Å; I679-L684 HydrophobicContact CG2-CB 4.24Å; I679-R687 VanDerWaalsContact CD1-NH1 3.26Å
680T91.5Very high87.4Confident2 Ų245.1 Ų45.11%0.01225%0.252CS..  trans-79.8161.5175.174.80000112.3Y682 Q683 L684 A713T680-Y682 PolarHBondContact O-N 3.15Å; T680-Y682 VanDerWaalsContact O-N 3.13Å; T680-Q683 WeakPolarHBondContact O-CB 3.24Å; T680-Q683 PolarHBondContact O-N 2.92Å; T680-Q683 WeakPolarHBondContact OG1-CG 3.46Å; T680-Q683 PolarHBondContact OG1-N 3.11Å; T680-L684 PolarHBondContact O-N 3.14Å; T680-A713 PolarHBondContact OG1-O 3.33Å
681P90.4Very high87.3Confident0 Ų051.6 Ų51.60%028%0.279CS..Hα-helixtrans-56.6-32.4177.2-25.834.7000113.4L648 H649 V652 P671 A685 F697L648-P681 HydrophobicContact CB-CB 3.98Å; L648-P681 HydrophobicContact CB-CG 3.82Å; L648-P681 HydrophobicContact CD1-CG 4.43Å; H649-P681 VanDerWaalsContact NE2-CD 3.3Å; H649-P681 WeakPolarHBondContact NE2-CD 3.31Å; V652-P681 HydrophobicContact CG2-CB 4.24Å; P671-P681 WeakPolarHBondContact O-CD 3.45Å; P681-A685 WeakPolarHBondContact O-CB 3.49Å; P681-A685 PolarHBondContact O-N 2.75Å; P681-F697 HydrophobicContact CB-CE1 4.31Å; P681-F697 HydrophobicContact CB-CZ 3.84Å
682Y91.5Very high87.2Confident32 Ų3254.5 Ų54.513%0.12530%0.299CS..Hα-helixtrans-69.5-42.5174.6179-98000112.7T680 L684 A685 T686 A694 F697 R698 K714 I715 P716T680-Y682 PolarHBondContact O-N 3.15Å; T680-Y682 VanDerWaalsContact O-N 3.13Å; Y682-L684 VanDerWaalsContact C-N 3.33Å; Y682-A685 PolarHBondContact O-N 2.91Å; Y682-T686 PolarHBondContact O-N 3.23Å; Y682-T686 PolarHBondContact O-OG1 3.19Å; Y682-A694 HydrophobicContact CE2-CB 3.96Å; Y682-A694 WeakPolarHBondContact CE2-O 3.44Å; Y682-F697 HydrophobicContact CD2-CB 3.95Å; Y682-F697 AromaticContact CD2-CD2 3.97Å; Y682-F697 HydrophobicContact CD2-CD2 3.97Å; Y682-F697 HydrophobicContact CD2-CG 4.21Å; Y682-R698 HydrophobicContact CE2-CG 4.34Å; Y682-K714 VanDerWaalsContact CD1-O 3.3Å; Y682-K714 WeakPolarHBondContact CD1-O 3.33Å; Y682-I715 HydrophobicContact CD1-CG1 4.34Å; Y682-I715 HydrophobicContact CD2-CG1 4.09Å; Y682-I715 HydrophobicContact CG-CG1 3.76Å; Y682-P716 HydrophobicContact CE1-CG 4.02Å; Y682-P716 WeakPolarHBondContact OH-CD 3.29Å
683Q91.8Very high87.2Confident66 Ų6654.2 Ų54.231%0.30830%0.297SS..Hα-helixtrans-64.2-39.5173.9-67.7-179-69.300111.1I679 T680 T686 R687 K714I679-Q683 HydrophobicContact CG2-CB 3.64Å; T680-Q683 WeakPolarHBondContact O-CB 3.24Å; T680-Q683 PolarHBondContact O-N 2.92Å; T680-Q683 WeakPolarHBondContact OG1-CG 3.46Å; T680-Q683 PolarHBondContact OG1-N 3.11Å; Q683-T686 WeakPolarHBondContact O-CB 3.34Å; Q683-T686 PolarHBondContact O-N 3.16Å; Q683-R687 WeakPolarHBondContact O-CB 3.42Å; Q683-R687 PolarHBondContact O-N 2.78Å; Q683-K714 HydrophobicContact CG-CD 4.49Å
684L88.4Confident87.4Confident6 Ų652.7 Ų52.73%0.03129%0.289CS..Hα-helixtrans-61.9-45174.4-174.266.5000111.6H649 V652 I679 T680 Y682 T686 R687 L688H649-L684 HydrophobicContact CB-CD2 4.16Å; V652-L684 HydrophobicContact CB-CD2 4.24Å; V652-L684 HydrophobicContact CG1-CB 4.04Å; V652-L684 HydrophobicContact CG1-CD2 3.94Å; V652-L684 HydrophobicContact CG1-CG 3.87Å; I679-L684 HydrophobicContact CG2-CB 4.24Å; T680-L684 PolarHBondContact O-N 3.14Å; Y682-L684 VanDerWaalsContact C-N 3.33Å; L684-T686 PolarHBondContact O-N 3.16Å; L684-R687 PolarHBondContact O-N 2.77Å; L684-L688 HydrophobicContact CD1-CD1 4.24Å; L684-L688 HydrophobicContact CD1-CG 4.37Å; L684-L688 HydrophobicContact CG-CD1 4.07Å; L684-L688 WeakPolarHBondContact O-CB 3.14Å; L684-L688 WeakPolarHBondContact O-CG 3.36Å; L684-L688 PolarHBondContact O-N 3.06Å
685A89.9Confident87.5Confident0 Ų052.8 Ų52.80%029%0.286CS..Hα-helixtrans-60.4-36.5175.900000112V652 P681 Y682 H689 K690 I693 A694 F697V652-A685 HydrophobicContact CG1-CB 3.69Å; P681-A685 WeakPolarHBondContact O-CB 3.49Å; P681-A685 PolarHBondContact O-N 2.75Å; Y682-A685 PolarHBondContact O-N 2.91Å; A685-H689 PolarHBondContact O-N 3.07Å; A685-H689 VanDerWaalsContact O-N 3.15Å; A685-K690 PolarHBondContact O-N 2.82Å; A685-I693 HydrophobicContact CB-CG2 3.96Å; A685-A694 HydrophobicContact CB-CB 4.37Å; A685-F697 HydrophobicContact CB-CE2 4.39Å
686T89.4Confident87.8Confident68 Ų6852.8 Ų52.842%0.41729%0.286SS..Hα-helixtrans-71.1-44176.4-57.90000111.9Y682 Q683 L684 L688 H689Y682-T686 PolarHBondContact O-N 3.23Å; Y682-T686 PolarHBondContact O-OG1 3.19Å; Q683-T686 WeakPolarHBondContact O-CB 3.34Å; Q683-T686 PolarHBondContact O-N 3.16Å; L684-T686 PolarHBondContact O-N 3.16Å; T686-L688 VanDerWaalsContact C-N 3.34Å; T686-L688 PolarHBondContact O-N 3.29Å; T686-H689 WeakPolarHBondContact O-CA 3.39Å; T686-H689 PolarHBondContact O-N 3.47Å; T686-H689 PolarHBondContact O-ND1 3.47Å
687R88.8Confident88.3Confident131 Ų13149.6 Ų49.649%0.49425%0.253SS..Hα-helixtrans-60.4-40.6174.6-176.6167.871164.6-5.4111.9I679 Q683 L684 H689I679-R687 VanDerWaalsContact CD1-NH1 3.26Å; Q683-R687 WeakPolarHBondContact O-CB 3.42Å; Q683-R687 PolarHBondContact O-N 2.78Å; L684-R687 PolarHBondContact O-N 2.77Å; R687-H689 PolarHBondContact O-N 3.05Å
688L85.5Confident88.8Confident75 Ų7547.1 Ų47.139%0.39324%0.235SC..THydrogen-bonded Turntrans-80.92.5174.2-62.2177.4000113.8V652 L684 T686 K690V652-L688 HydrophobicContact CG1-CD1 4.49Å; L684-L688 HydrophobicContact CD1-CD1 4.24Å; L684-L688 HydrophobicContact CD1-CG 4.37Å; L684-L688 HydrophobicContact CG-CD1 4.07Å; L684-L688 WeakPolarHBondContact O-CB 3.14Å; L684-L688 WeakPolarHBondContact O-CG 3.36Å; L684-L688 PolarHBondContact O-N 3.06Å; T686-L688 VanDerWaalsContact C-N 3.34Å; T686-L688 PolarHBondContact O-N 3.29Å; L688-K690 HydrophobicContact CB-CD 4.43Å; L688-K690 HydrophobicContact CB-CG 4.08Å; L688-K690 PolarHBondContact O-N 3.1Å; L688-K690 VanDerWaalsContact O-N 3.12Å
689H84.5Confident88.9Confident148 Ų14849.9 Ų49.969%0.68523%0.234SC*.THydrogen-bonded Turntrans56.322.2-179.3-56.3-21.2000115.4A685 T686 R687 K691A685-H689 PolarHBondContact O-N 3.07Å; A685-H689 VanDerWaalsContact O-N 3.15Å; T686-H689 WeakPolarHBondContact O-CA 3.39Å; T686-H689 PolarHBondContact O-N 3.47Å; T686-H689 PolarHBondContact O-ND1 3.47Å; R687-H689 PolarHBondContact O-N 3.05Å; H689-K691 VanDerWaalsContact C-N 3.29Å; H689-K691 PolarHBondContact O-N 2.74Å
690K86.4Confident89Confident39 Ų3949 Ų4917%0.1723%0.229CC..  trans-79.371.9-178.7-64.1-170.1-175178.10111.4V652 E653 Q655 A685 L688 S692 I693 A694V652-K690 WeakPolarHBondContact O-CD 3.29Å; V652-K690 WeakPolarHBondContact O-CE 3.49Å; V652-K690 PolarHBondContact O-NZ 2.88Å; E653-K690 VanDerWaalsContact C-NZ 3.34Å; E653-K690 PolarHBondContact O-NZ 3.07Å; Q655-K690 PolarHBondContact O-NZ 3.02Å; A685-K690 PolarHBondContact O-N 2.82Å; L688-K690 HydrophobicContact CB-CD 4.43Å; L688-K690 HydrophobicContact CB-CG 4.08Å; L688-K690 PolarHBondContact O-N 3.1Å; L688-K690 VanDerWaalsContact O-N 3.12Å; K690-S692 PolarHBondContact O-N 3.2Å; K690-S692 VanDerWaalsContact O-N 3.17Å; K690-I693 HydrophobicContact CB-CB 4.23Å; K690-I693 HydrophobicContact CB-CD1 4.46Å; K690-I693 HydrophobicContact CD-CD1 3.96Å; K690-I693 PolarHBondContact O-N 3.2Å; K690-I693 VanDerWaalsContact O-N 3.1Å; K690-A694 PolarHBondContact O-N 3.39Å
691K86Confident88.9Confident167 Ų16751 Ų5173%0.72624%0.237SC*.Hα-helixtrans-57.4-29.5-175.4-64.2-170179.5-171.50114.7H689 N695H689-K691 VanDerWaalsContact C-N 3.29Å; H689-K691 PolarHBondContact O-N 2.74Å; K691-N695 WeakPolarHBondContact O-CB 3.39Å; K691-N695 PolarHBondContact O-N 3.02Å; K691-N695 VanDerWaalsContact O-N 3.08Å; K691-N695 PolarHBondContact O-OD1 2.95Å
692S87.7Confident88.8Confident62 Ų6255.2 Ų55.243%0.43426%0.255SS..Hα-helixtrans-60.8-54.9172.845.70000111K690 N695 V696K690-S692 PolarHBondContact O-N 3.2Å; K690-S692 VanDerWaalsContact O-N 3.17Å; S692-N695 WeakPolarHBondContact O-CB 3.5Å; S692-N695 PolarHBondContact O-N 3.1Å; S692-N695 VanDerWaalsContact O-N 3.16Å; S692-V696 PolarHBondContact O-N 3.45Å
693I89.2Confident88.5Confident0 Ų059.3 Ų59.30%028%0.275CS..Hα-helixtrans-63.7-42.5178.9-66.8-177.5000111.3V652 Q655 I661 A685 K690 N695 V696 F697V652-I693 HydrophobicContact CG2-CG2 3.96Å; Q655-I693 WeakPolarHBondContact O-CD1 3.41Å; I661-I693 HydrophobicContact CD1-CD1 4.39Å; I661-I693 HydrophobicContact CD1-CG2 4.37Å; I661-I693 HydrophobicContact CG1-CD1 4.08Å; I661-I693 HydrophobicContact CG1-CG1 4.08Å; I661-I693 HydrophobicContact CG1-CG2 4.02Å; I661-I693 HydrophobicContact CG2-CG2 4.39Å; A685-I693 HydrophobicContact CB-CG2 3.96Å; K690-I693 HydrophobicContact CB-CB 4.23Å; K690-I693 HydrophobicContact CB-CD1 4.46Å; K690-I693 HydrophobicContact CD-CD1 3.96Å; K690-I693 PolarHBondContact O-N 3.2Å; K690-I693 VanDerWaalsContact O-N 3.1Å; I693-N695 PolarHBondContact O-N 3.34Å; I693-V696 WeakPolarHBondContact O-CB 3.17Å; I693-V696 PolarHBondContact O-N 3.37Å; I693-F697 HydrophobicContact CG2-CD2 4.4Å; I693-F697 HydrophobicContact CG2-CE2 3.8Å; I693-F697 WeakPolarHBondContact O-CD2 3.24Å; I693-F697 PolarHBondContact O-N 3.06Å
694A89.8Confident88.2Confident9 Ų959.4 Ų59.47%0.07428%0.276CS..Hα-helixtrans-60-31.917500000112.8Y682 A685 K690Y682-A694 HydrophobicContact CE2-CB 3.96Å; Y682-A694 WeakPolarHBondContact CE2-O 3.44Å; A685-A694 HydrophobicContact CB-CB 4.37Å; K690-A694 PolarHBondContact O-N 3.39Å
695N89.4Confident88.1Confident47 Ų4762.6 Ų62.625%0.25130%0.297SS..Hα-helixtrans-74.1-28.6172.6-789.1000112.8K691 S692 I693 R698 R699 L719K691-N695 WeakPolarHBondContact O-CB 3.39Å; K691-N695 PolarHBondContact O-N 3.02Å; K691-N695 VanDerWaalsContact O-N 3.08Å; K691-N695 PolarHBondContact O-OD1 2.95Å; S692-N695 WeakPolarHBondContact O-CB 3.5Å; S692-N695 PolarHBondContact O-N 3.1Å; S692-N695 VanDerWaalsContact O-N 3.16Å; I693-N695 PolarHBondContact O-N 3.34Å; N695-R698 PolarHBondContact O-N 2.91Å; N695-R699 WeakPolarHBondContact O-CG 3.3Å; N695-R699 PolarHBondContact O-N 3.39Å; N695-L719 HydrophobicContact CB-CD2 4.09Å
696V90.2Very high87.9Confident10 Ų1069.9 Ų69.96%0.06134%0.336CS..Hα-helixtrans-59.6-51176.1-179.70000110.5P658 I661 R662 L665 S692 I693 R698 R699 F700P658-V696 HydrophobicContact CB-CG2 3.31Å; I661-V696 HydrophobicContact CB-CG1 4.25Å; I661-V696 HydrophobicContact CG2-CB 4.33Å; I661-V696 HydrophobicContact CG2-CG1 4Å; R662-V696 HydrophobicContact CB-CG1 4.26Å; L665-V696 HydrophobicContact CD1-CG1 4.34Å; S692-V696 PolarHBondContact O-N 3.45Å; I693-V696 WeakPolarHBondContact O-CB 3.17Å; I693-V696 PolarHBondContact O-N 3.37Å; V696-R698 PolarHBondContact O-N 3Å; V696-R699 PolarHBondContact O-N 3.4Å; V696-R699 VanDerWaalsContact O-N 3.11Å; V696-F700 WeakPolarHBondContact O-CB 3.33Å; V696-F700 PolarHBondContact O-N 3.03Å
697F91.2Very high87.7Confident1 Ų171 Ų710%0.00433%0.332CS..Hα-helixtrans-54.8-39.4176.7-67.1-73000112.7L648 V652 I661 L665 P671 P681 Y682 A685 I693 F700 R701 I715L648-F697 HydrophobicContact CD2-CE1 4.43Å; V652-F697 HydrophobicContact CG2-CE2 3.98Å; V652-F697 HydrophobicContact CG2-CZ 3.86Å; I661-F697 HydrophobicContact CG2-CE1 4.37Å; I661-F697 HydrophobicContact CG2-CE2 4.33Å; I661-F697 HydrophobicContact CG2-CZ 4.05Å; L665-F697 HydrophobicContact CD1-CD1 3.92Å; L665-F697 HydrophobicContact CD1-CE1 4.13Å; L665-F697 HydrophobicContact CD2-CD1 4.23Å; L665-F697 HydrophobicContact CD2-CE1 4.09Å; P671-F697 HydrophobicContact CB-CD1 4.14Å; P671-F697 HydrophobicContact CB-CE1 4.03Å; P681-F697 HydrophobicContact CB-CE1 4.31Å; P681-F697 HydrophobicContact CB-CZ 3.84Å; Y682-F697 HydrophobicContact CD2-CB 3.95Å; Y682-F697 AromaticContact CD2-CD2 3.97Å; Y682-F697 HydrophobicContact CD2-CD2 3.97Å; Y682-F697 HydrophobicContact CD2-CG 4.21Å; A685-F697 HydrophobicContact CB-CE2 4.39Å; I693-F697 HydrophobicContact CG2-CD2 4.4Å; I693-F697 HydrophobicContact CG2-CE2 3.8Å; I693-F697 WeakPolarHBondContact O-CD2 3.24Å; I693-F697 PolarHBondContact O-N 3.06Å; F697-F700 PolarHBondContact O-N 3.42Å; F697-R701 PolarHBondContact O-N 3.09Å; F697-I715 HydrophobicContact CB-CD1 4.02Å; F697-I715 HydrophobicContact CB-CG1 4.37Å; F697-I715 HydrophobicContact CB-CG2 4.42Å; F697-I715 HydrophobicContact CD1-CD1 4.2Å; F697-I715 HydrophobicContact CG-CD1 4.4Å
698R90Very high87.6Confident61 Ų6166.3 Ų66.323%0.2332%0.315CS..Hα-helixtrans-76.9-26.4179.2-67.6-175.964.4-154.5-2.5114.3Y682 N695 V696 I715 A717 P718 L719Y682-R698 HydrophobicContact CE2-CG 4.34Å; N695-R698 PolarHBondContact O-N 2.91Å; V696-R698 PolarHBondContact O-N 3Å; R698-I715 HydrophobicContact CG-CG2 3.98Å; R698-A717 VanDerWaalsContact CZ-O 3.22Å; R698-A717 PolarHBondContact NE-O 3.34Å; R698-A717 PolarHBondContact NH2-O 3.12Å; R698-P718 WeakPolarHBondContact O-CA 3.34Å; R698-L719 HydrophobicContact CB-CB 3.86Å; R698-L719 PolarHBondContact O-N 3.03Å
699R88.2Confident87.8Confident94 Ų9466.7 Ų66.736%0.35532%0.317SS..Hα-helixtrans-77.2-36.1168.6-69-178.9-168.5159.92.9111N695 V696 F702 H703 L719 E724N695-R699 WeakPolarHBondContact O-CG 3.3Å; N695-R699 PolarHBondContact O-N 3.39Å; V696-R699 PolarHBondContact O-N 3.4Å; V696-R699 VanDerWaalsContact O-N 3.11Å; R699-F702 WeakPolarHBondContact O-CA 3.45Å; R699-F702 VanDerWaalsContact O-CB 3.25Å; R699-F702 WeakPolarHBondContact O-CB 3.43Å; R699-F702 PolarHBondContact O-N 3.44Å; R699-H703 PolarHBondContact O-CD2 3.37Å; R699-H703 PolarHBondContact O-N 2.97Å; R699-L719 HydrophobicContact CG-CB 4.47Å; R699-E724 IonicContact CZ-OE1 3.43Å; R699-E724 IonicContact CZ-OE2 2.63Å; R699-E724 IonicContact NE-OE2 2.66Å; R699-E724 PolarHBondContact NE-OE2 3.12Å; R699-E724 IonicContact NH2-OE1 3.67Å; R699-E724 PolarHBondContact NH2-OE1 2.8Å; R699-E724 IonicContact NH2-OE2 2.89Å; R699-E724 PolarHBondContact NH2-OE2 2.68Å
700F89Confident88Confident10 Ų1060 Ų604%0.04429%0.286CS..Hα-helixtrans-63.8-44.1175.8-165.9-85.8000111.3L665 E666 V696 F697 F702 H703 H704 Y708 Y710L665-F700 HydrophobicContact CB-CD1 4.35Å; L665-F700 HydrophobicContact CB-CD2 3.75Å; L665-F700 HydrophobicContact CB-CE1 4.23Å; L665-F700 HydrophobicContact CB-CE2 3.59Å; L665-F700 HydrophobicContact CB-CG 4.13Å; L665-F700 HydrophobicContact CB-CZ 3.83Å; L665-F700 HydrophobicContact CD1-CB 4.03Å; L665-F700 HydrophobicContact CD1-CD1 4.45Å; L665-F700 HydrophobicContact CD1-CD2 4.1Å; L665-F700 HydrophobicContact CD1-CG 3.92Å; E666-F700 HydrophobicContact CG-CE2 3.8Å; V696-F700 WeakPolarHBondContact O-CB 3.33Å; V696-F700 PolarHBondContact O-N 3.03Å; F697-F700 PolarHBondContact O-N 3.42Å; F700-F702 PolarHBondContact O-N 3.11Å; F700-F702 VanDerWaalsContact O-N 3.14Å; F700-H703 PolarHBondContact O-N 3.09Å; F700-H704 HydrophobicContact CD1-CB 4.47Å; F700-H704 HydrophobicContact CE1-CB 4Å; F700-H704 AromaticContact CE1-CD2 3.77Å; F700-H704 AromaticContact CE2-CD2 3.56Å; F700-H704 HydrophobicContact CZ-CB 4.42Å; F700-H704 AromaticContact CZ-CD2 3.38Å; F700-H704 WeakPolarHBondContact CZ-CD2 3.25Å; F700-H704 PolarHBondContact O-N 2.74Å; F700-Y708 HydrophobicContact CD1-CD2 4.43Å; F700-Y708 HydrophobicContact CD1-CE2 4.35Å; F700-Y708 AromaticContact CE1-CD2 3.85Å; F700-Y708 HydrophobicContact CE1-CD2 3.85Å; F700-Y708 AromaticContact CE1-CE2 3.5Å; F700-Y708 HydrophobicContact CE1-CE2 3.5Å; F700-Y708 VanDerWaalsContact CE1-CE2 3.5Å; F700-Y708 HydrophobicContact CZ-CE2 4.06Å; F700-Y710 WeakPolarHBondContact CD1-OH 3.39Å
701R89.6Confident87.9Confident46 Ų4663.4 Ų63.417%0.17431%0.306CS..Hα-helixtrans-57.2-23.9169.6-166.9-178.4179.6161.49113.4F697 Y710 D711 I715 P718F697-R701 PolarHBondContact O-N 3.09Å; R701-Y710 HydrophobicContact CB-CD1 3.83Å; R701-Y710 HydrophobicContact CB-CE1 3.7Å; R701-Y710 HydrophobicContact CB-CE2 4.45Å; R701-Y710 HydrophobicContact CB-CG 4.28Å; R701-Y710 HydrophobicContact CG-CD1 3.64Å; R701-Y710 HydrophobicContact CG-CD2 3.72Å; R701-Y710 HydrophobicContact CG-CE1 3.9Å; R701-Y710 HydrophobicContact CG-CE2 3.96Å; R701-Y710 HydrophobicContact CG-CG 3.56Å; R701-Y710 VanDerWaalsContact CZ-CB 3.4Å; R701-D711 IonicContact CZ-OD1 2.68Å; R701-D711 IonicContact NH1-OD1 3.12Å; R701-D711 PolarHBondContact NH1-OD1 2.93Å; R701-D711 IonicContact NH2-OD1 2.85Å; R701-D711 PolarHBondContact NH2-OD1 3.2Å; R701-D711 IonicContact NH2-OD2 3.72Å; R701-I715 PolarHBondContact NH1-O 2.99Å; R701-P718 HydrophobicContact CG-CG 4.05Å
702F87.8Confident88Confident87 Ų8761.3 Ų61.338%0.38230%0.297SS..Hα-helixtrans-78.7-34.2175.6-176.9-91.9000112.7R699 F700 P718 D720 P721R699-F702 WeakPolarHBondContact O-CA 3.45Å; R699-F702 VanDerWaalsContact O-CB 3.25Å; R699-F702 WeakPolarHBondContact O-CB 3.43Å; R699-F702 PolarHBondContact O-N 3.44Å; F700-F702 PolarHBondContact O-N 3.11Å; F700-F702 VanDerWaalsContact O-N 3.14Å; F702-P718 HydrophobicContact CB-CB 3.92Å; F702-P718 HydrophobicContact CD2-CB 4.02Å; F702-P718 HydrophobicContact CG-CB 4.49Å; F702-D720 HydrophobicContact CD2-CB 4.25Å; F702-D720 HydrophobicContact CE2-CB 3.83Å; F702-D720 HydrophobicContact CZ-CB 4.4Å; F702-P721 VanDerWaalsContact CD1-CD 3.41Å; F702-P721 HydrophobicContact CD1-CG 4.06Å; F702-P721 VanDerWaalsContact CE1-CD 3.49Å; F702-P721 HydrophobicContact CE1-CG 4.33Å
703H85.5Confident88Confident119 Ų11958.4 Ų58.455%0.55128%0.276SS*.Hα-helixtrans-88.8-24.7-179.6-68.8-69.4000113.8R699 F700R699-H703 PolarHBondContact O-CD2 3.37Å; R699-H703 PolarHBondContact O-N 2.97Å; F700-H703 PolarHBondContact O-N 3.09Å
704H86.7Confident87.9Confident67 Ų6763.8 Ų63.831%0.3130%0.3SS..  trans-135.972.7-178.5-61.1-65.4000110.8F700 D706 R707 Y710F700-H704 HydrophobicContact CD1-CB 4.47Å; F700-H704 HydrophobicContact CE1-CB 4Å; F700-H704 AromaticContact CE1-CD2 3.77Å; F700-H704 AromaticContact CE2-CD2 3.56Å; F700-H704 HydrophobicContact CZ-CB 4.42Å; F700-H704 AromaticContact CZ-CD2 3.38Å; F700-H704 WeakPolarHBondContact CZ-CD2 3.25Å; F700-H704 PolarHBondContact O-N 2.74Å; H704-D706 VanDerWaalsContact C-N 3.25Å; H704-D706 PolarHBondContact O-N 2.63Å; H704-R707 HydrophobicContact CB-CB 3.79Å; H704-Y710 VanDerWaalsContact O-CE2 3.24Å; H704-Y710 WeakPolarHBondContact O-CE2 3.22Å; H704-Y710 PolarHBondContact O-OH 3.09Å
705P85.8Confident87.7Confident74 Ų7463.5 Ų63.548%0.48130%0.297SS..THydrogen-bonded Turntrans-61-30.9-174.120.8-29.8000114.1Y710P705-Y710 WeakPolarHBondContact O-CD2 3.41Å; P705-Y710 VanDerWaalsContact O-CE2 3.24Å; P705-Y710 WeakPolarHBondContact O-CE2 3.13Å
706D85.6Confident87.5Confident152 Ų15264.1 Ų64.181%0.81330%0.304SS*.THydrogen-bonded Turntrans-105.81.4-169.3-41.1-62.1000113.7H704H704-D706 VanDerWaalsContact C-N 3.25Å; H704-D706 PolarHBondContact O-N 2.63Å
707R84.7Confident87.1Confident91 Ų9166.8 Ų66.834%0.34333%0.327SS..SBendtrans-79.7-23.2-169.2-176.3170.3179.4175.83.2115E666 H704E666-R707 PolarHBondContact O-NH1 2.91Å; E666-R707 PolarHBondContact O-NH2 3.35Å; H704-R707 HydrophobicContact CB-CB 3.79Å
708Y87.4Confident86.6Confident34 Ų3469.6 Ų69.613%0.13335%0.345CS..SBendtrans-146.5156.6-177.8-61.7-60.2000110.6L665 G668 C669 D670 P671 F700 Y710L665-Y708 HydrophobicContact CD2-CE2 4.28Å; L665-Y708 PolarHBondContact O-OH 2.86Å; G668-Y708 VanDerWaalsContact CA-OH 3.26Å; G668-Y708 WeakPolarHBondContact CA-OH 3.44Å; C669-Y708 PolarHBondContact O-OH 3.38Å; D670-Y708 HydrophobicContact CB-CD1 4.22Å; D670-Y708 HydrophobicContact CB-CE1 4.16Å; P671-Y708 HydrophobicContact CG-CD2 3.9Å; P671-Y708 HydrophobicContact CG-CG 4.06Å; F700-Y708 HydrophobicContact CD1-CD2 4.43Å; F700-Y708 HydrophobicContact CD1-CE2 4.35Å; F700-Y708 AromaticContact CE1-CD2 3.85Å; F700-Y708 HydrophobicContact CE1-CD2 3.85Å; F700-Y708 AromaticContact CE1-CE2 3.5Å; F700-Y708 HydrophobicContact CE1-CE2 3.5Å; F700-Y708 VanDerWaalsContact CE1-CE2 3.5Å; F700-Y708 HydrophobicContact CZ-CE2 4.06Å; Y708-Y710 VanDerWaalsContact C-N 3.33Å; Y708-Y710 WeakPolarHBondContact O-CD2 3.37Å; Y708-Y710 WeakPolarHBondContact O-CE2 3.2Å; Y708-Y710 PolarHBondContact O-N 2.82Å
709D88.5Confident86.1Confident82 Ų8268.4 Ų68.444%0.43934%0.343SS..  trans-73.686.2172.1-177.6-12000110.5A672 D711 K712 A713A672-D709 HydrophobicContact CB-CB 4.08Å; A672-D709 WeakPolarHBondContact CB-O 3.26Å; D709-D711 VanDerWaalsContact C-N 3.26Å; D709-D711 PolarHBondContact O-N 3.05Å; D709-D711 PolarHBondContact OD1-N 3.13Å; D709-K712 HydrophobicContact CB-CB 4.11Å; D709-K712 HydrophobicContact CB-CD 4.43Å; D709-K712 WeakPolarHBondContact OD1-CB 3.33Å; D709-K712 PolarHBondContact OD1-N 2.91Å; D709-K712 WeakPolarHBondContact OD2-CB 3.45Å; D709-K712 WeakPolarHBondContact OD2-CD 3.42Å; D709-A713 WeakPolarHBondContact O-CB 3.45Å; D709-A713 PolarHBondContact O-N 2.96Å
710Y89Confident85.7Confident7 Ų765.2 Ų65.23%0.02733%0.333CS..THydrogen-bonded Turntrans-68.4-21.7-175.6-71-70.4000114.6F700 R701 H704 P705 Y708 A713 K714 I715F700-Y710 WeakPolarHBondContact CD1-OH 3.39Å; R701-Y710 HydrophobicContact CB-CD1 3.83Å; R701-Y710 HydrophobicContact CB-CE1 3.7Å; R701-Y710 HydrophobicContact CB-CE2 4.45Å; R701-Y710 HydrophobicContact CB-CG 4.28Å; R701-Y710 HydrophobicContact CG-CD1 3.64Å; R701-Y710 HydrophobicContact CG-CD2 3.72Å; R701-Y710 HydrophobicContact CG-CE1 3.9Å; R701-Y710 HydrophobicContact CG-CE2 3.96Å; R701-Y710 HydrophobicContact CG-CG 3.56Å; R701-Y710 VanDerWaalsContact CZ-CB 3.4Å; H704-Y710 VanDerWaalsContact O-CE2 3.24Å; H704-Y710 WeakPolarHBondContact O-CE2 3.22Å; H704-Y710 PolarHBondContact O-OH 3.09Å; P705-Y710 WeakPolarHBondContact O-CD2 3.41Å; P705-Y710 VanDerWaalsContact O-CE2 3.24Å; P705-Y710 WeakPolarHBondContact O-CE2 3.13Å; Y708-Y710 VanDerWaalsContact C-N 3.33Å; Y708-Y710 WeakPolarHBondContact O-CD2 3.37Å; Y708-Y710 WeakPolarHBondContact O-CE2 3.2Å; Y708-Y710 PolarHBondContact O-N 2.82Å; Y710-A713 WeakPolarHBondContact O-CB 3.43Å; Y710-K714 PolarHBondContact O-N 2.87Å; Y710-I715 HydrophobicContact CD1-CB 4.36Å; Y710-I715 HydrophobicContact CD1-CD1 3.9Å; Y710-I715 HydrophobicContact CD1-CG2 4.47Å; Y710-I715 HydrophobicContact CE1-CD1 4.36Å; Y710-I715 PolarHBondContact O-N 3.43Å
711D85.6Confident85.1Confident111 Ų11166.7 Ų66.759%0.59434%0.344SS*.THydrogen-bonded Turntrans-88.8-36.7-175.7-61.4-29.1000109.9R701 D709 A713 K714R701-D711 IonicContact CZ-OD1 2.68Å; R701-D711 IonicContact NH1-OD1 3.12Å; R701-D711 PolarHBondContact NH1-OD1 2.93Å; R701-D711 IonicContact NH2-OD1 2.85Å; R701-D711 PolarHBondContact NH2-OD1 3.2Å; R701-D711 IonicContact NH2-OD2 3.72Å; D709-D711 VanDerWaalsContact C-N 3.26Å; D709-D711 PolarHBondContact O-N 3.05Å; D709-D711 PolarHBondContact OD1-N 3.13Å; D711-A713 VanDerWaalsContact C-N 3.34Å; D711-K714 WeakPolarHBondContact O-CA 3Å; D711-K714 PolarHBondContact O-N 3.38Å
712K88Confident84.7Confident124 Ų12468.7 Ų68.754%0.53937%0.365SS..THydrogen-bonded Turntrans-62.3-37.7161.7-175.3179.6178.7179.20112.5A672 D709 K714A672-K712 HydrophobicContact CB-CB 4.41Å; A672-K712 HydrophobicContact CB-CD 4.29Å; A672-K712 HydrophobicContact CB-CG 4.37Å; D709-K712 HydrophobicContact CB-CB 4.11Å; D709-K712 HydrophobicContact CB-CD 4.43Å; D709-K712 WeakPolarHBondContact OD1-CB 3.33Å; D709-K712 PolarHBondContact OD1-N 2.91Å; D709-K712 WeakPolarHBondContact OD2-CB 3.45Å; D709-K712 WeakPolarHBondContact OD2-CD 3.42Å; K712-K714 PolarHBondContact O-N 2.83Å
713A86.2Confident84.3Confident0 Ų071.7 Ų71.70%038%0.378CS..THydrogen-bonded Turntrans-63.2-16.9170.600000113.8P671 A672 T680 D709 Y710 D711 I715P671-A713 WeakPolarHBondContact O-CB 3.44Å; A672-A713 HydrophobicContact CB-CB 4.28Å; T680-A713 PolarHBondContact OG1-O 3.33Å; D709-A713 WeakPolarHBondContact O-CB 3.45Å; D709-A713 PolarHBondContact O-N 2.96Å; Y710-A713 WeakPolarHBondContact O-CB 3.43Å; D711-A713 VanDerWaalsContact C-N 3.34Å; A713-I715 VanDerWaalsContact C-N 3.26Å; A713-I715 HydrophobicContact CB-CB 4.49Å; A713-I715 HydrophobicContact CB-CD1 3.6Å; A713-I715 HydrophobicContact CB-CG1 3.79Å; A713-I715 PolarHBondContact O-N 3.25Å
714K87.1Confident83.9Confident113 Ų11368.7 Ų68.749%0.49136%0.364SS..THydrogen-bonded Turntrans58.135.2-174.4-58.8160.3-169.6165.30112.4Y682 Q683 Y710 D711 K712 P716Y682-K714 VanDerWaalsContact CD1-O 3.3Å; Y682-K714 WeakPolarHBondContact CD1-O 3.33Å; Q683-K714 HydrophobicContact CG-CD 4.49Å; Y710-K714 PolarHBondContact O-N 2.87Å; D711-K714 WeakPolarHBondContact O-CA 3Å; D711-K714 PolarHBondContact O-N 3.38Å; K712-K714 PolarHBondContact O-N 2.83Å; K714-P716 WeakPolarHBondContact O-CD 3.24Å
715I86.8Confident83.6Confident3 Ų368.2 Ų68.22%0.01537%0.372CS..  trans-88.5113.8179.6-68.3167.3000109.2P671 Y682 F697 R698 R701 Y710 A713P671-I715 HydrophobicContact CB-CD1 4.06Å; P671-I715 HydrophobicContact CG-CD1 4.19Å; Y682-I715 HydrophobicContact CD1-CG1 4.34Å; Y682-I715 HydrophobicContact CD2-CG1 4.09Å; Y682-I715 HydrophobicContact CG-CG1 3.76Å; F697-I715 HydrophobicContact CB-CD1 4.02Å; F697-I715 HydrophobicContact CB-CG1 4.37Å; F697-I715 HydrophobicContact CB-CG2 4.42Å; F697-I715 HydrophobicContact CD1-CD1 4.2Å; F697-I715 HydrophobicContact CG-CD1 4.4Å; R698-I715 HydrophobicContact CG-CG2 3.98Å; R701-I715 PolarHBondContact NH1-O 2.99Å; Y710-I715 HydrophobicContact CD1-CB 4.36Å; Y710-I715 HydrophobicContact CD1-CD1 3.9Å; Y710-I715 HydrophobicContact CD1-CG2 4.47Å; Y710-I715 HydrophobicContact CE1-CD1 4.36Å; Y710-I715 PolarHBondContact O-N 3.43Å; A713-I715 VanDerWaalsContact C-N 3.26Å; A713-I715 HydrophobicContact CB-CB 4.49Å; A713-I715 HydrophobicContact CB-CD1 3.6Å; A713-I715 HydrophobicContact CB-CG1 3.79Å; A713-I715 PolarHBondContact O-N 3.25Å
716P85Confident83.5Confident60 Ų6066.9 Ų66.939%0.3937%0.367SS..  trans-61.6165.2-179.6-23.934.9000113.5Y682 K714Y682-P716 HydrophobicContact CE1-CG 4.02Å; Y682-P716 WeakPolarHBondContact OH-CD 3.29Å; K714-P716 WeakPolarHBondContact O-CD 3.24Å
717A82.6Confident83.3Confident66 Ų6666.9 Ų66.955%0.54536%0.36SS..SBendtrans-36.8141.9-176.800000114.7R698R698-A717 VanDerWaalsContact CZ-O 3.22Å; R698-A717 PolarHBondContact NE-O 3.34Å; R698-A717 PolarHBondContact NH2-O 3.12Å
718P80.2Confident83.2Confident61 Ų6166.7 Ų66.740%0.39637%0.365SS..  trans-49.4147.1-175.2-28.133.4000114.8R698 R701 F702R698-P718 WeakPolarHBondContact O-CA 3.34Å; R701-P718 HydrophobicContact CG-CG 4.05Å; F702-P718 HydrophobicContact CB-CB 3.92Å; F702-P718 HydrophobicContact CD2-CB 4.02Å; F702-P718 HydrophobicContact CG-CB 4.49Å
719L78.5Confident83Confident35 Ų3568.4 Ų68.418%0.18337%0.374CS..  trans-103.694.3174-175.363.9000110N695 R698 R699 P721 E724N695-L719 HydrophobicContact CB-CD2 4.09Å; R698-L719 HydrophobicContact CB-CB 3.86Å; R698-L719 PolarHBondContact O-N 3.03Å; R699-L719 HydrophobicContact CG-CB 4.47Å; L719-P721 VanDerWaalsContact O-CD 3.27Å; L719-P721 WeakPolarHBondContact O-CD 3.33Å; L719-E724 WeakPolarHBondContact CD2-OE2 3.24Å
720D79.3Confident83Confident28 Ų2873.4 Ų73.415%0.1539%0.387CS..  trans-50.8113.6174177.6-29.7000111.8F702 S722 K723 E724F702-D720 HydrophobicContact CD2-CB 4.25Å; F702-D720 HydrophobicContact CE2-CB 3.83Å; F702-D720 HydrophobicContact CZ-CB 4.4Å; D720-S722 VanDerWaalsContact C-N 3.31Å; D720-S722 PolarHBondContact O-N 2.77Å; D720-S722 WeakPolarHBondContact OD1-CA 3.49Å; D720-S722 VanDerWaalsContact OD1-CB 3.24Å; D720-S722 WeakPolarHBondContact OD1-CB 3.27Å; D720-S722 PolarHBondContact OD1-N 2.98Å; D720-K723 HydrophobicContact CB-CB 4.04Å; D720-K723 HydrophobicContact CB-CD 4.04Å; D720-K723 HydrophobicContact CB-CG 4.13Å; D720-K723 PolarHBondContact O-N 2.74Å; D720-K723 PolarHBondContact OD1-N 2.99Å; D720-K723 WeakPolarHBondContact OD2-CD 3.45Å; D720-K723 WeakPolarHBondContact OD2-CE 3.39Å; D720-K723 WeakPolarHBondContact OD2-CG 3.37Å; D720-K723 IonicContact OD2-NZ 3.55Å; D720-K723 PolarHBondContact OD2-NZ 3.13Å; D720-E724 PolarHBondContact O-N 3.07Å
721P78.1Confident82.7Confident40 Ų4077.9 Ų77.926%0.2641%0.408SS..Hα-helixtrans-64.7-30.5-179-23.434.7000113.8F702 L719 E724 A725F702-P721 VanDerWaalsContact CD1-CD 3.41Å; F702-P721 HydrophobicContact CD1-CG 4.06Å; F702-P721 VanDerWaalsContact CE1-CD 3.49Å; F702-P721 HydrophobicContact CE1-CG 4.33Å; L719-P721 VanDerWaalsContact O-CD 3.27Å; L719-P721 WeakPolarHBondContact O-CD 3.33Å; P721-E724 PolarHBondContact O-N 3.43Å; P721-A725 WeakPolarHBondContact O-CB 3.46Å; P721-A725 PolarHBondContact O-N 3.47Å
722S79.8Confident82.8Confident89 Ų8978.6 Ų78.662%0.62240%0.402SS*.Hα-helixtrans-68.6-44.4177.3-175.90000110.7D720 E724 A725 A726D720-S722 VanDerWaalsContact C-N 3.31Å; D720-S722 PolarHBondContact O-N 2.77Å; D720-S722 WeakPolarHBondContact OD1-CA 3.49Å; D720-S722 VanDerWaalsContact OD1-CB 3.24Å; D720-S722 WeakPolarHBondContact OD1-CB 3.27Å; D720-S722 PolarHBondContact OD1-N 2.98Å; S722-E724 VanDerWaalsContact C-N 3.33Å; S722-E724 PolarHBondContact O-N 3.01Å; S722-A725 PolarHBondContact O-N 3.34Å; S722-A726 VanDerWaalsContact O-CB 3.29Å; S722-A726 WeakPolarHBondContact O-CB 3.35Å; S722-A726 PolarHBondContact O-N 2.96Å
723K79.6Confident82.8Confident149 Ų14976.7 Ų76.765%0.64840%0.395SS*.Hα-helixtrans-64.9-34.8173.2-68.7179.4-176.596.50112.2D720 K727D720-K723 HydrophobicContact CB-CB 4.04Å; D720-K723 HydrophobicContact CB-CD 4.04Å; D720-K723 HydrophobicContact CB-CG 4.13Å; D720-K723 PolarHBondContact O-N 2.74Å; D720-K723 PolarHBondContact OD1-N 2.99Å; D720-K723 WeakPolarHBondContact OD2-CD 3.45Å; D720-K723 WeakPolarHBondContact OD2-CE 3.39Å; D720-K723 WeakPolarHBondContact OD2-CG 3.37Å; D720-K723 IonicContact OD2-NZ 3.55Å; D720-K723 PolarHBondContact OD2-NZ 3.13Å; K723-K727 VanDerWaalsContact O-CB 3.24Å; K723-K727 WeakPolarHBondContact O-CB 3.43Å; K723-K727 PolarHBondContact O-N 2.85Å; K723-K727 VanDerWaalsContact O-N 3.1Å
724E77.7Confident82.9Confident56 Ų5685.7 Ų85.726%0.26243%0.429SS..Hα-helixtrans-67.5-45.9173.8-165177.5-179.900111.8R699 L719 D720 P721 S722 K727 L728R699-E724 IonicContact CZ-OE1 3.43Å; R699-E724 IonicContact CZ-OE2 2.63Å; R699-E724 IonicContact NE-OE2 2.66Å; R699-E724 PolarHBondContact NE-OE2 3.12Å; R699-E724 IonicContact NH2-OE1 3.67Å; R699-E724 PolarHBondContact NH2-OE1 2.8Å; R699-E724 IonicContact NH2-OE2 2.89Å; R699-E724 PolarHBondContact NH2-OE2 2.68Å; L719-E724 WeakPolarHBondContact CD2-OE2 3.24Å; D720-E724 PolarHBondContact O-N 3.07Å; P721-E724 PolarHBondContact O-N 3.43Å; S722-E724 VanDerWaalsContact C-N 3.33Å; S722-E724 PolarHBondContact O-N 3.01Å; E724-K727 PolarHBondContact O-N 2.88Å; E724-L728 WeakPolarHBondContact O-CB 2.91Å; E724-L728 PolarHBondContact O-N 3.27Å
725A80Confident82.8Confident58 Ų5882.8 Ų82.848%0.47942%0.421SS..Hα-helixtrans-63.5-46.7177.200000112.5P721 S722 K727 L728 E729P721-A725 WeakPolarHBondContact O-CB 3.46Å; P721-A725 PolarHBondContact O-N 3.47Å; S722-A725 PolarHBondContact O-N 3.34Å; A725-K727 VanDerWaalsContact C-N 3.3Å; A725-K727 PolarHBondContact O-N 3.01Å; A725-L728 WeakPolarHBondContact O-CB 3.34Å; A725-L728 PolarHBondContact O-N 2.9Å; A725-L728 VanDerWaalsContact O-N 3.13Å; A725-E729 PolarHBondContact O-N 3.24Å
726A83.3Confident83Confident45 Ų4588.7 Ų88.737%0.37245%0.447SS..Hα-helixtrans-62.1-36.8176.900000112.2S722 R730S722-A726 VanDerWaalsContact O-CB 3.29Å; S722-A726 WeakPolarHBondContact O-CB 3.35Å; S722-A726 PolarHBondContact O-N 2.96Å; A726-R730 WeakPolarHBondContact O-CB 3.28Å; A726-R730 VanDerWaalsContact O-CG 3.24Å; A726-R730 WeakPolarHBondContact O-CG 3.24Å; A726-R730 PolarHBondContact O-N 2.89Å; A726-R730 VanDerWaalsContact O-N 3.09Å
727K81.8Confident83.3Confident153 Ų15393 Ų9367%0.66546%0.455SS*.Hα-helixtrans-66.5-41.7172.9-177.7178.6179.8178.30111.8K723 E724 A725 R730 E731K723-K727 VanDerWaalsContact O-CB 3.24Å; K723-K727 WeakPolarHBondContact O-CB 3.43Å; K723-K727 PolarHBondContact O-N 2.85Å; K723-K727 VanDerWaalsContact O-N 3.1Å; E724-K727 PolarHBondContact O-N 2.88Å; A725-K727 VanDerWaalsContact C-N 3.3Å; A725-K727 PolarHBondContact O-N 3.01Å; K727-R730 PolarHBondContact O-N 3.21Å; K727-E731 PolarHBondContact O-N 3.12Å
728L82Confident83.4Confident86 Ų8696.1 Ų96.145%0.4546%0.458SS..Hα-helixtrans-64.7-42.9178.4-177.362.7000111.9E724 A725 E731 R732E724-L728 WeakPolarHBondContact O-CB 2.91Å; E724-L728 PolarHBondContact O-N 3.27Å; A725-L728 WeakPolarHBondContact O-CB 3.34Å; A725-L728 PolarHBondContact O-N 2.9Å; A725-L728 VanDerWaalsContact O-N 3.13Å; L728-E731 PolarHBondContact O-N 2.85Å; L728-R732 WeakPolarHBondContact O-CG 3.31Å; L728-R732 PolarHBondContact O-N 3.16Å
729E84.6Confident83.8Confident71 Ų71102.2 Ų102.233%0.33247%0.474SS..Hα-helixtrans-70.3-35.8176.7-163.258.5-136.100112.2A725 E731 R732 E733 K736A725-E729 PolarHBondContact O-N 3.24Å; E729-E731 VanDerWaalsContact C-N 3.28Å; E729-E731 PolarHBondContact O-N 3.15Å; E729-R732 PolarHBondContact O-N 3.06Å; E729-R732 WeakPolarHBondContact OE2-CD 3.49Å; E729-R732 IonicContact OE2-CZ 3.45Å; E729-R732 IonicContact OE2-NE 3.36Å; E729-R732 IonicContact OE2-NH1 3.63Å; E729-R732 PolarHBondContact OE2-NH1 2.9Å; E729-E733 WeakPolarHBondContact O-CB 3.48Å; E729-E733 PolarHBondContact O-N 2.91Å; E729-K736 IonicContact OE1-NZ 2.8Å; E729-K736 PolarHBondContact OE1-NZ 3.04Å
730R87.5Confident84.2Confident187 Ų187105.9 Ų105.971%0.70649%0.49SS*.Hα-helixtrans-59.5-35.7170-72.7170.8-177.2-176.11.9112.5A726 K727 R734A726-R730 WeakPolarHBondContact O-CB 3.28Å; A726-R730 VanDerWaalsContact O-CG 3.24Å; A726-R730 WeakPolarHBondContact O-CG 3.24Å; A726-R730 PolarHBondContact O-N 2.89Å; A726-R730 VanDerWaalsContact O-N 3.09Å; K727-R730 PolarHBondContact O-N 3.21Å; R730-R734 VanDerWaalsContact O-CB 3.27Å; R730-R734 WeakPolarHBondContact O-CB 3.46Å; R730-R734 PolarHBondContact O-N 3.3Å
731E83.9Confident84.8Confident100 Ų100113.8 Ų113.847%0.46752%0.518SS..Hα-helixtrans-74.4-38174.1-170.3166.1-173.600112.5K727 L728 E729 T735K727-E731 PolarHBondContact O-N 3.12Å; L728-E731 PolarHBondContact O-N 2.85Å; E729-E731 VanDerWaalsContact C-N 3.28Å; E729-E731 PolarHBondContact O-N 3.15Å; E731-T735 WeakPolarHBondContact O-CB 3.48Å; E731-T735 WeakPolarHBondContact O-CG2 3.44Å; E731-T735 PolarHBondContact O-N 3.3Å; E731-T735 PolarHBondContact O-OG1 3.01Å
732R86.7Confident85.1Confident127 Ų127117 Ų11748%0.47953%0.529SS..Hα-helixtrans-61.3-45.2171.3-71.5164.6172.9176.10.6111.5L728 E729 T735 K736L728-R732 WeakPolarHBondContact O-CG 3.31Å; L728-R732 PolarHBondContact O-N 3.16Å; E729-R732 PolarHBondContact O-N 3.06Å; E729-R732 WeakPolarHBondContact OE2-CD 3.49Å; E729-R732 IonicContact OE2-CZ 3.45Å; E729-R732 IonicContact OE2-NE 3.36Å; E729-R732 IonicContact OE2-NH1 3.63Å; E729-R732 PolarHBondContact OE2-NH1 2.9Å; R732-T735 WeakPolarHBondContact CA-OG1 3.5Å; R732-T735 PolarHBondContact O-N 2.94Å; R732-T735 PolarHBondContact O-OG1 3.31Å; R732-K736 WeakPolarHBondContact O-CB 3.42Å; R732-K736 VanDerWaalsContact O-CG 3.24Å; R732-K736 WeakPolarHBondContact O-CG 3.15Å; R732-K736 PolarHBondContact O-N 2.91Å
733E88.3Confident85.6Confident83 Ų83120.7 Ų120.739%0.38853%0.534SS..Hα-helixtrans-64.3-47.2177.4-160.4-158.6173.500111.7E729 T735 K736 R737E729-E733 WeakPolarHBondContact O-CB 3.48Å; E729-E733 PolarHBondContact O-N 2.91Å; E733-T735 VanDerWaalsContact C-N 3.26Å; E733-T735 PolarHBondContact O-N 2.93Å; E733-K736 WeakPolarHBondContact O-CB 3.42Å; E733-K736 PolarHBondContact O-N 3.11Å; E733-R737 WeakPolarHBondContact O-CG 3.32Å; E733-R737 PolarHBondContact O-N 3.25Å; E733-R737 IonicContact OE1-CZ 3.4Å; E733-R737 IonicContact OE1-NE 2.76Å; E733-R737 PolarHBondContact OE1-NE 3.21Å; E733-R737 IonicContact OE1-NH2 3.7Å; E733-R737 PolarHBondContact OE1-NH2 3.17Å
734R88.9Confident86.1Confident189 Ų189118 Ų11871%0.71352%0.524SS*.Hα-helixtrans-57.4-40.3175.3-174.1176.9-177.1173.63.7111.9R730 Q738R730-R734 VanDerWaalsContact O-CB 3.27Å; R730-R734 WeakPolarHBondContact O-CB 3.46Å; R730-R734 PolarHBondContact O-N 3.3Å; R734-Q738 WeakPolarHBondContact O-CB 3.45Å; R734-Q738 PolarHBondContact O-N 3.45Å
735T85Confident86.6Confident53 Ų53122.7 Ų122.733%0.32554%0.543SS..Hα-helixtrans-75.8-33.3178.151.80000113.2E731 R732 E733 Q738 R739E731-T735 WeakPolarHBondContact O-CB 3.48Å; E731-T735 WeakPolarHBondContact O-CG2 3.44Å; E731-T735 PolarHBondContact O-N 3.3Å; E731-T735 PolarHBondContact O-OG1 3.01Å; R732-T735 WeakPolarHBondContact CA-OG1 3.5Å; R732-T735 PolarHBondContact O-N 2.94Å; R732-T735 PolarHBondContact O-OG1 3.31Å; E733-T735 VanDerWaalsContact C-N 3.26Å; E733-T735 PolarHBondContact O-N 2.93Å; T735-Q738 PolarHBondContact O-N 3.08Å; T735-R739 WeakPolarHBondContact O-CB 3.5Å; T735-R739 VanDerWaalsContact O-CG 3.28Å; T735-R739 WeakPolarHBondContact O-CG 3.42Å; T735-R739 PolarHBondContact O-N 2.92Å
736K90.6Very high86.9Confident126 Ų126127 Ų12755%0.54855%0.547SS..Hα-helixtrans-57.1-56.6166.8-72.2162.8-177.4165.80110.1E729 R732 E733 Q738 R739 Q740E729-K736 IonicContact OE1-NZ 2.8Å; E729-K736 PolarHBondContact OE1-NZ 3.04Å; R732-K736 WeakPolarHBondContact O-CB 3.42Å; R732-K736 VanDerWaalsContact O-CG 3.24Å; R732-K736 WeakPolarHBondContact O-CG 3.15Å; R732-K736 PolarHBondContact O-N 2.91Å; E733-K736 WeakPolarHBondContact O-CB 3.42Å; E733-K736 PolarHBondContact O-N 3.11Å; K736-Q738 VanDerWaalsContact C-N 3.31Å; K736-Q738 PolarHBondContact O-N 3.24Å; K736-R739 PolarHBondContact O-N 3.25Å; K736-R739 VanDerWaalsContact O-N 3.16Å; K736-Q740 PolarHBondContact O-N 3.24Å
737R90.9Very high87.3Confident151 Ų151127.5 Ų127.557%0.5755%0.552SS**Hα-helixtrans-57.5-38.5177.9-67.6179.6-177.5-148.23.1112.6E733 R741E733-R737 WeakPolarHBondContact O-CG 3.32Å; E733-R737 PolarHBondContact O-N 3.25Å; E733-R737 IonicContact OE1-CZ 3.4Å; E733-R737 IonicContact OE1-NE 2.76Å; E733-R737 PolarHBondContact OE1-NE 3.21Å; E733-R737 IonicContact OE1-NH2 3.7Å; E733-R737 PolarHBondContact OE1-NH2 3.17Å; R737-R741 WeakPolarHBondContact O-CG 3.41Å; R737-R741 PolarHBondContact O-N 3.49Å; R737-R741 VanDerWaalsContact O-N 3.15Å
738Q84.7Confident87.8Confident131 Ų131123.3 Ų123.361%0.61255%0.545SS*.Hα-helixtrans-69.6-40.1176.9-171.7176.412.500113.1R734 T735 K736 Q742R734-Q738 WeakPolarHBondContact O-CB 3.45Å; R734-Q738 PolarHBondContact O-N 3.45Å; T735-Q738 PolarHBondContact O-N 3.08Å; K736-Q738 VanDerWaalsContact C-N 3.31Å; K736-Q738 PolarHBondContact O-N 3.24Å; Q738-Q742 PolarHBondContact O-N 3.19Å; Q738-Q742 VanDerWaalsContact O-N 3.13Å
739R87.9Confident88Confident189 Ų189124.4 Ų124.471%0.71355%0.548SS*.Hα-helixtrans-64-40.8174.8-74.6172.2-179.1-167.41.9111.5T735 K736 Q742 K743T735-R739 WeakPolarHBondContact O-CB 3.5Å; T735-R739 VanDerWaalsContact O-CG 3.28Å; T735-R739 WeakPolarHBondContact O-CG 3.42Å; T735-R739 PolarHBondContact O-N 2.92Å; K736-R739 PolarHBondContact O-N 3.25Å; K736-R739 VanDerWaalsContact O-N 3.16Å; R739-Q742 PolarHBondContact O-N 2.8Å; R739-K743 PolarHBondContact O-N 3.43Å
740Q88.6Confident88.3Confident113 Ų113130.3 Ų130.353%0.52857%0.567SS.*Hα-helixtrans-58.9-54.8175.5173.2169.6-3.100111.5K736 Q742 K743 E744K736-Q740 PolarHBondContact O-N 3.24Å; Q740-Q742 PolarHBondContact O-N 3.12Å; Q740-Q742 VanDerWaalsContact O-N 3.11Å; Q740-K743 WeakPolarHBondContact O-CA 3.38Å; Q740-K743 WeakPolarHBondContact O-CB 3.44Å; Q740-K743 PolarHBondContact O-N 2.99Å; Q740-E744 HydrophobicContact CG-CG 4.4Å; Q740-E744 WeakPolarHBondContact CG-OE1 3.42Å; Q740-E744 PolarHBondContact NE2-OE1 2.9Å; Q740-E744 WeakPolarHBondContact O-CG 3.27Å; Q740-E744 PolarHBondContact O-N 3.5Å
741R90.9Very high88.5Confident193 Ų193124.1 Ų124.173%0.72856%0.557SS**Hα-helixtrans-55.5-31.9175.5-71.2179.3177.2-171.3-2.2113.5R737 E744 K745R737-R741 WeakPolarHBondContact O-CG 3.41Å; R737-R741 PolarHBondContact O-N 3.49Å; R737-R741 VanDerWaalsContact O-N 3.15Å; R741-E744 VanDerWaalsContact CA-OE2 3.32Å; R741-E744 WeakPolarHBondContact CA-OE2 3.27Å; R741-K745 WeakPolarHBondContact O-CB 3.3Å; R741-K745 PolarHBondContact O-N 2.63Å
742Q84.5Confident88.8Confident108 Ų108121.7 Ų121.751%0.50555%0.554SS.*Hα-helixtrans-76.6-31.6175.1-166.717424.600113.3Q738 R739 Q740 R746Q738-Q742 PolarHBondContact O-N 3.19Å; Q738-Q742 VanDerWaalsContact O-N 3.13Å; R739-Q742 PolarHBondContact O-N 2.8Å; Q740-Q742 PolarHBondContact O-N 3.12Å; Q740-Q742 VanDerWaalsContact O-N 3.11Å; Q742-R746 WeakPolarHBondContact O-CB 3.29Å; Q742-R746 WeakPolarHBondContact O-CD 3.39Å; Q742-R746 VanDerWaalsContact O-CG 3.27Å; Q742-R746 WeakPolarHBondContact O-CG 3.33Å; Q742-R746 PolarHBondContact O-N 2.81Å
743K90.4Very high88.7Confident166 Ų166120 Ų12072%0.72255%0.553SS**Hα-helixtrans-67.5-47.7171.2-172.8-173177.7-1710110.3R739 Q740 R746 A747R739-K743 PolarHBondContact O-N 3.43Å; Q740-K743 WeakPolarHBondContact O-CA 3.38Å; Q740-K743 WeakPolarHBondContact O-CB 3.44Å; Q740-K743 PolarHBondContact O-N 2.99Å; K743-R746 PolarHBondContact O-N 2.95Å; K743-A747 PolarHBondContact O-N 3.45Å
744E89.3Confident88.7Confident94 Ų94121.1 Ų121.144%0.43956%0.558SS.*Hα-helixtrans-58.2-51.7177.9-70159.3175.200111.4Q740 R741 R746 A747 A748Q740-E744 HydrophobicContact CG-CG 4.4Å; Q740-E744 WeakPolarHBondContact CG-OE1 3.42Å; Q740-E744 PolarHBondContact NE2-OE1 2.9Å; Q740-E744 WeakPolarHBondContact O-CG 3.27Å; Q740-E744 PolarHBondContact O-N 3.5Å; R741-E744 VanDerWaalsContact CA-OE2 3.32Å; R741-E744 WeakPolarHBondContact CA-OE2 3.27Å; E744-R746 VanDerWaalsContact C-N 3.31Å; E744-R746 PolarHBondContact O-N 3.35Å; E744-A747 WeakPolarHBondContact O-CB 3.47Å; E744-A747 PolarHBondContact O-N 2.99Å; E744-A747 VanDerWaalsContact O-N 3.08Å; E744-A748 PolarHBondContact O-N 3.02Å
745K89.3Confident88.4Confident153 Ų153116.9 Ų116.967%0.66555%0.546SS*.Hα-helixtrans-58.4-40.4176.6-179.4165.2-179.5165.70112.7R741 A747 A748 E749R741-K745 WeakPolarHBondContact O-CB 3.3Å; R741-K745 PolarHBondContact O-N 2.63Å; K745-A747 VanDerWaalsContact C-N 3.35Å; K745-A748 PolarHBondContact O-N 2.89Å; K745-E749 VanDerWaalsContact O-CB 3.27Å; K745-E749 WeakPolarHBondContact O-CB 3.42Å; K745-E749 PolarHBondContact O-N 3.28Å
746R86.9Confident88.4Confident148 Ų148120.7 Ų120.756%0.55856%0.56SS**Hα-helixtrans-69.5-29.3177-77.9172.5166.4-178.6-5.9113.4Q742 K743 E744 R750Q742-R746 WeakPolarHBondContact O-CB 3.29Å; Q742-R746 WeakPolarHBondContact O-CD 3.39Å; Q742-R746 VanDerWaalsContact O-CG 3.27Å; Q742-R746 WeakPolarHBondContact O-CG 3.33Å; Q742-R746 PolarHBondContact O-N 2.81Å; K743-R746 PolarHBondContact O-N 2.95Å; E744-R746 VanDerWaalsContact C-N 3.31Å; E744-R746 PolarHBondContact O-N 3.35Å; R746-R750 VanDerWaalsContact O-CG 3.29Å; R746-R750 WeakPolarHBondContact O-CG 3.48Å; R746-R750 PolarHBondContact O-N 3.4Å
747A91.4Very high88.2Confident57 Ų57120.8 Ų120.847%0.47156%0.561SS.*Hα-helixtrans-71-47.4173.900000110.6K743 E744 K745 E749 R750 A751K743-A747 PolarHBondContact O-N 3.45Å; E744-A747 WeakPolarHBondContact O-CB 3.47Å; E744-A747 PolarHBondContact O-N 2.99Å; E744-A747 VanDerWaalsContact O-N 3.08Å; K745-A747 VanDerWaalsContact C-N 3.35Å; A747-E749 PolarHBondContact O-N 2.92Å; A747-R750 PolarHBondContact O-N 3.1Å; A747-A751 PolarHBondContact O-N 3.19Å
748A91.2Very high88Confident64 Ų64118.6 Ų118.653%0.52956%0.556SS.*Hα-helixtrans-60.4-42.3175.100000112.6E744 K745 R750 A751 A752E744-A748 PolarHBondContact O-N 3.02Å; K745-A748 PolarHBondContact O-N 2.89Å; A748-R750 VanDerWaalsContact C-N 3.34Å; A748-R750 PolarHBondContact O-N 3.19Å; A748-A751 PolarHBondContact O-N 3.43Å; A748-A752 WeakPolarHBondContact O-CB 3.04Å; A748-A752 PolarHBondContact O-N 2.9Å
749E87.7Confident87.9Confident110 Ų110115.6 Ų115.651%0.51454%0.544SS..Hα-helixtrans-61.6-38.9175.7-174.4173.3-169.400112.2K745 A747 I753K745-E749 VanDerWaalsContact O-CB 3.27Å; K745-E749 WeakPolarHBondContact O-CB 3.42Å; K745-E749 PolarHBondContact O-N 3.28Å; A747-E749 PolarHBondContact O-N 2.92Å; E749-I753 WeakPolarHBondContact O-CD1 3.32Å; E749-I753 VanDerWaalsContact O-CG1 3.3Å; E749-I753 WeakPolarHBondContact O-CG1 3.46Å; E749-I753 PolarHBondContact O-N 2.93Å
750R90.1Very high87.8Confident194 Ų194108.9 Ų108.973%0.73253%0.529SS*.Hα-helixtrans-68.9-45.7173.9-76.4173.5174.2-157.1-4.6112.6R746 A747 A748 A752 I753 E754R746-R750 VanDerWaalsContact O-CG 3.29Å; R746-R750 WeakPolarHBondContact O-CG 3.48Å; R746-R750 PolarHBondContact O-N 3.4Å; A747-R750 PolarHBondContact O-N 3.1Å; A748-R750 VanDerWaalsContact C-N 3.34Å; A748-R750 PolarHBondContact O-N 3.19Å; R750-A752 VanDerWaalsContact C-N 3.31Å; R750-A752 PolarHBondContact O-N 3.16Å; R750-I753 PolarHBondContact O-N 3.12Å; R750-E754 PolarHBondContact O-N 2.93Å
751A90.8Very high87.7Confident58 Ų58109.5 Ų109.548%0.47953%0.531SS..Hα-helixtrans-61-40.1178.500000111.8A747 A748 E754 Q755A747-A751 PolarHBondContact O-N 3.19Å; A748-A751 PolarHBondContact O-N 3.43Å; A751-E754 PolarHBondContact O-N 3.24Å; A751-Q755 PolarHBondContact O-N 2.97Å
752A90Very high87.4Confident49 Ų49102.9 Ų102.941%0.40551%0.509SS..Hα-helixtrans-63.3-40174.700000112.8A748 R750 Q756A748-A752 WeakPolarHBondContact O-CB 3.04Å; A748-A752 PolarHBondContact O-N 2.9Å; R750-A752 VanDerWaalsContact C-N 3.31Å; R750-A752 PolarHBondContact O-N 3.16Å; A752-Q756 WeakPolarHBondContact O-CB 3.29Å; A752-Q756 VanDerWaalsContact O-CG 3.29Å; A752-Q756 WeakPolarHBondContact O-CG 3.24Å; A752-Q756 PolarHBondContact O-N 3.35Å
753I85.4Confident87.2Confident92 Ų92100.9 Ų100.947%0.47250%0.499SS..Hα-helixtrans-67.4-37.8175.1-68.8165000111.2E749 R750 K757E749-I753 WeakPolarHBondContact O-CD1 3.32Å; E749-I753 VanDerWaalsContact O-CG1 3.3Å; E749-I753 WeakPolarHBondContact O-CG1 3.46Å; E749-I753 PolarHBondContact O-N 2.93Å; R750-I753 PolarHBondContact O-N 3.12Å; I753-K757 PolarHBondContact O-N 3.21Å; I753-K757 VanDerWaalsContact O-N 3.14Å
754E87.7Confident87.1Confident106 Ų10695.8 Ų95.850%0.49549%0.488SS..Hα-helixtrans-68.4-41.1177.1-165.2-174.9130.800112R750 A751 K757 K758R750-E754 PolarHBondContact O-N 2.93Å; A751-E754 PolarHBondContact O-N 3.24Å; E754-K757 WeakPolarHBondContact O-CB 3.39Å; E754-K757 PolarHBondContact O-N 2.87Å; E754-K758 PolarHBondContact O-N 3.42Å; E754-K758 VanDerWaalsContact O-N 3.11Å; E754-K758 WeakPolarHBondContact OE1-CE 3.37Å; E754-K758 IonicContact OE1-NZ 3.81Å; E754-K758 PolarHBondContact OE1-NZ 3.11Å
755Q84.1Confident86.9Confident99 Ų99100.5 Ų100.546%0.46350%0.502SS..Hα-helixtrans-62.3-47.7173.9-169.961.440.100111.1A751 K757 K758 D759A751-Q755 PolarHBondContact O-N 2.97Å; Q755-K757 PolarHBondContact O-N 3.03Å; Q755-K757 VanDerWaalsContact O-N 3.16Å; Q755-K758 PolarHBondContact O-N 3.16Å; Q755-D759 PolarHBondContact NE2-OD1 3.28Å; Q755-D759 PolarHBondContact O-N 3.14Å
756Q83.3Confident86.8Confident133 Ų13393.6 Ų93.662%0.62147%0.472SS*.Hα-helixtrans-57.9-31.1176.6-76.21763.600113.3A752 A760A752-Q756 WeakPolarHBondContact O-CB 3.29Å; A752-Q756 VanDerWaalsContact O-CG 3.29Å; A752-Q756 WeakPolarHBondContact O-CG 3.24Å; A752-Q756 PolarHBondContact O-N 3.35Å; Q756-A760 VanDerWaalsContact O-CB 3.24Å; Q756-A760 WeakPolarHBondContact O-CB 3.49Å; Q756-A760 PolarHBondContact O-N 3.27Å
757K87.5Confident86.7Confident129 Ų12989.9 Ų89.956%0.56146%0.463SS*.Hα-helixtrans-68.4-50.6171.1-76.5-175.1171.4-163.40112I753 E754 Q755 D759 A760 E761I753-K757 PolarHBondContact O-N 3.21Å; I753-K757 VanDerWaalsContact O-N 3.14Å; E754-K757 WeakPolarHBondContact O-CB 3.39Å; E754-K757 PolarHBondContact O-N 2.87Å; Q755-K757 PolarHBondContact O-N 3.03Å; Q755-K757 VanDerWaalsContact O-N 3.16Å; K757-D759 VanDerWaalsContact C-N 3.31Å; K757-D759 PolarHBondContact O-N 2.99Å; K757-A760 CarbonylContact O-C 3.58Å; K757-A760 PolarHBondContact O-N 3.41Å; K757-A760 VanDerWaalsContact O-N 3.14Å; K757-E761 WeakPolarHBondContact O-CB 3.48Å; K757-E761 WeakPolarHBondContact O-CG 3.48Å; K757-E761 PolarHBondContact O-N 3.48Å
758K86.6Confident86.5Confident105 Ų10591.4 Ų91.446%0.45748%0.476SS..Hα-helixtrans-58.5-43.5178.9-68.9170.7-177.2169.60111.7E754 Q755 A760 E761 E762E754-K758 PolarHBondContact O-N 3.42Å; E754-K758 VanDerWaalsContact O-N 3.11Å; E754-K758 WeakPolarHBondContact OE1-CE 3.37Å; E754-K758 IonicContact OE1-NZ 3.81Å; E754-K758 PolarHBondContact OE1-NZ 3.11Å; Q755-K758 PolarHBondContact O-N 3.16Å; K758-A760 VanDerWaalsContact C-N 3.32Å; K758-A760 PolarHBondContact O-N 3.08Å; K758-E761 PolarHBondContact O-N 2.79Å; K758-E762 PolarHBondContact O-N 3.33Å
759D82.8Confident86.2Confident68 Ų6890.4 Ų90.436%0.36446%0.461SS..Hα-helixtrans-61.3-40.6177.2-60.7-19.2000111.9Q755 K757 Q763Q755-D759 PolarHBondContact NE2-OD1 3.28Å; Q755-D759 PolarHBondContact O-N 3.14Å; K757-D759 VanDerWaalsContact C-N 3.31Å; K757-D759 PolarHBondContact O-N 2.99Å; D759-Q763 VanDerWaalsContact O-CB 3.29Å; D759-Q763 WeakPolarHBondContact O-CB 3.43Å; D759-Q763 PolarHBondContact O-N 3.37Å
760A84.8Confident86.1Confident48 Ų4887.7 Ų87.740%0.39746%0.455SS..Hα-helixtrans-75.5-33.2178.300000113.1Q756 K757 K758 Q763 A764Q756-A760 VanDerWaalsContact O-CB 3.24Å; Q756-A760 WeakPolarHBondContact O-CB 3.49Å; Q756-A760 PolarHBondContact O-N 3.27Å; K757-A760 CarbonylContact O-C 3.58Å; K757-A760 PolarHBondContact O-N 3.41Å; K757-A760 VanDerWaalsContact O-N 3.14Å; K758-A760 VanDerWaalsContact C-N 3.32Å; K758-A760 PolarHBondContact O-N 3.08Å; A760-Q763 WeakPolarHBondContact O-CB 3.32Å; A760-Q763 PolarHBondContact O-N 3.33Å; A760-A764 WeakPolarHBondContact O-CB 3.29Å; A760-A764 PolarHBondContact O-N 3.06Å
761E86.8Confident85.8Confident125 Ų12582.3 Ų82.358%0.58444%0.44SS*.Hα-helixtrans-68.5-43.8174.4-75.5165.5-157.300110.9K757 K758 Q763 A764 R765K757-E761 WeakPolarHBondContact O-CB 3.48Å; K757-E761 WeakPolarHBondContact O-CG 3.48Å; K757-E761 PolarHBondContact O-N 3.48Å; K758-E761 PolarHBondContact O-N 2.79Å; E761-Q763 VanDerWaalsContact C-N 3.34Å; E761-A764 PolarHBondContact O-N 2.85Å; E761-R765 WeakPolarHBondContact O-CB 3.33Å; E761-R765 PolarHBondContact O-N 3.14Å
762E84.3Confident85.4Confident55 Ų5589.6 Ų89.626%0.25746%0.455SS..Hα-helixtrans-67.9-33.4171.1-161.6-147.4147.100111.6K758 R765 F766 R781 R799K758-E762 PolarHBondContact O-N 3.33Å; E762-R765 PolarHBondContact O-N 3.33Å; E762-F766 VanDerWaalsContact O-CB 3.31Å; E762-F766 WeakPolarHBondContact O-CB 3.4Å; E762-F766 PolarHBondContact O-N 2.8Å; E762-R781 IonicContact OE1-CZ 2.92Å; E762-R781 IonicContact OE1-NH1 3.55Å; E762-R781 PolarHBondContact OE1-NH1 2.77Å; E762-R781 IonicContact OE1-NH2 2.8Å; E762-R781 PolarHBondContact OE1-NH2 3.39Å; E762-R799 IonicContact OE1-CZ 2.77Å; E762-R799 IonicContact OE1-NE 2.77Å; E762-R799 PolarHBondContact OE1-NE 2.92Å; E762-R799 IonicContact OE1-NH2 4Å; E762-R799 IonicContact OE2-CZ 3.22Å; E762-R799 IonicContact OE2-NE 3.21Å; E762-R799 PolarHBondContact OE2-NE 3.22Å; E762-R799 IonicContact OE2-NH2 2.86Å; E762-R799 PolarHBondContact OE2-NH2 2.68Å
763Q81.8Confident85.2Confident65 Ų6591.6 Ų91.630%0.30446%0.456SS..Hα-helixtrans-62.7-44.4173.1-176.91752.300112D759 A760 E761 F766 L767 C803D759-Q763 VanDerWaalsContact O-CB 3.29Å; D759-Q763 WeakPolarHBondContact O-CB 3.43Å; D759-Q763 PolarHBondContact O-N 3.37Å; A760-Q763 WeakPolarHBondContact O-CB 3.32Å; A760-Q763 PolarHBondContact O-N 3.33Å; E761-Q763 VanDerWaalsContact C-N 3.34Å; Q763-F766 PolarHBondContact O-N 3.25Å; Q763-L767 HydrophobicContact CG-CD1 4.32Å; Q763-L767 WeakPolarHBondContact O-CB 3.49Å; Q763-L767 WeakPolarHBondContact O-CG 3.44Å; Q763-L767 PolarHBondContact O-N 3Å; Q763-C803 PolarHBondContact NE2-O 2.99Å
764A87.2Confident85.2Confident59 Ų5988 Ų8849%0.48844%0.438SS..Hα-helixtrans-65.1-45.2175.700000111.4A760 E761 F766 L767 A768A760-A764 WeakPolarHBondContact O-CB 3.29Å; A760-A764 PolarHBondContact O-N 3.06Å; E761-A764 PolarHBondContact O-N 2.85Å; A764-F766 VanDerWaalsContact C-N 3.34Å; A764-F766 PolarHBondContact O-N 3.37Å; A764-L767 PolarHBondContact O-N 3.36Å; A764-A768 WeakPolarHBondContact O-CB 3.16Å; A764-A768 PolarHBondContact O-N 3.42Å
765R86.4Confident84.8Confident193 Ų19388 Ų8873%0.72843%0.433SS*.Hα-helixtrans-58-44175.1-174.7-179.9177.4-166.4-1.4111.8E761 E762E761-R765 WeakPolarHBondContact O-CB 3.33Å; E761-R765 PolarHBondContact O-N 3.14Å; E762-R765 PolarHBondContact O-N 3.33Å
766F86.4Confident84.8Confident8 Ų885.4 Ų85.44%0.03543%0.428CS..Hα-helixtrans-65.9-38.4177.5-177.9-93000112.5E762 Q763 A764 K774 R799E762-F766 VanDerWaalsContact O-CB 3.31Å; E762-F766 WeakPolarHBondContact O-CB 3.4Å; E762-F766 PolarHBondContact O-N 2.8Å; Q763-F766 PolarHBondContact O-N 3.25Å; A764-F766 VanDerWaalsContact C-N 3.34Å; A764-F766 PolarHBondContact O-N 3.37Å; F766-K774 HydrophobicContact CZ-CG 4.37Å; F766-K774 WeakPolarHBondContact O-CE 3.34Å; F766-R799 HydrophobicContact CD1-CB 4.12Å; F766-R799 HydrophobicContact CD2-CB 4.35Å; F766-R799 HydrophobicContact CE1-CB 3.95Å; F766-R799 HydrophobicContact CE2-CB 4.2Å; F766-R799 HydrophobicContact CG-CB 4.32Å; F766-R799 HydrophobicContact CZ-CB 3.99Å
767L85.5Confident84.6Confident70 Ų7081.1 Ų81.137%0.36641%0.409SS..Hα-helixtrans-69.7-34.3179.2-78.1172.8000113.4Q763 A764 L769 K774Q763-L767 HydrophobicContact CG-CD1 4.32Å; Q763-L767 WeakPolarHBondContact O-CB 3.49Å; Q763-L767 WeakPolarHBondContact O-CG 3.44Å; Q763-L767 PolarHBondContact O-N 3Å; A764-L767 PolarHBondContact O-N 3.36Å; L767-L769 VanDerWaalsContact C-N 3.31Å; L767-L769 PolarHBondContact O-N 3.26Å; L767-K774 WeakPolarHBondContact O-CE 3.44Å; L767-K774 PolarHBondContact O-NZ 3.27Å
768A86.4Confident84Confident90 Ų9076.6 Ų76.674%0.74439%0.39SS*.Hα-helixtrans-70.5-20.7-177.600000114.7A764A764-A768 WeakPolarHBondContact O-CB 3.16Å; A764-A768 PolarHBondContact O-N 3.42Å
769L85.3Confident83.5Confident42 Ų4275.4 Ų75.422%0.2239%0.392CS..SBendtrans-68.7154.3178.4-69.3168.9000112.5L767 E773 K774 I777L767-L769 VanDerWaalsContact C-N 3.31Å; L767-L769 PolarHBondContact O-N 3.26Å; L769-E773 HydrophobicContact CB-CB 4.07Å; L769-E773 HydrophobicContact CD2-CB 4.16Å; L769-K774 HydrophobicContact CB-CG 4.03Å; L769-K774 WeakPolarHBondContact O-CE 3.31Å; L769-K774 PolarHBondContact O-NZ 3.14Å; L769-I777 HydrophobicContact CD1-CD1 3.42Å; L769-I777 VanDerWaalsContact CD1-CD1 3.42Å
770S86.1Confident83.3Confident54 Ų5477.4 Ų77.438%0.37840%0.399SS..  trans-67.4160.2172.570.80000112.2R772 E773 K774S770-R772 PolarHBondContact O-N 3.01Å; S770-R772 VanDerWaalsContact O-N 3.11Å; S770-R772 PolarHBondContact OG-N 3.48Å; S770-E773 WeakPolarHBondContact CA-OE2 3.43Å; S770-E773 WeakPolarHBondContact CB-OE2 3.42Å; S770-E773 PolarHBondContact N-OE2 3.14Å; S770-E773 PolarHBondContact O-N 3.34Å; S770-E773 VanDerWaalsContact O-N 3.1Å; S770-E773 WeakPolarHBondContact OG-CG 3.48Å; S770-E773 PolarHBondContact OG-N 3.45Å; S770-E773 PolarHBondContact OG-OE2 3.09Å; S770-K774 WeakPolarHBondContact O-CG 3.46Å; S770-K774 PolarHBondContact O-N 3.16Å
771D83.3Confident82.8Confident81 Ų8177.4 Ų77.443%0.43339%0.389SS..THydrogen-bonded Turntrans-69.8-5.7177-66.8-8000113.1K774 R775 F801D771-K774 IonicContact OD1-NZ 3.2Å; D771-K774 PolarHBondContact OD1-NZ 3Å; D771-R775 PolarHBondContact O-NE 3.03Å; D771-R775 PolarHBondContact O-NH2 3.29Å; D771-F801 HydrophobicContact CB-CZ 3.92Å
772R82Confident81.9Confident210 Ų21081.3 Ų81.379%0.79240%0.398SS*.THydrogen-bonded Turntrans-82.2-50.3166-176.1178179.6175.7-0.5110.6S770 R775 A776S770-R772 PolarHBondContact O-N 3.01Å; S770-R772 VanDerWaalsContact O-N 3.11Å; S770-R772 PolarHBondContact OG-N 3.48Å; R772-R775 PolarHBondContact O-N 3.47Å; R772-A776 PolarHBondContact O-N 2.93Å
773E85.2Confident81.3Confident91 Ų9184.1 Ų84.143%0.42541%0.414SS..Hα-helixtrans-66.8-40.4-179.6-67.6158122.700112.4L769 S770 R775 A776 I777L769-E773 HydrophobicContact CB-CB 4.07Å; L769-E773 HydrophobicContact CD2-CB 4.16Å; S770-E773 WeakPolarHBondContact CA-OE2 3.43Å; S770-E773 WeakPolarHBondContact CB-OE2 3.42Å; S770-E773 PolarHBondContact N-OE2 3.14Å; S770-E773 PolarHBondContact O-N 3.34Å; S770-E773 VanDerWaalsContact O-N 3.1Å; S770-E773 WeakPolarHBondContact OG-CG 3.48Å; S770-E773 PolarHBondContact OG-N 3.45Å; S770-E773 PolarHBondContact OG-OE2 3.09Å; E773-R775 PolarHBondContact O-N 3.12Å; E773-A776 WeakPolarHBondContact O-CB 3.35Å; E773-A776 PolarHBondContact O-N 3.2Å; E773-A776 VanDerWaalsContact O-N 3.13Å; E773-I777 PolarHBondContact O-N 2.88Å
774K86.5Confident80.6Confident18 Ų1886.6 Ų86.68%0.07843%0.427CS..Hα-helixtrans-56.2-38.9173.4-73.9169.2176.7131.70112.3F766 L767 L769 S770 D771 M778 F801F766-K774 HydrophobicContact CZ-CG 4.37Å; F766-K774 WeakPolarHBondContact O-CE 3.34Å; L767-K774 WeakPolarHBondContact O-CE 3.44Å; L767-K774 PolarHBondContact O-NZ 3.27Å; L769-K774 HydrophobicContact CB-CG 4.03Å; L769-K774 WeakPolarHBondContact O-CE 3.31Å; L769-K774 PolarHBondContact O-NZ 3.14Å; S770-K774 WeakPolarHBondContact O-CG 3.46Å; S770-K774 PolarHBondContact O-N 3.16Å; D771-K774 IonicContact OD1-NZ 3.2Å; D771-K774 PolarHBondContact OD1-NZ 3Å; K774-M778 WeakPolarHBondContact O-CB 3.4Å; K774-M778 WeakPolarHBondContact O-CG 3.47Å; K774-M778 PolarHBondContact O-N 3.39Å; K774-M778 VanDerWaalsContact O-N 3.14Å; K774-F801 HydrophobicContact CB-CD2 4.18Å; K774-F801 HydrophobicContact CB-CE2 3.6Å; K774-F801 HydrophobicContact CB-CZ 4.48Å; K774-F801 HydrophobicContact CD-CD2 4.4Å; K774-F801 HydrophobicContact CD-CE2 3.91Å; K774-F801 HydrophobicContact CD-CZ 4.2Å; K774-F801 HydrophobicContact CG-CE2 4.41Å
775R78.7Confident79.5Confident106 Ų10687.3 Ų87.340%0.443%0.429SS..Hα-helixtrans-73.3-40.3175.3-81.6-178.3-73.5174.1-3.5112D771 R772 E773 M778 T779 F801 Y818D771-R775 PolarHBondContact O-NE 3.03Å; D771-R775 PolarHBondContact O-NH2 3.29Å; R772-R775 PolarHBondContact O-N 3.47Å; E773-R775 PolarHBondContact O-N 3.12Å; R775-M778 PolarHBondContact O-N 3.31Å; R775-T779 PolarHBondContact O-N 2.84Å; R775-T779 PolarHBondContact O-OG1 2.76Å; R775-F801 HydrophobicContact CG-CE2 4.43Å; R775-Y818 HydrophobicContact CG-CE1 4.03Å; R775-Y818 PolarHBondContact NH1-OH 3.48Å
776A83.4Confident78.1Confident44 Ų4482.9 Ų82.936%0.36443%0.427SS..Hα-helixtrans-56.7-51.6173.700000111.5R772 E773 M778 T779 E780R772-A776 PolarHBondContact O-N 2.93Å; E773-A776 WeakPolarHBondContact O-CB 3.35Å; E773-A776 PolarHBondContact O-N 3.2Å; E773-A776 VanDerWaalsContact O-N 3.13Å; A776-M778 VanDerWaalsContact C-N 3.33Å; A776-M778 PolarHBondContact O-N 3.45Å; A776-T779 CarbonylContact O-C 3.59Å; A776-T779 WeakPolarHBondContact O-CA 3.37Å; A776-T779 WeakPolarHBondContact O-CB 3.35Å; A776-T779 PolarHBondContact O-N 3.03Å; A776-E780 WeakPolarHBondContact O-CG 3.43Å; A776-E780 PolarHBondContact O-N 3.37Å
777I79.4Confident76.8Confident43 Ų4385.3 Ų85.322%0.22146%0.455CS..Hα-helixtrans-63.7-36178.9-67175.7000112.3L769 E773 T779 E780 R781L769-I777 HydrophobicContact CD1-CD1 3.42Å; L769-I777 VanDerWaalsContact CD1-CD1 3.42Å; E773-I777 PolarHBondContact O-N 2.88Å; I777-T779 VanDerWaalsContact C-N 3.35Å; I777-E780 PolarHBondContact O-N 2.75Å; I777-R781 HydrophobicContact CG2-CG 4.33Å; I777-R781 WeakPolarHBondContact O-CB 3.31Å; I777-R781 WeakPolarHBondContact O-CG 3.17Å; I777-R781 PolarHBondContact O-N 2.83Å
778M75.4Confident75.1Confident33 Ų3386.7 Ų86.716%0.16347%0.471CS..Hα-helixtrans-64.5-39.5173.3-74.9-105.8-7200111.7K774 R775 A776 R782 N819K774-M778 WeakPolarHBondContact O-CB 3.4Å; K774-M778 WeakPolarHBondContact O-CG 3.47Å; K774-M778 PolarHBondContact O-N 3.39Å; K774-M778 VanDerWaalsContact O-N 3.14Å; R775-M778 PolarHBondContact O-N 3.31Å; A776-M778 VanDerWaalsContact C-N 3.33Å; A776-M778 PolarHBondContact O-N 3.45Å; M778-R782 WeakPolarHBondContact O-CB 3.17Å; M778-R782 PolarHBondContact O-N 2.97Å; M778-R782 VanDerWaalsContact O-N 3.09Å; M778-N819 HydrophobicContact CE-CB 4.14Å
779T75Confident73.3Confident81 Ų8187.9 Ų87.950%0.49748%0.481SS..Hα-helixtrans-68.3-44.8174.4-61.70000111.7R775 A776 I777 R782 L783R775-T779 PolarHBondContact O-N 2.84Å; R775-T779 PolarHBondContact O-OG1 2.76Å; A776-T779 CarbonylContact O-C 3.59Å; A776-T779 WeakPolarHBondContact O-CA 3.37Å; A776-T779 WeakPolarHBondContact O-CB 3.35Å; A776-T779 PolarHBondContact O-N 3.03Å; I777-T779 VanDerWaalsContact C-N 3.35Å; T779-R782 WeakPolarHBondContact O-CB 3.13Å; T779-R782 PolarHBondContact O-N 2.66Å; T779-R782 VanDerWaalsContact O-N 3.17Å; T779-L783 HydrophobicContact CG2-CD1 3.95Å; T779-L783 HydrophobicContact CG2-CG 4.41Å; T779-L783 WeakPolarHBondContact O-CG 3.29Å; T779-L783 PolarHBondContact O-N 2.77Å
780E79.4Confident71.4Confident109 Ų10990.9 Ų90.951%0.50951%0.505SS..Hα-helixtrans-58.4-49.7175.6-72.1165.8-17800111.9A776 I777 R782 L783 M784A776-E780 WeakPolarHBondContact O-CG 3.43Å; A776-E780 PolarHBondContact O-N 3.37Å; I777-E780 PolarHBondContact O-N 2.75Å; E780-R782 VanDerWaalsContact C-N 3.26Å; E780-R782 PolarHBondContact O-N 3.08Å; E780-L783 PolarHBondContact O-N 2.76Å; E780-M784 WeakPolarHBondContact O-CG 3.45Å; E780-M784 PolarHBondContact O-N 3.43Å
781R73.7Confident69.3Low49 Ų4992.3 Ų92.319%0.18553%0.528CS..Hα-helixtrans-61.6-34176.1-71.5-176.7-174.6-163.94.3111.8E762 I777 S785 V796E762-R781 IonicContact OE1-CZ 2.92Å; E762-R781 IonicContact OE1-NH1 3.55Å; E762-R781 PolarHBondContact OE1-NH1 2.77Å; E762-R781 IonicContact OE1-NH2 2.8Å; E762-R781 PolarHBondContact OE1-NH2 3.39Å; I777-R781 HydrophobicContact CG2-CG 4.33Å; I777-R781 WeakPolarHBondContact O-CB 3.31Å; I777-R781 WeakPolarHBondContact O-CG 3.17Å; I777-R781 PolarHBondContact O-N 2.83Å; R781-S785 WeakPolarHBondContact O-CB 3.18Å; R781-S785 PolarHBondContact O-N 2.9Å; R781-V796 WeakPolarHBondContact CD-O 3.46Å; R781-V796 PolarHBondContact NH1-O 3.42Å
782R69.1Low67.5Low206 Ų20696.6 Ų96.678%0.77755%0.545SS*.Hα-helixtrans-70.3-40.8175.7-158178.4-154.6172.26112.4M778 T779 E780 S785 S786M778-R782 WeakPolarHBondContact O-CB 3.17Å; M778-R782 PolarHBondContact O-N 2.97Å; M778-R782 VanDerWaalsContact O-N 3.09Å; T779-R782 WeakPolarHBondContact O-CB 3.13Å; T779-R782 PolarHBondContact O-N 2.66Å; T779-R782 VanDerWaalsContact O-N 3.17Å; E780-R782 VanDerWaalsContact C-N 3.26Å; E780-R782 PolarHBondContact O-N 3.08Å; R782-S785 PolarHBondContact O-N 2.89Å; R782-S786 PolarHBondContact O-N 3.21Å; R782-S786 PolarHBondContact O-OG 3.33Å
783L70.8Confident65.5Low114 Ų11491.8 Ų91.860%0.59754%0.542SS*.Hα-helixtrans-67-42.2175.5-71.4167.7000111.8T779 E780 S785 S786T779-L783 HydrophobicContact CG2-CD1 3.95Å; T779-L783 HydrophobicContact CG2-CG 4.41Å; T779-L783 WeakPolarHBondContact O-CG 3.29Å; T779-L783 PolarHBondContact O-N 2.77Å; E780-L783 PolarHBondContact O-N 2.76Å; L783-S785 VanDerWaalsContact C-N 3.34Å; L783-S785 PolarHBondContact O-N 2.68Å; L783-S786 PolarHBondContact O-N 3.01Å; L783-S786 PolarHBondContact O-OG 2.86Å
784M67.3Low63.8Low117 Ų11797.1 Ų97.158%0.57656%0.564SS**Hα-helixtrans-62.7-39.9172.8-74.1-176.7163.500111.9E780 S786 G787 M795E780-M784 WeakPolarHBondContact O-CG 3.45Å; E780-M784 PolarHBondContact O-N 3.43Å; M784-S786 PolarHBondContact O-N 3.45Å; M784-S786 VanDerWaalsContact O-N 3.13Å; M784-G787 PolarHBondContact O-N 2.99Å; M784-M795 HydrophobicContact SD-CE 4.22Å
785S64.1Low62.3Low75 Ų75100.8 Ų100.852%0.52458%0.582SS.*THydrogen-bonded Turntrans-62.4-17.4176.4-172.10000114.3R781 R782 L783R781-S785 WeakPolarHBondContact O-CB 3.18Å; R781-S785 PolarHBondContact O-N 2.9Å; R782-S785 PolarHBondContact O-N 2.89Å; L783-S785 VanDerWaalsContact C-N 3.34Å; L783-S785 PolarHBondContact O-N 2.68Å
786S57.8Low61.3Low99 Ų9997 Ų9769%0.69257%0.571SS**THydrogen-bonded Turntrans-92.9-2173.538.90000114.5R782 L783 M784R782-S786 PolarHBondContact O-N 3.21Å; R782-S786 PolarHBondContact O-OG 3.33Å; L783-S786 PolarHBondContact O-N 3.01Å; L783-S786 PolarHBondContact O-OG 2.86Å; M784-S786 PolarHBondContact O-N 3.45Å; M784-S786 VanDerWaalsContact O-N 3.13Å
787G58.2Low60.3Low60 Ų60100.2 Ų100.262%0.61958%0.577SS**SBendtrans-130.516.3-16600000116.9M784M784-G787 PolarHBondContact O-N 2.99Å
788S50.9Low60.1Low99 Ų9999.3 Ų99.369%0.69257%0.574SS**  trans-146.1122.6-177.6-670000113.1
789A48.8Very low60.6Low115 Ų11598 Ų9895%0.9557%0.567SS**  trans-118.819.2-177.300000113.1
790S45.5Very low61.3Low105 Ų10594.2 Ų94.273%0.73454%0.544SS*.SBendtrans-116.7136.4-179.743.80000110.9E792S790-E792 PolarHBondContact O-N 3.37Å
791G41.6Very low61.7Low83 Ų8389.4 Ų89.486%0.85652%0.521SS*.  trans-87.5108.1-169.900000114.5
792E45.9Very low62.3Low171 Ų17188.5 Ų88.580%0.79952%0.519SS*.  trans-135.2168.2165.5-86.8-61171.600108.2S790S790-E792 PolarHBondContact O-N 3.37Å
793P39.8Very low63.2Low110 Ų11080.3 Ų80.371%0.71449%0.493SS*.SBendtrans-93.2125.3-134.72.917.5000113.7M795P793-M795 VanDerWaalsContact C-N 3.32Å; P793-M795 PolarHBondContact O-N 3.22Å
794F49.5Very low64Low203 Ų20374.9 Ų74.989%0.8947%0.465SS*.  trans42.446.9155.4-114.2-81.4000116.5V796F794-V796 PolarHBondContact O-N 3.04Å
795M53.9Low64.8Low94 Ų9471.6 Ų71.646%0.46345%0.453SS..  trans-61.9131.3173.4-167.5178.8-171.100110.7M784 P793 F797M784-M795 HydrophobicContact SD-CE 4.22Å; P793-M795 VanDerWaalsContact C-N 3.32Å; P793-M795 PolarHBondContact O-N 3.22Å; M795-F797 WeakPolarHBondContact O-CD2 3.48Å; M795-F797 WeakPolarHBondContact O-CE2 3.15Å; M795-F797 PolarHBondContact O-N 3.47Å
796V58.2Low65.8Low26 Ų2670.5 Ų70.516%0.15844%0.441CS..  trans-71.695.9176.8174.50000109.3R781 F794 S798 R799 D806R781-V796 WeakPolarHBondContact CD-O 3.46Å; R781-V796 PolarHBondContact NH1-O 3.42Å; F794-V796 PolarHBondContact O-N 3.04Å; V796-S798 PolarHBondContact O-N 3.03Å; V796-R799 HydrophobicContact CG1-CG 3.66Å; V796-D806 HydrophobicContact CG1-CB 4.35Å; V796-D806 WeakPolarHBondContact CG1-OD1 3.36Å
797F63.2Low67.1Low113 Ų11366.1 Ų66.150%0.49641%0.41SS..  trans-66.8-33.4-174.9-70.5-79.3000113.6M795 S808M795-F797 WeakPolarHBondContact O-CD2 3.48Å; M795-F797 WeakPolarHBondContact O-CE2 3.15Å; M795-F797 PolarHBondContact O-N 3.47Å; F797-S808 PolarHBondContact N-OG 3.4Å
798S73.8Confident68Low23 Ų2364.6 Ų64.616%0.16139%0.39CS..  trans-151.4142.4177.9-163.40000113V796 I807 S808 N819V796-S798 PolarHBondContact O-N 3.03Å; S798-I807 VanDerWaalsContact C-CG1 3.47Å; S798-I807 WeakPolarHBondContact O-CG1 3.1Å; S798-I807 PolarHBondContact O-N 3.4Å; S798-S808 PolarHBondContact N-OG 3.14Å; S798-S808 PolarHBondContact O-N 3.47Å; S798-N819 PolarHBondContact OG-ND2 2.57Å
799R86.2Confident69.2Low7 Ų764.3 Ų64.33%0.02640%0.402CS..BIsolated β-bridgetrans-120.6144176.1-74.6-178172.6-90.3-2.4110E762 F766 V796 F801 G804 C805E762-R799 IonicContact OE1-CZ 2.77Å; E762-R799 IonicContact OE1-NE 2.77Å; E762-R799 PolarHBondContact OE1-NE 2.92Å; E762-R799 IonicContact OE1-NH2 4Å; E762-R799 IonicContact OE2-CZ 3.22Å; E762-R799 IonicContact OE2-NE 3.21Å; E762-R799 PolarHBondContact OE2-NE 3.22Å; E762-R799 IonicContact OE2-NH2 2.86Å; E762-R799 PolarHBondContact OE2-NH2 2.68Å; F766-R799 HydrophobicContact CD1-CB 4.12Å; F766-R799 HydrophobicContact CD2-CB 4.35Å; F766-R799 HydrophobicContact CE1-CB 3.95Å; F766-R799 HydrophobicContact CE2-CB 4.2Å; F766-R799 HydrophobicContact CG-CB 4.32Å; F766-R799 HydrophobicContact CZ-CB 3.99Å; V796-R799 HydrophobicContact CG1-CG 3.66Å; R799-F801 PolarHBondContact O-N 3.04Å; R799-G804 WeakPolarHBondContact CD-O 3.14Å; R799-G804 WeakPolarHBondContact CG-O 3.48Å; R799-G804 PolarHBondContact NH1-O 3.49Å; R799-C805 WeakPolarHBondContact CA-O 3.41Å
800C89.5Confident70.6Confident0 Ų064.6 Ų64.60%038%0.382CS..  trans-60.5124.1176.7173.30000110.9Q802 C803 G804 C805 I807 C821C800-Q802 VanDerWaalsContact C-N 3.29Å; C800-Q802 PolarHBondContact O-N 3.44Å; C800-C803 PolarHBondContact O-N 3.46Å; C800-C803 PolarHBondContact SG-SG 3.28Å; C800-G804 VanDerWaalsContact O-CA 3.31Å; C800-G804 WeakPolarHBondContact O-CA 3.43Å; C800-G804 PolarHBondContact O-N 3.37Å; C800-C805 PolarHBondContact N-O 3.02Å; C800-I807 HydrophobicContact CB-CG2 4.3Å; C800-C821 HydrophobicContact CB-CB 3.91Å; C800-C821 PolarHBondContact SG-N 2.79Å
801F87.6Confident72.4Confident8 Ų867.5 Ų67.54%0.03539%0.388CS..THydrogen-bonded Turntrans-59.3-36.6-173.6-171.2-98.5000113.7D771 K774 R775 R799 Y818 N819 F820 H829D771-F801 HydrophobicContact CB-CZ 3.92Å; K774-F801 HydrophobicContact CB-CD2 4.18Å; K774-F801 HydrophobicContact CB-CE2 3.6Å; K774-F801 HydrophobicContact CB-CZ 4.48Å; K774-F801 HydrophobicContact CD-CD2 4.4Å; K774-F801 HydrophobicContact CD-CE2 3.91Å; K774-F801 HydrophobicContact CD-CZ 4.2Å; K774-F801 HydrophobicContact CG-CE2 4.41Å; R775-F801 HydrophobicContact CG-CE2 4.43Å; R799-F801 PolarHBondContact O-N 3.04Å; F801-Y818 AromaticContact CD1-CD1 3.69Å; F801-Y818 HydrophobicContact CD1-CD1 3.69Å; F801-Y818 HydrophobicContact CD1-CE1 4.2Å; F801-Y818 HydrophobicContact CD1-CG 4.38Å; F801-Y818 AromaticContact CD2-CD1 3.69Å; F801-Y818 HydrophobicContact CD2-CD1 3.69Å; F801-Y818 HydrophobicContact CD2-CE1 4.18Å; F801-Y818 AromaticContact CE1-CD1 3.7Å; F801-Y818 HydrophobicContact CE1-CD1 3.7Å; F801-Y818 AromaticContact CE1-CE1 3.71Å; F801-Y818 HydrophobicContact CE1-CE1 3.71Å; F801-Y818 AromaticContact CE2-CD1 3.68Å; F801-Y818 HydrophobicContact CE2-CD1 3.68Å; F801-Y818 AromaticContact CE2-CE1 3.67Å; F801-Y818 HydrophobicContact CE2-CE1 3.67Å; F801-Y818 AromaticContact CG-CD1 3.69Å; F801-Y818 HydrophobicContact CG-CD1 3.69Å; F801-Y818 HydrophobicContact CG-CE1 4.42Å; F801-Y818 HydrophobicContact CG-CG 4.49Å; F801-Y818 AromaticContact CZ-CD1 3.69Å; F801-Y818 HydrophobicContact CZ-CD1 3.69Å; F801-Y818 AromaticContact CZ-CE1 3.42Å; F801-Y818 HydrophobicContact CZ-CE1 3.42Å; F801-Y818 VanDerWaalsContact CZ-CE1 3.42Å; F801-N819 PolarHBondContact N-O 3.11Å; F801-F820 HydrophobicContact CB-CD1 4.4Å; F801-F820 HydrophobicContact CB-CE1 3.93Å; F801-F820 HydrophobicContact CB-CZ 4.44Å; F801-F820 HydrophobicContact CD1-CE1 4.3Å; F801-H829 AromaticContact CD1-CD2 3.68Å; F801-H829 AromaticContact CD1-NE2 3.8Å; F801-H829 AromaticContact CE1-CD2 3.82Å; F801-H829 AromaticContact CE1-NE2 3.59Å
802Q87.3Confident74.4Confident30 Ų3065.6 Ų65.614%0.1436%0.36CS..THydrogen-bonded Turntrans-85.8-24.7-176.8168.863.47.900114.6C800 F820 C825 Q828C800-Q802 VanDerWaalsContact C-N 3.29Å; C800-Q802 PolarHBondContact O-N 3.44Å; Q802-F820 HydrophobicContact CB-CD1 3.88Å; Q802-F820 HydrophobicContact CB-CE1 3.9Å; Q802-C825 HydrophobicContact CB-CB 4.08Å; Q802-C825 HydrophobicContact CG-CB 4.13Å; Q802-Q828 HydrophobicContact CG-CB 4.13Å
803C88.5Confident76.5Confident34 Ų3462.1 Ų62.123%0.2334%0.343CS..THydrogen-bonded Turntrans-132.5-0.7-174.975.20000115.5Q763 C800 C805Q763-C803 PolarHBondContact NE2-O 2.99Å; C800-C803 PolarHBondContact O-N 3.46Å; C800-C803 PolarHBondContact SG-SG 3.28Å; C803-C805 PolarHBondContact O-N 2.83Å; C803-C805 VanDerWaalsContact SG-CB 3.57Å
804G85.7Confident78.6Confident0 Ų061.3 Ų61.30%034%0.336CS..  trans67.8-3.3178.600000116R799 C800R799-G804 WeakPolarHBondContact CD-O 3.14Å; R799-G804 WeakPolarHBondContact CG-O 3.48Å; R799-G804 PolarHBondContact NH1-O 3.49Å; C800-G804 VanDerWaalsContact O-CA 3.31Å; C800-G804 WeakPolarHBondContact O-CA 3.43Å; C800-G804 PolarHBondContact O-N 3.37Å
805C86Confident80.3Confident48 Ų4855.4 Ų55.432%0.32431%0.308SS..  trans-62.2140.1179-176.20000111.4R799 C800 C803 I807R799-C805 WeakPolarHBondContact CA-O 3.41Å; C800-C805 PolarHBondContact N-O 3.02Å; C803-C805 PolarHBondContact O-N 2.83Å; C803-C805 VanDerWaalsContact SG-CB 3.57Å; C805-I807 PolarHBondContact O-N 3.08Å
806D83.6Confident81.7Confident52 Ų5258 Ų5828%0.27832%0.321SS..BIsolated β-bridgetrans-62.2129.3177.9178.129.6000112.2V796 S808 K810V796-D806 HydrophobicContact CG1-CB 4.35Å; V796-D806 WeakPolarHBondContact CG1-OD1 3.36Å; D806-S808 WeakPolarHBondContact OD1-CB 3.44Å; D806-S808 PolarHBondContact OD1-N 3.44Å; D806-S808 PolarHBondContact OD1-OG 3.29Å; D806-K810 PolarHBondContact O-NZ 2.6Å
807I85.1Confident82.8Confident7 Ų762.8 Ų62.84%0.03635%0.346CS..  trans-120.810.9176.651.8170.6000112.4S798 C800 C805 G809 K810 P812 N819 C821S798-I807 VanDerWaalsContact C-CG1 3.47Å; S798-I807 WeakPolarHBondContact O-CG1 3.1Å; S798-I807 PolarHBondContact O-N 3.4Å; C800-I807 HydrophobicContact CB-CG2 4.3Å; C805-I807 PolarHBondContact O-N 3.08Å; I807-G809 PolarHBondContact O-N 2.8Å; I807-K810 PolarHBondContact O-N 3.2Å; I807-P812 HydrophobicContact CD1-CB 4.09Å; I807-N819 HydrophobicContact CD1-CB 3.66Å; I807-C821 HydrophobicContact CG2-CB 3.42Å; I807-C821 VanDerWaalsContact CG2-CB 3.42Å
808S78Confident83.9Confident29 Ų2959 Ų5920%0.20333%0.328CS..THydrogen-bonded Turntrans-55.1130.4169.4-49.30000109.9F797 S798 D806 K810F797-S808 PolarHBondContact N-OG 3.4Å; S798-S808 PolarHBondContact N-OG 3.14Å; S798-S808 PolarHBondContact O-N 3.47Å; D806-S808 WeakPolarHBondContact OD1-CB 3.44Å; D806-S808 PolarHBondContact OD1-N 3.44Å; D806-S808 PolarHBondContact OD1-OG 3.29Å; S808-K810 PolarHBondContact O-N 3.4Å
809G74.8Confident84.6Confident93 Ų9359.8 Ų59.896%0.95933%0.331SS*.THydrogen-bonded Turntrans70.47.1-175.200000116I807I807-G809 PolarHBondContact O-N 2.8Å
810K79.3Confident84.8Confident120 Ų12059.4 Ų59.452%0.52233%0.329SS..SBendtrans-116142.4177.4-57.6172-160153.30109.9D806 I807 S808 P812D806-K810 PolarHBondContact O-NZ 2.6Å; I807-K810 PolarHBondContact O-N 3.2Å; S808-K810 PolarHBondContact O-N 3.4Å; K810-P812 VanDerWaalsContact O-CD 3.29Å; K810-P812 WeakPolarHBondContact O-CD 3.34Å
811I82.8Confident84.8Confident167 Ų16761.2 Ų61.286%0.85634%0.342SS*.PPolyproline II helixtrans-71.7116.9172.6-58171.9000108
812P84.8Confident85Confident42 Ų4263.6 Ų63.627%0.27336%0.357SS..PPolyproline II helixtrans-82.9152.2-178.933.6-33.5000111.6I807 K810 T814 N819I807-P812 HydrophobicContact CD1-CB 4.09Å; K810-P812 VanDerWaalsContact O-CD 3.29Å; K810-P812 WeakPolarHBondContact O-CD 3.34Å; P812-T814 HydrophobicContact CG-CG2 4.26Å; P812-T814 PolarHBondContact O-N 2.8Å; P812-N819 HydrophobicContact CB-CB 3.98Å; P812-N819 HydrophobicContact CG-CB 4.43Å
813F88.2Confident85.2Confident99 Ų9965.2 Ų65.243%0.43437%0.371SS..EExtended strand (participates in β ladder)trans-73.8121.1159.6-64.4-92.7000107.9F820 L826F813-F820 HydrophobicContact CB-CB 4.3Å; F813-F820 PolarHBondContact N-O 3.29Å; F813-F820 WeakPolarHBondContact O-CD2 3.45Å; F813-F820 PolarHBondContact O-N 3.27Å; F813-L826 HydrophobicContact CB-CD2 4.33Å
814T84.6Confident85.4Confident93 Ų9368 Ų6857%0.57138%0.384SS*.EExtended strand (participates in β ladder)trans-100.6149.117954.30000111.5P812 Y818P812-T814 HydrophobicContact CG-CG2 4.26Å; P812-T814 PolarHBondContact O-N 2.8Å; T814-Y818 WeakPolarHBondContact CA-O 3.34Å
815Y84.9Confident85.7Confident79 Ų7968.5 Ų68.531%0.3139%0.387SS..EExtended strand (participates in β ladder)trans-159.4113.3169.5173.8-109.3000109.6Y818 L826 R830Y815-Y818 PolarHBondContact N-O 3.14Å; Y815-Y818 VanDerWaalsContact N-O 3.08Å; Y815-Y818 WeakPolarHBondContact O-CD2 3.38Å; Y815-Y818 PolarHBondContact O-N 2.89Å; Y815-L826 HydrophobicContact CD1-CD1 4.19Å; Y815-L826 HydrophobicContact CG-CD1 3.87Å; Y815-R830 HydrophobicContact CD1-CG 4.15Å; Y815-R830 HydrophobicContact CE1-CG 3.82Å
816M82.9Confident85.9Confident148 Ų14867.3 Ų67.373%0.72938%0.378SS*.THydrogen-bonded Turntrans49.3-142-159.4-61.4176.7160.900109Y818M816-Y818 HydrophobicContact CB-CD2 4.34Å; M816-Y818 PolarHBondContact O-N 3.21Å; M816-Y818 VanDerWaalsContact O-N 3.14Å
817D82.6Confident86.3Confident127 Ų12771.5 Ų71.568%0.67939%0.393SS*.THydrogen-bonded Turntrans-78.110.1-176.9-48.5-62.1000114.6
818Y85.6Confident86.5Confident33 Ų3374.9 Ų74.913%0.12941%0.409CS..EExtended strand (participates in β ladder)trans-105.7130.8-171.9-54.3-75000112.9R775 F801 T814 Y815 M816 F820 H829R775-Y818 HydrophobicContact CG-CE1 4.03Å; R775-Y818 PolarHBondContact NH1-OH 3.48Å; F801-Y818 AromaticContact CD1-CD1 3.69Å; F801-Y818 HydrophobicContact CD1-CD1 3.69Å; F801-Y818 HydrophobicContact CD1-CE1 4.2Å; F801-Y818 HydrophobicContact CD1-CG 4.38Å; F801-Y818 AromaticContact CD2-CD1 3.69Å; F801-Y818 HydrophobicContact CD2-CD1 3.69Å; F801-Y818 HydrophobicContact CD2-CE1 4.18Å; F801-Y818 AromaticContact CE1-CD1 3.7Å; F801-Y818 HydrophobicContact CE1-CD1 3.7Å; F801-Y818 AromaticContact CE1-CE1 3.71Å; F801-Y818 HydrophobicContact CE1-CE1 3.71Å; F801-Y818 AromaticContact CE2-CD1 3.68Å; F801-Y818 HydrophobicContact CE2-CD1 3.68Å; F801-Y818 AromaticContact CE2-CE1 3.67Å; F801-Y818 HydrophobicContact CE2-CE1 3.67Å; F801-Y818 AromaticContact CG-CD1 3.69Å; F801-Y818 HydrophobicContact CG-CD1 3.69Å; F801-Y818 HydrophobicContact CG-CE1 4.42Å; F801-Y818 HydrophobicContact CG-CG 4.49Å; F801-Y818 AromaticContact CZ-CD1 3.69Å; F801-Y818 HydrophobicContact CZ-CD1 3.69Å; F801-Y818 AromaticContact CZ-CE1 3.42Å; F801-Y818 HydrophobicContact CZ-CE1 3.42Å; F801-Y818 VanDerWaalsContact CZ-CE1 3.42Å; T814-Y818 WeakPolarHBondContact CA-O 3.34Å; Y815-Y818 PolarHBondContact N-O 3.14Å; Y815-Y818 VanDerWaalsContact N-O 3.08Å; Y815-Y818 WeakPolarHBondContact O-CD2 3.38Å; Y815-Y818 PolarHBondContact O-N 2.89Å; M816-Y818 HydrophobicContact CB-CD2 4.34Å; M816-Y818 PolarHBondContact O-N 3.21Å; M816-Y818 VanDerWaalsContact O-N 3.14Å; Y818-F820 VanDerWaalsContact CB-CZ 3.44Å; Y818-F820 HydrophobicContact CG-CZ 4.35Å; Y818-F820 WeakPolarHBondContact O-CE2 3.44Å; Y818-H829 AromaticContact CD2-CE1 3.73Å; Y818-H829 AromaticContact CE2-CE1 3.91Å
819N88.6Confident87Confident39 Ų3974.1 Ų74.121%0.20940%0.402CS..EExtended strand (participates in β ladder)trans-101.8135177.7-65.5-17.7000111.7M778 S798 F801 I807 P812M778-N819 HydrophobicContact CE-CB 4.14Å; S798-N819 PolarHBondContact OG-ND2 2.57Å; F801-N819 PolarHBondContact N-O 3.11Å; I807-N819 HydrophobicContact CD1-CB 3.66Å; P812-N819 HydrophobicContact CB-CB 3.98Å; P812-N819 HydrophobicContact CG-CB 4.43Å
820F90.1Very high87.6Confident0 Ų074.8 Ų74.80%038%0.376CS..EExtended strand (participates in β ladder)trans-130.4141.9-179.8-53.3-81.2000112.6F801 Q802 F813 Y818 C825 L826 H829F801-F820 HydrophobicContact CB-CD1 4.4Å; F801-F820 HydrophobicContact CB-CE1 3.93Å; F801-F820 HydrophobicContact CB-CZ 4.44Å; F801-F820 HydrophobicContact CD1-CE1 4.3Å; Q802-F820 HydrophobicContact CB-CD1 3.88Å; Q802-F820 HydrophobicContact CB-CE1 3.9Å; F813-F820 HydrophobicContact CB-CB 4.3Å; F813-F820 PolarHBondContact N-O 3.29Å; F813-F820 WeakPolarHBondContact O-CD2 3.45Å; F813-F820 PolarHBondContact O-N 3.27Å; Y818-F820 VanDerWaalsContact CB-CZ 3.44Å; Y818-F820 HydrophobicContact CG-CZ 4.35Å; Y818-F820 WeakPolarHBondContact O-CE2 3.44Å; F820-C825 HydrophobicContact CB-CB 4.08Å; F820-C825 HydrophobicContact CD1-CB 4.16Å; F820-L826 HydrophobicContact CB-CB 4.29Å; F820-L826 HydrophobicContact CD2-CB 4.04Å; F820-L826 HydrophobicContact CD2-CD1 3.81Å; F820-L826 HydrophobicContact CE2-CD1 3.8Å; F820-L826 HydrophobicContact CG-CB 4.16Å; F820-H829 HydrophobicContact CD1-CB 4.48Å; F820-H829 HydrophobicContact CE1-CB 3.52Å; F820-H829 AromaticContact CE1-CD2 3.94Å; F820-H829 AromaticContact CE1-CG 3.7Å; F820-H829 HydrophobicContact CZ-CB 3.58Å; F820-H829 AromaticContact CZ-CD2 3.81Å; F820-H829 AromaticContact CZ-CG 3.4Å; F820-H829 VanDerWaalsContact CZ-CG 3.4Å; F820-H829 AromaticContact CZ-ND1 3.71Å
821C90.9Very high88Confident38 Ų3874 Ų7426%0.25738%0.377SS..SBendtrans-75.2-20.8178.863.20000114.3C800 I807 C825C800-C821 HydrophobicContact CB-CB 3.91Å; C800-C821 PolarHBondContact SG-N 2.79Å; I807-C821 HydrophobicContact CG2-CB 3.42Å; I807-C821 VanDerWaalsContact CG2-CB 3.42Å; C821-C825 VanDerWaalsContact SG-SG 3.67Å
822T91.9Very high88Confident58 Ų5871.5 Ų71.536%0.35636%0.36SS..SBendtrans-147.5156.4-177.862.40000111.3N824 C825 L826T822-N824 PolarHBondContact O-N 2.99Å; T822-C825 PolarHBondContact O-N 3.25Å; T822-C825 VanDerWaalsContact O-N 3.16Å; T822-C825 PolarHBondContact OG1-N 3.07Å; T822-C825 VanDerWaalsContact OG1-N 3.12Å; T822-C825 PolarHBondContact OG1-SG 2.97Å; T822-C825 VanDerWaalsContact OG1-SG 3.35Å; T822-L826 PolarHBondContact O-N 3.09Å; T822-L826 VanDerWaalsContact O-N 3.1Å
823S90.3Very high87.6Confident63 Ų6371.7 Ų71.744%0.44136%0.362SS..Hα-helixtrans-59.1-26.2169.659.90000113.1K827S823-K827 WeakPolarHBondContact O-CB 3.37Å; S823-K827 VanDerWaalsContact O-CG 3.32Å; S823-K827 WeakPolarHBondContact O-CG 3.46Å; S823-K827 PolarHBondContact O-N 3.1Å
824N92.5Very high87.2Confident93 Ų9371.4 Ų71.450%0.49736%0.364SS..Hα-helixtrans-69.8-45.8173.6-168.525000111.8T822 L826 K827 Q828T822-N824 PolarHBondContact O-N 2.99Å; N824-L826 VanDerWaalsContact C-N 3.3Å; N824-L826 PolarHBondContact O-N 3.5Å; N824-K827 PolarHBondContact O-N 2.72Å; N824-Q828 WeakPolarHBondContact O-CG 3.47Å; N824-Q828 PolarHBondContact O-N 3.02Å
825C92.2Very high86.8Confident11 Ų1171.9 Ų71.97%0.07436%0.363CS..Hα-helixtrans-60-40.5174.1-71.30000112.1Q802 F820 C821 T822 Q828 H829Q802-C825 HydrophobicContact CB-CB 4.08Å; Q802-C825 HydrophobicContact CG-CB 4.13Å; F820-C825 HydrophobicContact CB-CB 4.08Å; F820-C825 HydrophobicContact CD1-CB 4.16Å; C821-C825 VanDerWaalsContact SG-SG 3.67Å; T822-C825 PolarHBondContact O-N 3.25Å; T822-C825 VanDerWaalsContact O-N 3.16Å; T822-C825 PolarHBondContact OG1-N 3.07Å; T822-C825 VanDerWaalsContact OG1-N 3.12Å; T822-C825 PolarHBondContact OG1-SG 2.97Å; T822-C825 VanDerWaalsContact OG1-SG 3.35Å; C825-Q828 PolarHBondContact O-N 2.9Å; C825-H829 PolarHBondContact O-N 2.82Å
826L90.9Very high86.1Confident23 Ų2374.5 Ų74.512%0.1238%0.382CS..Hα-helixtrans-61.3-46.5172.9171.760.4000112.3F813 Y815 F820 T822 N824 H829 R830F813-L826 HydrophobicContact CB-CD2 4.33Å; Y815-L826 HydrophobicContact CD1-CD1 4.19Å; Y815-L826 HydrophobicContact CG-CD1 3.87Å; F820-L826 HydrophobicContact CB-CB 4.29Å; F820-L826 HydrophobicContact CD2-CB 4.04Å; F820-L826 HydrophobicContact CD2-CD1 3.81Å; F820-L826 HydrophobicContact CE2-CD1 3.8Å; F820-L826 HydrophobicContact CG-CB 4.16Å; T822-L826 PolarHBondContact O-N 3.09Å; T822-L826 VanDerWaalsContact O-N 3.1Å; N824-L826 VanDerWaalsContact C-N 3.3Å; N824-L826 PolarHBondContact O-N 3.5Å; L826-H829 PolarHBondContact O-N 3.13Å; L826-R830 HydrophobicContact CD1-CG 4.39Å; L826-R830 PolarHBondContact O-N 3.17Å; L826-R830 VanDerWaalsContact O-N 3.08Å
827K91Very high85Confident139 Ų13974.3 Ų74.360%0.60438%0.384SS*.Hα-helixtrans-59.3-47.1176.5-78.8176.2177.3-174.60111.8S823 N824 H829 R830 L831S823-K827 WeakPolarHBondContact O-CB 3.37Å; S823-K827 VanDerWaalsContact O-CG 3.32Å; S823-K827 WeakPolarHBondContact O-CG 3.46Å; S823-K827 PolarHBondContact O-N 3.1Å; N824-K827 PolarHBondContact O-N 2.72Å; K827-H829 VanDerWaalsContact C-N 3.33Å; K827-H829 PolarHBondContact O-N 2.91Å; K827-R830 PolarHBondContact O-N 3.36Å; K827-L831 WeakPolarHBondContact O-CG 3.34Å; K827-L831 PolarHBondContact O-N 3.31Å
828Q89.5Confident83.3Confident78 Ų7881 Ų8136%0.36440%0.4SS..Hα-helixtrans-61.2-39.1178.3-70.5177.8-400112.6Q802 N824 C825 L831 K832Q802-Q828 HydrophobicContact CG-CB 4.13Å; N824-Q828 WeakPolarHBondContact O-CG 3.47Å; N824-Q828 PolarHBondContact O-N 3.02Å; C825-Q828 PolarHBondContact O-N 2.9Å; Q828-L831 PolarHBondContact O-N 3.47Å; Q828-K832 PolarHBondContact O-N 2.99Å; Q828-K832 VanDerWaalsContact O-N 3.09Å
829H88.2Confident83.2Confident14 Ų1483.4 Ų83.47%0.06541%0.414CS..Hα-helixtrans-63.1-48.7175-177.3-92.1000111.8F801 Y818 F820 C825 L826 K827 L831 K832 S833F801-H829 AromaticContact CD1-CD2 3.68Å; F801-H829 AromaticContact CD1-NE2 3.8Å; F801-H829 AromaticContact CE1-CD2 3.82Å; F801-H829 AromaticContact CE1-NE2 3.59Å; Y818-H829 AromaticContact CD2-CE1 3.73Å; Y818-H829 AromaticContact CE2-CE1 3.91Å; F820-H829 HydrophobicContact CD1-CB 4.48Å; F820-H829 HydrophobicContact CE1-CB 3.52Å; F820-H829 AromaticContact CE1-CD2 3.94Å; F820-H829 AromaticContact CE1-CG 3.7Å; F820-H829 HydrophobicContact CZ-CB 3.58Å; F820-H829 AromaticContact CZ-CD2 3.81Å; F820-H829 AromaticContact CZ-CG 3.4Å; F820-H829 VanDerWaalsContact CZ-CG 3.4Å; F820-H829 AromaticContact CZ-ND1 3.71Å; C825-H829 PolarHBondContact O-N 2.82Å; L826-H829 PolarHBondContact O-N 3.13Å; K827-H829 VanDerWaalsContact C-N 3.33Å; K827-H829 PolarHBondContact O-N 2.91Å; H829-L831 VanDerWaalsContact C-N 3.29Å; H829-L831 PolarHBondContact O-N 3.38Å; H829-K832 WeakPolarHBondContact O-CB 3.49Å; H829-K832 PolarHBondContact O-N 3.5Å; H829-K832 VanDerWaalsContact O-N 3.14Å; H829-S833 PolarHBondContact O-N 3.22Å; H829-S833 PolarHBondContact O-OG 2.99Å
830R88.2Confident82.9Confident107 Ų10785.7 Ų85.740%0.40443%0.425SS..Hα-helixtrans-59.3-39.1177-69.8-175.3-178.3179.65.3112.5Y815 L826 K827 S833 I834Y815-R830 HydrophobicContact CD1-CG 4.15Å; Y815-R830 HydrophobicContact CE1-CG 3.82Å; L826-R830 HydrophobicContact CD1-CG 4.39Å; L826-R830 PolarHBondContact O-N 3.17Å; L826-R830 VanDerWaalsContact O-N 3.08Å; K827-R830 PolarHBondContact O-N 3.36Å; R830-S833 PolarHBondContact O-N 3.17Å; R830-I834 WeakPolarHBondContact O-CG1 3.47Å; R830-I834 PolarHBondContact O-N 3.33Å
831L87.1Confident82.5Confident104 Ų10490.5 Ų90.555%0.54545%0.448SS..Hα-helixtrans-63.7-40.3175.6-71.4168.4000112.4K827 Q828 H829 I834 N835K827-L831 WeakPolarHBondContact O-CG 3.34Å; K827-L831 PolarHBondContact O-N 3.31Å; Q828-L831 PolarHBondContact O-N 3.47Å; H829-L831 VanDerWaalsContact C-N 3.29Å; H829-L831 PolarHBondContact O-N 3.38Å; L831-I834 PolarHBondContact O-N 2.88Å; L831-N835 WeakPolarHBondContact O-CB 3.34Å; L831-N835 PolarHBondContact O-N 3.42Å; L831-N835 PolarHBondContact O-OD1 3.38Å
832K83.3Confident82Confident113 Ų11393.6 Ų93.649%0.49146%0.459SS..Hα-helixtrans-60.7-45.5170.9-73.1175170.6178.50111.8Q828 H829 I834 N835 N836Q828-K832 PolarHBondContact O-N 2.99Å; Q828-K832 VanDerWaalsContact O-N 3.09Å; H829-K832 WeakPolarHBondContact O-CB 3.49Å; H829-K832 PolarHBondContact O-N 3.5Å; H829-K832 VanDerWaalsContact O-N 3.14Å; K832-I834 VanDerWaalsContact C-N 3.29Å; K832-I834 PolarHBondContact O-N 2.73Å; K832-N835 PolarHBondContact O-N 3.13Å; K832-N836 PolarHBondContact O-N 3.22Å; K832-N836 PolarHBondContact O-OD1 2.87Å
833S77.1Confident81.4Confident46 Ų4695.8 Ų95.832%0.32247%0.466SS..Hα-helixtrans-61.6-35.3178.3-50.60000113H829 R830H829-S833 PolarHBondContact O-N 3.22Å; H829-S833 PolarHBondContact O-OG 2.99Å; R830-S833 PolarHBondContact O-N 3.17Å
834I79.8Confident80.8Confident93 Ų9398 Ų9848%0.47747%0.468SS..Hα-helixtrans-70.2-42.3175.1-68162.6000110.9R830 L831 K832 N837R830-I834 WeakPolarHBondContact O-CG1 3.47Å; R830-I834 PolarHBondContact O-N 3.33Å; L831-I834 PolarHBondContact O-N 2.88Å; K832-I834 VanDerWaalsContact C-N 3.29Å; K832-I834 PolarHBondContact O-N 2.73Å; I834-N837 PolarHBondContact O-N 2.99Å
835N75.5Confident80Confident104 Ų10498.4 Ų98.456%0.55647%0.465SS*.Hα-helixtrans-72.8-25.2-179.1-72.76.1000113.8L831 K832 N837L831-N835 WeakPolarHBondContact O-CB 3.34Å; L831-N835 PolarHBondContact O-N 3.42Å; L831-N835 PolarHBondContact O-OD1 3.38Å; K832-N835 PolarHBondContact O-N 3.13Å; N835-N837 VanDerWaalsContact C-N 3.32Å
836N69.6Low79.1Confident133 Ų133105.1 Ų105.171%0.71150%0.495SS*.THydrogen-bonded Turntrans-82.3-9.7173.9-72.115000113.2K832K832-N836 PolarHBondContact O-N 3.22Å; K832-N836 PolarHBondContact O-OD1 2.87Å
837N59.6Low78.1Confident144 Ų144111.9 Ų111.977%0.7753%0.527SS*.THydrogen-bonded Turntrans-106.123.9176.4-700.6000111.4I834 N835I834-N837 PolarHBondContact O-N 2.99Å; N835-N837 VanDerWaalsContact C-N 3.32Å
838R48Very low76.9Confident268 Ų268109.5 Ų109.5100%1.01152%0.52SS*.  trans-133.80176.7-83-174.4165.7-162.4-4.5109.6

Retrieved 838 of 838 residues in 179 ms (Link to these results)

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