G4V7B4_SCHMA Loading...

Putative rna binding motif protein 4,lark

AlphaFold DB , UniProt , Accession G4V7B4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 286 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
1M82.8Confident88.2Confident133 Ų13347.5 Ų47.566%0.65525%0.25SS*.  0121.10-166.5-170.8-152.600109.1T29 E30 H41 M42 E43M1-T29 WeakPolarHBondContact CE-OG1 3.46Å; M1-E30 HydrophobicContact CE-CG 4.49Å; M1-H41 HydrophobicContact CE-CB 3.23Å; M1-H41 VanDerWaalsContact CE-CG 3.43Å; M1-H41 HydrophobicContact CG-CB 3.95Å; M1-H41 HydrophobicContact SD-CB 4.15Å; M1-M42 CarbonylContact C-O 3.42Å; M1-M42 WeakPolarHBondContact CA-O 3.48Å; M1-E43 PolarHBondContact N-O 3.06Å; M1-E43 VanDerWaalsContact N-O 3.15Å
2V90.3Very high87.5Confident17 Ų1756.6 Ų56.610%0.10329%0.291CS..EExtended strand (participates in β ladder)trans-111.2136175.7177.90000108.6I4 H41 M42 E45 A48V2-I4 HydrophobicContact CG1-CD1 4.16Å; V2-H41 WeakPolarHBondContact O-CA 3.33Å; V2-M42 PolarHBondContact N-O 3Å; V2-M42 PolarHBondContact O-N 3.39Å; V2-E45 HydrophobicContact CG2-CB 3.59Å; V2-E45 HydrophobicContact CG2-CG 3.97Å; V2-A48 HydrophobicContact CB-CB 3.88Å; V2-A48 HydrophobicContact CG1-CB 3.76Å
3K92.8Very high86.8Confident67 Ų6753.2 Ų53.229%0.29128%0.275SS..EExtended strand (participates in β ladder)trans-97.4126.4177.8-172.1179.2171.5167.90109.1F39 S70K3-F39 HydrophobicContact CD-CD1 4.3Å; K3-F39 HydrophobicContact CG-CD1 4.41Å; K3-S70 WeakPolarHBondContact CD-OG 3.24Å; K3-S70 WeakPolarHBondContact CE-OG 3.47Å; K3-S70 VanDerWaalsContact CG-CB 3.46Å; K3-S70 WeakPolarHBondContact O-CB 3.15Å; K3-S70 PolarHBondContact O-N 3.01Å
4I92.9Very high86.5Confident0 Ų058.4 Ų58.40%030%0.295CS..EExtended strand (participates in β ladder)trans-107137.4175.7-61.2-54000108.3V2 V6 F22 F39 V40 M42 A48 I52 V67V2-I4 HydrophobicContact CG1-CD1 4.16Å; I4-V6 HydrophobicContact CG2-CG2 4.36Å; I4-F22 HydrophobicContact CB-CE1 4.49Å; I4-F22 HydrophobicContact CG2-CE1 3.77Å; I4-F22 HydrophobicContact CG2-CZ 4.02Å; I4-F39 CarbonylContact O-C 3.43Å; I4-F39 VanDerWaalsContact O-CA 3.24Å; I4-F39 WeakPolarHBondContact O-CA 3.45Å; I4-V40 HydrophobicContact CB-CB 4.32Å; I4-V40 PolarHBondContact N-O 2.75Å; I4-V40 PolarHBondContact O-N 3.49Å; I4-M42 HydrophobicContact CG1-CG 4.3Å; I4-A48 HydrophobicContact CD1-CB 3.83Å; I4-A48 HydrophobicContact CG1-CB 4.08Å; I4-I52 HydrophobicContact CD1-CD1 3.51Å; I4-I52 HydrophobicContact CD1-CG1 3.74Å; I4-V67 HydrophobicContact CG2-CG1 3.46Å; I4-V67 VanDerWaalsContact CG2-CG1 3.46Å
5F93.2Very high86.3Confident57 Ų5759.5 Ų59.525%0.2531%0.307CS..EExtended strand (participates in β ladder)trans-100.4133.1172171.2-107.9000109Y37 F39 V67 E68F5-Y37 AromaticContact CE2-CD2 3.94Å; F5-Y37 HydrophobicContact CE2-CD2 3.94Å; F5-Y37 HydrophobicContact CE2-CG 4.02Å; F5-F39 HydrophobicContact CB-CD1 4.33Å; F5-F39 HydrophobicContact CB-CE1 4.26Å; F5-F39 HydrophobicContact CD2-CD1 4.05Å; F5-F39 AromaticContact CD2-CE1 3.52Å; F5-F39 HydrophobicContact CD2-CE1 3.52Å; F5-F39 HydrophobicContact CD2-CZ 4.1Å; F5-F39 HydrophobicContact CE2-CE1 4.37Å; F5-F39 HydrophobicContact CG-CE1 4.34Å; F5-V67 WeakPolarHBondContact O-CA 3.42Å; F5-E68 PolarHBondContact N-O 3.4Å; F5-E68 PolarHBondContact O-N 3.02Å
6V91.3Very high86.5Confident1 Ų159.3 Ų59.31%0.00631%0.313CS..EExtended strand (participates in β ladder)trans-119.6108.7175.2-168.10000108.3I4 L9 L18 F22 Y37 G38 V40 I65 N66 V67I4-V6 HydrophobicContact CG2-CG2 4.36Å; V6-L9 HydrophobicContact CB-CD1 4.49Å; V6-L9 HydrophobicContact CG1-CD1 4.36Å; V6-L9 HydrophobicContact CG1-CD2 3.56Å; V6-L9 HydrophobicContact CG1-CG 4.08Å; V6-L18 HydrophobicContact CG1-CD2 4.37Å; V6-F22 HydrophobicContact CG2-CE2 3.6Å; V6-F22 HydrophobicContact CG2-CZ 3.51Å; V6-Y37 CarbonylContact O-C 3.43Å; V6-Y37 WeakPolarHBondContact O-CA 3.24Å; V6-Y37 WeakPolarHBondContact O-CB 2.97Å; V6-G38 PolarHBondContact N-O 2.99Å; V6-G38 PolarHBondContact O-N 3.04Å; V6-V40 HydrophobicContact CG2-CG2 4.23Å; V6-I65 HydrophobicContact CG1-CB 4.17Å; V6-I65 HydrophobicContact CG1-CD1 4.19Å; V6-N66 CarbonylContact C-O 3.59Å; V6-N66 VanDerWaalsContact CA-O 3.26Å; V6-N66 WeakPolarHBondContact CA-O 3.45Å; V6-V67 HydrophobicContact CG1-CG2 4.27Å
7G91.2Very high86.6Confident5 Ų559 Ų595%0.05231%0.311CS..EExtended strand (participates in β ladder)trans-98.6167.817700000113L9 I65 N66G7-L9 VanDerWaalsContact C-N 3.3Å; G7-L9 PolarHBondContact O-N 3.14Å; G7-I65 WeakPolarHBondContact O-CA 3.34Å; G7-N66 PolarHBondContact N-O 3.39Å; G7-N66 PolarHBondContact O-N 3.35Å
8N90.2Very high86.6Confident100 Ų10056 Ų5654%0.53530%0.295SS..SBendtrans56.541.6177.4-158.347.6000113.3N36 V63 K64N8-N36 PolarHBondContact N-O 3.45Å; N8-V63 VanDerWaalsContact ND2-CG1 3.27Å; N8-V63 WeakPolarHBondContact ND2-CG1 3.05Å; N8-V63 WeakPolarHBondContact O-CG1 3.35Å; N8-K64 PolarHBondContact ND2-O 2.98Å
9L85.4Confident86.8Confident5 Ų559.3 Ų59.33%0.02630%0.303CS..  trans-76.8140.9171.8-62177.4000109.6V6 G7 L18 V33 N36 I65V6-L9 HydrophobicContact CB-CD1 4.49Å; V6-L9 HydrophobicContact CG1-CD1 4.36Å; V6-L9 HydrophobicContact CG1-CD2 3.56Å; V6-L9 HydrophobicContact CG1-CG 4.08Å; G7-L9 VanDerWaalsContact C-N 3.3Å; G7-L9 PolarHBondContact O-N 3.14Å; L9-L18 HydrophobicContact CD1-CD1 3.43Å; L9-L18 VanDerWaalsContact CD1-CD1 3.43Å; L9-L18 HydrophobicContact CD2-CD1 3.8Å; L9-L18 HydrophobicContact CD2-CD2 3.5Å; L9-L18 HydrophobicContact CD2-CG 4.25Å; L9-L18 HydrophobicContact CG-CD1 4.23Å; L9-V33 HydrophobicContact CD1-CG1 4.25Å; L9-N36 WeakPolarHBondContact CB-O 3.47Å; L9-N36 PolarHBondContact N-O 2.97Å; L9-I65 HydrophobicContact CD2-CB 4.33Å; L9-I65 HydrophobicContact CD2-CG2 3.69Å
10N83.1Confident87Confident46 Ų4663 Ų6325%0.24632%0.317CS..  trans-69.2134.2168.7-171.2-2.8000108.2E12 S13 V63N10-E12 PolarHBondContact O-N 2.74Å; N10-E12 VanDerWaalsContact O-N 3.13Å; N10-E12 PolarHBondContact OD1-N 3.09Å; N10-S13 VanDerWaalsContact O-CB 3.26Å; N10-S13 WeakPolarHBondContact O-CB 3.47Å; N10-S13 PolarHBondContact O-N 2.78Å; N10-S13 PolarHBondContact O-OG 3.17Å; N10-V63 HydrophobicContact CB-CG2 4.07Å
11P76.9Confident87Confident91 Ų9164.2 Ų64.259%0.59132%0.321SS*.THydrogen-bonded Turntrans-55-26.5171.618.9-33.6000113.5
12E80.4Confident87.4Confident157 Ų15757.9 Ų57.973%0.73429%0.289SS*.THydrogen-bonded Turntrans-83.5-9.1174.2-61.8-65.9132.800113.5N10N10-E12 PolarHBondContact O-N 2.74Å; N10-E12 VanDerWaalsContact O-N 3.13Å; N10-E12 PolarHBondContact OD1-N 3.09Å
13S77.4Confident87.4Confident12 Ų1261 Ų618%0.08430%0.303CS..SBendtrans-69.2134.6178.868.30000110.4N10 D61N10-S13 VanDerWaalsContact O-CB 3.26Å; N10-S13 WeakPolarHBondContact O-CB 3.47Å; N10-S13 PolarHBondContact O-N 2.78Å; N10-S13 PolarHBondContact O-OG 3.17Å; S13-D61 WeakPolarHBondContact CA-OD2 3.4Å; S13-D61 WeakPolarHBondContact CB-OD2 3.26Å
14K83.4Confident87.2Confident127 Ų12761.9 Ų61.955%0.55232%0.323SS*.  trans-82135.4-175-63176.7-179.8169.60110.5S16 D17 L18K14-S16 WeakPolarHBondContact CB-OG 3.49Å; K14-S16 PolarHBondContact O-N 2.95Å; K14-S16 VanDerWaalsContact O-N 3.13Å; K14-D17 HydrophobicContact CB-CB 4.47Å; K14-D17 PolarHBondContact O-N 3.22Å; K14-L18 PolarHBondContact O-N 3.29Å
15P83.5Confident87Confident74 Ų7465.4 Ų65.448%0.48134%0.338SS..Hα-helixtrans-59.2-28.1173.125.1-34.3000112D17 R19 V33P15-D17 VanDerWaalsContact C-N 3.31Å; P15-D17 PolarHBondContact O-N 3.06Å; P15-R19 PolarHBondContact O-N 3.21Å; P15-V33 HydrophobicContact CB-CG2 3.83Å
16S88.7Confident86.9Confident57 Ų5763.3 Ų63.340%0.39933%0.333SS..Hα-helixtrans-62.8-36.4174.858.20000113K14 R19 K20K14-S16 WeakPolarHBondContact CB-OG 3.49Å; K14-S16 PolarHBondContact O-N 2.95Å; K14-S16 VanDerWaalsContact O-N 3.13Å; S16-R19 PolarHBondContact O-N 3.24Å; S16-K20 VanDerWaalsContact O-CG 3.31Å; S16-K20 WeakPolarHBondContact O-CG 3.44Å; S16-K20 PolarHBondContact O-N 3.4Å
17D88.1Confident87Confident54 Ų5469.2 Ų69.229%0.28936%0.359SS..Hα-helixtrans-78.2-35.2-175.7-63.4-24.3000110.4K14 P15 K20 K21K14-D17 HydrophobicContact CB-CB 4.47Å; K14-D17 PolarHBondContact O-N 3.22Å; P15-D17 VanDerWaalsContact C-N 3.31Å; P15-D17 PolarHBondContact O-N 3.06Å; D17-K20 PolarHBondContact O-N 2.84Å; D17-K21 VanDerWaalsContact O-CG 3.26Å; D17-K21 WeakPolarHBondContact O-CG 3.47Å; D17-K21 PolarHBondContact O-N 3.07Å
18L86.8Confident87Confident5 Ų569.6 Ų69.63%0.02636%0.36CS..Hα-helixtrans-59-52.1167.7-65.2171.5000110.8V6 L9 K14 K20 K21 F22 V33 L60V6-L18 HydrophobicContact CG1-CD2 4.37Å; L9-L18 HydrophobicContact CD1-CD1 3.43Å; L9-L18 VanDerWaalsContact CD1-CD1 3.43Å; L9-L18 HydrophobicContact CD2-CD1 3.8Å; L9-L18 HydrophobicContact CD2-CD2 3.5Å; L9-L18 HydrophobicContact CD2-CG 4.25Å; L9-L18 HydrophobicContact CG-CD1 4.23Å; K14-L18 PolarHBondContact O-N 3.29Å; L18-K20 VanDerWaalsContact C-N 3.32Å; L18-K20 PolarHBondContact O-N 3.24Å; L18-K21 WeakPolarHBondContact O-CB 3.36Å; L18-K21 PolarHBondContact O-N 2.86Å; L18-K21 VanDerWaalsContact O-N 3.1Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.35Å; L18-F22 PolarHBondContact O-N 3.3Å; L18-F22 VanDerWaalsContact O-N 3.07Å; L18-V33 HydrophobicContact CD1-CG2 4Å; L18-L60 HydrophobicContact CD2-CD1 3.47Å; L18-L60 VanDerWaalsContact CD2-CD1 3.47Å
19R90.1Very high87.1Confident118 Ų11867.6 Ų67.645%0.44535%0.351SS..Hα-helixtrans-55.4-46.8178.4-177.7175169.1-126.9-7.9112P15 S16 K21 F22 E23P15-R19 PolarHBondContact O-N 3.21Å; S16-R19 PolarHBondContact O-N 3.24Å; R19-K21 VanDerWaalsContact C-N 3.32Å; R19-K21 PolarHBondContact O-N 3.05Å; R19-F22 PolarHBondContact O-N 3.01Å; R19-E23 HydrophobicContact CG-CG 4.2Å; R19-E23 IonicContact CZ-OE1 2.65Å; R19-E23 IonicContact NE-OE1 3.85Å; R19-E23 PolarHBondContact NE-OE1 2.97Å; R19-E23 IonicContact NH1-OE1 2.79Å; R19-E23 IonicContact NH2-OE1 2.72Å; R19-E23 PolarHBondContact NH2-OE1 3.06Å; R19-E23 WeakPolarHBondContact O-CB 3.27Å; R19-E23 WeakPolarHBondContact O-CG 3.17Å; R19-E23 PolarHBondContact O-N 2.61Å
20K91Very high87.3Confident134 Ų13473 Ų7358%0.58338%0.377SS*.Hα-helixtrans-60.4-38.7177.5-75.1174.3-179179.10113.2S16 D17 L18 A24S16-K20 VanDerWaalsContact O-CG 3.31Å; S16-K20 WeakPolarHBondContact O-CG 3.44Å; S16-K20 PolarHBondContact O-N 3.4Å; D17-K20 PolarHBondContact O-N 2.84Å; L18-K20 VanDerWaalsContact C-N 3.32Å; L18-K20 PolarHBondContact O-N 3.24Å; K20-A24 PolarHBondContact O-N 2.66Å
21K88.4Confident87.6Confident89 Ų8973.5 Ų73.539%0.38738%0.383SS..Hα-helixtrans-64.3-43.3177.3-74.2-81.6176.6166.20111.3D17 L18 R19 F25 L55 L60D17-K21 VanDerWaalsContact O-CG 3.26Å; D17-K21 WeakPolarHBondContact O-CG 3.47Å; D17-K21 PolarHBondContact O-N 3.07Å; L18-K21 WeakPolarHBondContact O-CB 3.36Å; L18-K21 PolarHBondContact O-N 2.86Å; L18-K21 VanDerWaalsContact O-N 3.1Å; R19-K21 VanDerWaalsContact C-N 3.32Å; R19-K21 PolarHBondContact O-N 3.05Å; K21-F25 WeakPolarHBondContact O-CD2 3.41Å; K21-L55 HydrophobicContact CB-CD1 4.14Å; K21-L55 HydrophobicContact CB-CD2 4.25Å; K21-L55 HydrophobicContact CD-CD2 4.1Å; K21-L60 HydrophobicContact CD-CD2 4.33Å; K21-L60 HydrophobicContact CG-CD2 4.25Å
22F89.6Confident88.3Confident0 Ų073.2 Ų73.20%038%0.376CS..Hα-helixtrans-73.7-34177.3-77.9-82.9000113.1I4 V6 L18 R19 A24 F25 G26 V28 V40 A51 L55 V67I4-F22 HydrophobicContact CB-CE1 4.49Å; I4-F22 HydrophobicContact CG2-CE1 3.77Å; I4-F22 HydrophobicContact CG2-CZ 4.02Å; V6-F22 HydrophobicContact CG2-CE2 3.6Å; V6-F22 HydrophobicContact CG2-CZ 3.51Å; L18-F22 VanDerWaalsContact O-CD2 3.27Å; L18-F22 WeakPolarHBondContact O-CD2 3.35Å; L18-F22 PolarHBondContact O-N 3.3Å; L18-F22 VanDerWaalsContact O-N 3.07Å; R19-F22 PolarHBondContact O-N 3.01Å; F22-A24 PolarHBondContact O-N 2.92Å; F22-F25 PolarHBondContact O-N 3.05Å; F22-G26 PolarHBondContact O-N 2.89Å; F22-V28 HydrophobicContact CB-CG2 3.52Å; F22-V40 HydrophobicContact CB-CG1 4.04Å; F22-V40 HydrophobicContact CD1-CB 4.42Å; F22-V40 HydrophobicContact CD1-CG1 4.11Å; F22-V40 HydrophobicContact CD2-CB 4.44Å; F22-V40 HydrophobicContact CD2-CG1 4.35Å; F22-V40 HydrophobicContact CD2-CG2 3.76Å; F22-V40 HydrophobicContact CE2-CG2 3.9Å; F22-V40 HydrophobicContact CG-CB 4.35Å; F22-V40 HydrophobicContact CG-CG1 3.89Å; F22-V40 HydrophobicContact CG-CG2 4.14Å; F22-V40 HydrophobicContact CZ-CG2 4.37Å; F22-A51 HydrophobicContact CD1-CB 3.86Å; F22-A51 HydrophobicContact CE1-CB 3.98Å; F22-L55 HydrophobicContact CD1-CD1 4.01Å; F22-L55 HydrophobicContact CD2-CD1 4.24Å; F22-L55 HydrophobicContact CE1-CD1 3.91Å; F22-L55 HydrophobicContact CE2-CD1 4.14Å; F22-L55 HydrophobicContact CG-CD1 4.16Å; F22-L55 HydrophobicContact CZ-CD1 3.97Å; F22-V67 HydrophobicContact CE1-CG1 3.85Å; F22-V67 HydrophobicContact CZ-CG1 3.68Å; F22-V67 HydrophobicContact CZ-CG2 3.95Å
23E90.8Very high88.7Confident81 Ų8168.3 Ų68.338%0.37936%0.357SS..Hα-helixtrans-60.3-24.3175.4-81.3-178.9164.200113.5R19 F25 G26 V28R19-E23 HydrophobicContact CG-CG 4.2Å; R19-E23 IonicContact CZ-OE1 2.65Å; R19-E23 IonicContact NE-OE1 3.85Å; R19-E23 PolarHBondContact NE-OE1 2.97Å; R19-E23 IonicContact NH1-OE1 2.79Å; R19-E23 IonicContact NH2-OE1 2.72Å; R19-E23 PolarHBondContact NH2-OE1 3.06Å; R19-E23 WeakPolarHBondContact O-CB 3.27Å; R19-E23 WeakPolarHBondContact O-CG 3.17Å; R19-E23 PolarHBondContact O-N 2.61Å; E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.31Å; E23-G26 VanDerWaalsContact CA-O 3.26Å; E23-G26 WeakPolarHBondContact CA-O 3.47Å; E23-V28 HydrophobicContact CG-CB 4.37Å; E23-V28 HydrophobicContact CG-CG2 4.05Å
24A89.4Confident89.2Confident86 Ų8669.8 Ų69.871%0.71137%0.365SS*.THydrogen-bonded Turntrans-68.8-25.2175.500000113.5K20 F22K20-A24 PolarHBondContact O-N 2.66Å; F22-A24 PolarHBondContact O-N 2.92Å
25F89.4Confident89.3Confident74 Ų7469.9 Ų69.933%0.32537%0.372SS..THydrogen-bonded Turntrans-98.7-25.8-179.9-65.2-90.4000112.7K21 F22 E23 A50 A51 L55K21-F25 WeakPolarHBondContact O-CD2 3.41Å; F22-F25 PolarHBondContact O-N 3.05Å; E23-F25 VanDerWaalsContact C-N 3.29Å; E23-F25 PolarHBondContact O-N 3.31Å; F25-A50 HydrophobicContact CD1-CB 4.22Å; F25-A50 WeakPolarHBondContact CD1-O 3.31Å; F25-A50 WeakPolarHBondContact CE1-O 3.26Å; F25-A51 HydrophobicContact CB-CB 3.77Å; F25-A51 HydrophobicContact CD1-CB 4.45Å; F25-A51 HydrophobicContact CD2-CB 4.15Å; F25-A51 HydrophobicContact CG-CB 3.87Å; F25-L55 HydrophobicContact CD2-CD1 3.88Å; F25-L55 HydrophobicContact CD2-CG 4.11Å; F25-L55 HydrophobicContact CE2-CD1 3.65Å; F25-L55 HydrophobicContact CE2-CD2 3.67Å; F25-L55 HydrophobicContact CE2-CG 3.4Å; F25-L55 VanDerWaalsContact CE2-CG 3.4Å; F25-L55 HydrophobicContact CZ-CD2 4.2Å; F25-L55 HydrophobicContact CZ-CG 3.93Å
26G90.4Very high89.6Confident14 Ų1470.5 Ų70.514%0.14437%0.371CS..SBendtrans178.2-177.2-178.700000113.7F22 E23 V28 E47F22-G26 PolarHBondContact O-N 2.89Å; E23-G26 VanDerWaalsContact CA-O 3.26Å; E23-G26 WeakPolarHBondContact CA-O 3.47Å; G26-V28 PolarHBondContact O-N 2.96Å; G26-E47 WeakPolarHBondContact CA-OE2 3.27Å
27K92.1Very high89.7Confident125 Ų12572.2 Ų72.254%0.54337%0.369SS..  trans-82.9112.9-176-171.9172.5167.9-142.30110.9E43 E47K27-E43 HydrophobicContact CB-CG 4.5Å; K27-E43 WeakPolarHBondContact CD-OE1 3.42Å; K27-E43 VanDerWaalsContact CE-OE1 3.31Å; K27-E43 WeakPolarHBondContact CE-OE1 3.38Å; K27-E43 IonicContact NZ-OE1 2.9Å; K27-E43 PolarHBondContact NZ-OE1 2.9Å; K27-E43 IonicContact NZ-OE2 3.85Å; K27-E43 PolarHBondContact O-N 3.43Å; K27-E47 PolarHBondContact N-OE2 2.91Å
28V91.2Very high89.9Confident13 Ų1369.7 Ų69.78%0.07936%0.357CS..EExtended strand (participates in β ladder)trans-76.7119.5171.2-179.70000109F22 E23 G26 C31 V40 M42F22-V28 HydrophobicContact CB-CG2 3.52Å; E23-V28 HydrophobicContact CG-CB 4.37Å; E23-V28 HydrophobicContact CG-CG2 4.05Å; G26-V28 PolarHBondContact O-N 2.96Å; V28-C31 HydrophobicContact CG1-CB 4.3Å; V28-V40 HydrophobicContact CB-CG1 4.37Å; V28-V40 HydrophobicContact CG1-CG1 3.7Å; V28-V40 HydrophobicContact CG2-CG1 3.84Å; V28-M42 HydrophobicContact CB-SD 4.49Å; V28-M42 HydrophobicContact CG2-SD 3.76Å
29T92.5Very high90.2Very high58 Ų5871.3 Ų71.336%0.35636%0.363SS..EExtended strand (participates in β ladder)trans-82.4-43.5173.749.90000111.3M1 H41 E43M1-T29 WeakPolarHBondContact CE-OG1 3.46Å; T29-H41 PolarHBondContact N-O 2.83Å; T29-H41 WeakPolarHBondContact OG1-CB 3.16Å; T29-H41 PolarHBondContact OG1-O 2.77Å; T29-E43 HydrophobicContact CG2-CB 4.49Å; T29-E43 HydrophobicContact CG2-CG 3.26Å
30E89.6Confident90.3Very high119 Ų11965.9 Ų65.956%0.55634%0.343SS*.EExtended strand (participates in β ladder)trans-146.1140.8-178.4-66.3-178.7-166.200110.5M1 H41M1-E30 HydrophobicContact CE-CG 4.49Å; E30-H41 HydrophobicContact CB-CB 4.22Å; E30-H41 PolarHBondContact O-N 2.86Å
31C89.7Confident90.4Very high55 Ų5561.2 Ų61.237%0.37232%0.324SS..EExtended strand (participates in β ladder)trans-127.1127.1170.962.20000109.6V28 F39V28-C31 HydrophobicContact CG1-CB 4.3Å; C31-F39 WeakPolarHBondContact CA-O 3.25Å
32D91.3Very high90.6Very high86 Ų8657 Ų5746%0.4631%0.305SS..EExtended strand (participates in β ladder)trans-122.2134.7177.4-176.222.6000108.8G38 F39D32-G38 CarbonylContact O-C 3.58Å; D32-G38 WeakPolarHBondContact O-CA 3.49Å; D32-F39 PolarHBondContact N-O 2.85Å; D32-F39 PolarHBondContact O-N 3.2Å
33V89.4Confident90.7Very high53 Ų5360.8 Ų60.832%0.32132%0.323SS..EExtended strand (participates in β ladder)trans-127.5124-179.2-178.70000108.3L9 P15 L18L9-V33 HydrophobicContact CD1-CG1 4.25Å; P15-V33 HydrophobicContact CB-CG2 3.83Å; L18-V33 HydrophobicContact CD1-CG2 4Å
34V88.7Confident90.8Very high43 Ų4362.7 Ų62.726%0.26133%0.33SS..EExtended strand (participates in β ladder)trans-125.1102.5-175.5-175.40000108.7N36 Y37V34-N36 PolarHBondContact O-N 2.83Å; V34-Y37 CarbonylContact C-O 3.44Å; V34-Y37 WeakPolarHBondContact CA-O 3.15Å; V34-Y37 HydrophobicContact CB-CD2 4.18Å; V34-Y37 HydrophobicContact CB-CE2 3.66Å; V34-Y37 HydrophobicContact CG1-CE1 4.33Å; V34-Y37 HydrophobicContact CG1-CE2 3.98Å; V34-Y37 WeakPolarHBondContact CG1-OH 3.26Å; V34-Y37 HydrophobicContact CG2-CE2 4.33Å; V34-Y37 PolarHBondContact N-O 3.34Å; V34-Y37 WeakPolarHBondContact O-CD1 3.39Å; V34-Y37 PolarHBondContact O-N 3.07Å
35N85.7Confident90.8Very high129 Ų12962.7 Ų62.769%0.6932%0.315SS*.THydrogen-bonded Turntrans54-101.5-179.2-57-40.1000112.2
36N88.2Confident91Very high87 Ų8763.4 Ų63.447%0.46533%0.329SS..THydrogen-bonded Turntrans-107.511.4-173.9-52.2-31.2000112.6N8 L9 V34N8-N36 PolarHBondContact N-O 3.45Å; L9-N36 WeakPolarHBondContact CB-O 3.47Å; L9-N36 PolarHBondContact N-O 2.97Å; V34-N36 PolarHBondContact O-N 2.83Å
37Y91.1Very high91Very high93 Ų9364.3 Ų64.337%0.36533%0.33SS..EExtended strand (participates in β ladder)trans-144.9162.8176.961.1-91.6000111F5 V6 V34 F39F5-Y37 AromaticContact CE2-CD2 3.94Å; F5-Y37 HydrophobicContact CE2-CD2 3.94Å; F5-Y37 HydrophobicContact CE2-CG 4.02Å; V6-Y37 CarbonylContact O-C 3.43Å; V6-Y37 WeakPolarHBondContact O-CA 3.24Å; V6-Y37 WeakPolarHBondContact O-CB 2.97Å; V34-Y37 CarbonylContact C-O 3.44Å; V34-Y37 WeakPolarHBondContact CA-O 3.15Å; V34-Y37 HydrophobicContact CB-CD2 4.18Å; V34-Y37 HydrophobicContact CB-CE2 3.66Å; V34-Y37 HydrophobicContact CG1-CE1 4.33Å; V34-Y37 HydrophobicContact CG1-CE2 3.98Å; V34-Y37 WeakPolarHBondContact CG1-OH 3.26Å; V34-Y37 HydrophobicContact CG2-CE2 4.33Å; V34-Y37 PolarHBondContact N-O 3.34Å; V34-Y37 WeakPolarHBondContact O-CD1 3.39Å; V34-Y37 PolarHBondContact O-N 3.07Å; Y37-F39 HydrophobicContact CD2-CE2 4.07Å; Y37-F39 HydrophobicContact CD2-CZ 4.25Å; Y37-F39 AromaticContact CE2-CE2 3.85Å; Y37-F39 HydrophobicContact CE2-CE2 3.85Å; Y37-F39 HydrophobicContact CE2-CZ 4.17Å
38G92.3Very high90.9Very high2 Ų258.3 Ų58.32%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-144.7165.4-177.900000112.3V6 D32V6-G38 PolarHBondContact N-O 2.99Å; V6-G38 PolarHBondContact O-N 3.04Å; D32-G38 CarbonylContact O-C 3.58Å; D32-G38 WeakPolarHBondContact O-CA 3.49Å
39F93.7Very high91Very high38 Ų3862 Ų6217%0.16732%0.32CS..EExtended strand (participates in β ladder)trans-126.6132.3174.4-61.2-70.2000109.9K3 I4 F5 C31 D32 Y37K3-F39 HydrophobicContact CD-CD1 4.3Å; K3-F39 HydrophobicContact CG-CD1 4.41Å; I4-F39 CarbonylContact O-C 3.43Å; I4-F39 VanDerWaalsContact O-CA 3.24Å; I4-F39 WeakPolarHBondContact O-CA 3.45Å; F5-F39 HydrophobicContact CB-CD1 4.33Å; F5-F39 HydrophobicContact CB-CE1 4.26Å; F5-F39 HydrophobicContact CD2-CD1 4.05Å; F5-F39 AromaticContact CD2-CE1 3.52Å; F5-F39 HydrophobicContact CD2-CE1 3.52Å; F5-F39 HydrophobicContact CD2-CZ 4.1Å; F5-F39 HydrophobicContact CE2-CE1 4.37Å; F5-F39 HydrophobicContact CG-CE1 4.34Å; C31-F39 WeakPolarHBondContact CA-O 3.25Å; D32-F39 PolarHBondContact N-O 2.85Å; D32-F39 PolarHBondContact O-N 3.2Å; Y37-F39 HydrophobicContact CD2-CE2 4.07Å; Y37-F39 HydrophobicContact CD2-CZ 4.25Å; Y37-F39 AromaticContact CE2-CE2 3.85Å; Y37-F39 HydrophobicContact CE2-CE2 3.85Å; Y37-F39 HydrophobicContact CE2-CZ 4.17Å
40V92.5Very high90.9Very high5 Ų561.3 Ų61.33%0.0332%0.32CS..EExtended strand (participates in β ladder)trans-119.7128.9176.7-178.20000108I4 V6 F22 V28 M42I4-V40 HydrophobicContact CB-CB 4.32Å; I4-V40 PolarHBondContact N-O 2.75Å; I4-V40 PolarHBondContact O-N 3.49Å; V6-V40 HydrophobicContact CG2-CG2 4.23Å; F22-V40 HydrophobicContact CB-CG1 4.04Å; F22-V40 HydrophobicContact CD1-CB 4.42Å; F22-V40 HydrophobicContact CD1-CG1 4.11Å; F22-V40 HydrophobicContact CD2-CB 4.44Å; F22-V40 HydrophobicContact CD2-CG1 4.35Å; F22-V40 HydrophobicContact CD2-CG2 3.76Å; F22-V40 HydrophobicContact CE2-CG2 3.9Å; F22-V40 HydrophobicContact CG-CB 4.35Å; F22-V40 HydrophobicContact CG-CG1 3.89Å; F22-V40 HydrophobicContact CG-CG2 4.14Å; F22-V40 HydrophobicContact CZ-CG2 4.37Å; V28-V40 HydrophobicContact CB-CG1 4.37Å; V28-V40 HydrophobicContact CG1-CG1 3.7Å; V28-V40 HydrophobicContact CG2-CG1 3.84Å; V40-M42 HydrophobicContact CG1-CG 4.48Å; V40-M42 HydrophobicContact CG1-SD 4.01Å
41H93.1Very high91Very high36 Ų3655.7 Ų55.717%0.16729%0.294CS..EExtended strand (participates in β ladder)trans-101.7125.3173.9-62.989.4000109.6M1 V2 T29 E30M1-H41 HydrophobicContact CE-CB 3.23Å; M1-H41 VanDerWaalsContact CE-CG 3.43Å; M1-H41 HydrophobicContact CG-CB 3.95Å; M1-H41 HydrophobicContact SD-CB 4.15Å; V2-H41 WeakPolarHBondContact O-CA 3.33Å; T29-H41 PolarHBondContact N-O 2.83Å; T29-H41 WeakPolarHBondContact OG1-CB 3.16Å; T29-H41 PolarHBondContact OG1-O 2.77Å; E30-H41 HydrophobicContact CB-CB 4.22Å; E30-H41 PolarHBondContact O-N 2.86Å
42M92.2Very high91.1Very high0 Ų054.7 Ų54.70%029%0.285CS..EExtended strand (participates in β ladder)trans-108.5147.5179.3-60.7-65.2-70.800109.5M1 V2 I4 V28 V40 E47 A48M1-M42 CarbonylContact C-O 3.42Å; M1-M42 WeakPolarHBondContact CA-O 3.48Å; V2-M42 PolarHBondContact N-O 3Å; V2-M42 PolarHBondContact O-N 3.39Å; I4-M42 HydrophobicContact CG1-CG 4.3Å; V28-M42 HydrophobicContact CB-SD 4.49Å; V28-M42 HydrophobicContact CG2-SD 3.76Å; V40-M42 HydrophobicContact CG1-CG 4.48Å; V40-M42 HydrophobicContact CG1-SD 4.01Å; M42-E47 HydrophobicContact CE-CB 3.97Å; M42-A48 HydrophobicContact CB-CB 3.95Å; M42-A48 HydrophobicContact CG-CB 3.96Å
43E91.5Very high91Very high80 Ų8058.6 Ų58.637%0.37430%0.3SS..SBendtrans-65.6-52.3176.2-66.8-171.9169.600111.3M1 K27 T29M1-E43 PolarHBondContact N-O 3.06Å; M1-E43 VanDerWaalsContact N-O 3.15Å; K27-E43 HydrophobicContact CB-CG 4.5Å; K27-E43 WeakPolarHBondContact CD-OE1 3.42Å; K27-E43 VanDerWaalsContact CE-OE1 3.31Å; K27-E43 WeakPolarHBondContact CE-OE1 3.38Å; K27-E43 IonicContact NZ-OE1 2.9Å; K27-E43 PolarHBondContact NZ-OE1 2.9Å; K27-E43 IonicContact NZ-OE2 3.85Å; K27-E43 PolarHBondContact O-N 3.43Å; T29-E43 HydrophobicContact CG2-CB 4.49Å; T29-E43 HydrophobicContact CG2-CG 3.26Å
44K92.5Very high90.9Very high121 Ų12158.3 Ų58.353%0.52631%0.308SS..  trans-104.3148.8-175.5-55.1-169.8-162.8130.30112.6E47 A48K44-E47 HydrophobicContact CB-CB 4.32Å; K44-E47 HydrophobicContact CB-CG 4.09Å; K44-E47 HydrophobicContact CD-CG 4.47Å; K44-E47 VanDerWaalsContact CD-OE1 3.3Å; K44-E47 WeakPolarHBondContact CD-OE1 3.43Å; K44-E47 WeakPolarHBondContact CE-OE1 3.45Å; K44-E47 IonicContact NZ-OE1 2.73Å; K44-E47 PolarHBondContact NZ-OE1 3.02Å; K44-A48 PolarHBondContact O-N 2.83Å
45E90.4Very high90.9Very high85 Ų8556.6 Ų56.640%0.39730%0.297SS..Hα-helixtrans-72.4-42.8176.4-177.2161.9-155.400112.7V2 E47 A48 E49 R69V2-E45 HydrophobicContact CG2-CB 3.59Å; V2-E45 HydrophobicContact CG2-CG 3.97Å; E45-E47 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 3.13Å; E45-A48 CarbonylContact O-C 3.58Å; E45-A48 WeakPolarHBondContact O-CA 3.43Å; E45-A48 VanDerWaalsContact O-CB 3.3Å; E45-A48 WeakPolarHBondContact O-CB 3.33Å; E45-A48 PolarHBondContact O-N 3.27Å; E45-E49 HydrophobicContact CG-CG 4.42Å; E45-E49 PolarHBondContact O-N 3.28Å; E45-R69 IonicContact OE1-CZ 2.98Å; E45-R69 IonicContact OE1-NH1 3.98Å; E45-R69 PolarHBondContact OE1-NH1 3.32Å; E45-R69 IonicContact OE1-NH2 2.67Å; E45-R69 PolarHBondContact OE1-NH2 3.43Å
46S92.2Very high91Very high89 Ų8953.4 Ų53.462%0.62228%0.278SS*.Hα-helixtrans-58.9-40.9177.91730000112.8A48 E49 A50S46-A48 VanDerWaalsContact C-N 3.29Å; S46-A48 PolarHBondContact O-N 2.63Å; S46-E49 PolarHBondContact O-N 2.83Å; S46-A50 WeakPolarHBondContact O-CB 3.48Å; S46-A50 PolarHBondContact O-N 3.02Å
47E91Very high90.8Very high33 Ų3353.8 Ų53.815%0.15428%0.28CS..Hα-helixtrans-65.5-34.5174.7-67.4173-163.200111.6G26 K27 M42 K44 E45 A51G26-E47 WeakPolarHBondContact CA-OE2 3.27Å; K27-E47 PolarHBondContact N-OE2 2.91Å; M42-E47 HydrophobicContact CE-CB 3.97Å; K44-E47 HydrophobicContact CB-CB 4.32Å; K44-E47 HydrophobicContact CB-CG 4.09Å; K44-E47 HydrophobicContact CD-CG 4.47Å; K44-E47 VanDerWaalsContact CD-OE1 3.3Å; K44-E47 WeakPolarHBondContact CD-OE1 3.43Å; K44-E47 WeakPolarHBondContact CE-OE1 3.45Å; K44-E47 IonicContact NZ-OE1 2.73Å; K44-E47 PolarHBondContact NZ-OE1 3.02Å; E45-E47 VanDerWaalsContact C-N 3.32Å; E45-E47 PolarHBondContact O-N 3.13Å; E47-A51 WeakPolarHBondContact O-CB 3.18Å; E47-A51 PolarHBondContact O-N 3.47Å
48A91.2Very high90.3Very high0 Ų050.3 Ų50.30%027%0.271CS..Hα-helixtrans-72.7-39179.300000112V2 I4 M42 K44 E45 S46 A51 I52V2-A48 HydrophobicContact CB-CB 3.88Å; V2-A48 HydrophobicContact CG1-CB 3.76Å; I4-A48 HydrophobicContact CD1-CB 3.83Å; I4-A48 HydrophobicContact CG1-CB 4.08Å; M42-A48 HydrophobicContact CB-CB 3.95Å; M42-A48 HydrophobicContact CG-CB 3.96Å; K44-A48 PolarHBondContact O-N 2.83Å; E45-A48 CarbonylContact O-C 3.58Å; E45-A48 WeakPolarHBondContact O-CA 3.43Å; E45-A48 VanDerWaalsContact O-CB 3.3Å; E45-A48 WeakPolarHBondContact O-CB 3.33Å; E45-A48 PolarHBondContact O-N 3.27Å; S46-A48 VanDerWaalsContact C-N 3.29Å; S46-A48 PolarHBondContact O-N 2.63Å; A48-A51 PolarHBondContact O-N 2.96Å; A48-I52 WeakPolarHBondContact O-CD1 3.26Å; A48-I52 VanDerWaalsContact O-CG1 3.28Å; A48-I52 WeakPolarHBondContact O-CG1 3.42Å; A48-I52 PolarHBondContact O-N 3.23Å
49E91.5Very high89.8Confident91 Ų9155.5 Ų55.543%0.42530%0.297SS..Hα-helixtrans-66.1-46.2174.6-70.9176.5168.200111.5E45 S46 A51 I52 E53E45-E49 HydrophobicContact CG-CG 4.42Å; E45-E49 PolarHBondContact O-N 3.28Å; S46-E49 PolarHBondContact O-N 2.83Å; E49-A51 VanDerWaalsContact C-N 3.26Å; E49-A51 PolarHBondContact O-N 2.98Å; E49-I52 WeakPolarHBondContact O-CB 3.27Å; E49-I52 PolarHBondContact O-N 2.95Å; E49-I52 VanDerWaalsContact O-N 3.1Å; E49-E53 PolarHBondContact O-N 2.92Å
50A92Very high88.9Confident43 Ų4354.5 Ų54.536%0.35529%0.293SS..Hα-helixtrans-59.4-38.5173.900000112.1F25 S46 G54F25-A50 HydrophobicContact CD1-CB 4.22Å; F25-A50 WeakPolarHBondContact CD1-O 3.31Å; F25-A50 WeakPolarHBondContact CE1-O 3.26Å; S46-A50 WeakPolarHBondContact O-CB 3.48Å; S46-A50 PolarHBondContact O-N 3.02Å; A50-G54 PolarHBondContact O-N 3.41Å
51A91.3Very high88.2Confident0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-66.4-39.9174.600000112.4F22 F25 E47 A48 E49 L55F22-A51 HydrophobicContact CD1-CB 3.86Å; F22-A51 HydrophobicContact CE1-CB 3.98Å; F25-A51 HydrophobicContact CB-CB 3.77Å; F25-A51 HydrophobicContact CD1-CB 4.45Å; F25-A51 HydrophobicContact CD2-CB 4.15Å; F25-A51 HydrophobicContact CG-CB 3.87Å; E47-A51 WeakPolarHBondContact O-CB 3.18Å; E47-A51 PolarHBondContact O-N 3.47Å; A48-A51 PolarHBondContact O-N 2.96Å; E49-A51 VanDerWaalsContact C-N 3.26Å; E49-A51 PolarHBondContact O-N 2.98Å; A51-L55 WeakPolarHBondContact O-CB 3.14Å; A51-L55 PolarHBondContact O-N 2.78Å
52I91.3Very high87.7Confident35 Ų3560.6 Ų60.618%0.17934%0.343CS..Hα-helixtrans-60.2-54.7174.2-69.8158.4000109.1I4 A48 E49 G54 L55 Q56 V67 R69I4-I52 HydrophobicContact CD1-CD1 3.51Å; I4-I52 HydrophobicContact CD1-CG1 3.74Å; A48-I52 WeakPolarHBondContact O-CD1 3.26Å; A48-I52 VanDerWaalsContact O-CG1 3.28Å; A48-I52 WeakPolarHBondContact O-CG1 3.42Å; A48-I52 PolarHBondContact O-N 3.23Å; E49-I52 WeakPolarHBondContact O-CB 3.27Å; E49-I52 PolarHBondContact O-N 2.95Å; E49-I52 VanDerWaalsContact O-N 3.1Å; I52-G54 VanDerWaalsContact C-N 3.33Å; I52-G54 PolarHBondContact O-N 2.83Å; I52-L55 PolarHBondContact O-N 2.73Å; I52-Q56 WeakPolarHBondContact O-CB 3.4Å; I52-Q56 PolarHBondContact O-N 2.92Å; I52-V67 HydrophobicContact CB-CG1 4.49Å; I52-V67 HydrophobicContact CG1-CG1 4.07Å; I52-R69 HydrophobicContact CD1-CB 3.91Å
53E89.6Confident87.3Confident167 Ų16762.5 Ų62.578%0.7836%0.355SS*.Hα-helixtrans-63.1-38.4-176.4-67.2-177.3169.600112.9E49E49-E53 PolarHBondContact O-N 2.92Å
54G87.4Confident87.2Confident47 Ų4764.7 Ų64.749%0.48536%0.363SS..Hα-helixtrans-81.8-29.3-177.900000115.2A50 I52A50-G54 PolarHBondContact O-N 3.41Å; I52-G54 VanDerWaalsContact C-N 3.33Å; I52-G54 PolarHBondContact O-N 2.83Å
55L87.4Confident87.1Confident8 Ų859.1 Ų59.14%0.04234%0.339CS..Hα-helixtrans-106-6.5-177-63173.4000113.9K21 F22 F25 A51 I52 N57 A58 V67K21-L55 HydrophobicContact CB-CD1 4.14Å; K21-L55 HydrophobicContact CB-CD2 4.25Å; K21-L55 HydrophobicContact CD-CD2 4.1Å; F22-L55 HydrophobicContact CD1-CD1 4.01Å; F22-L55 HydrophobicContact CD2-CD1 4.24Å; F22-L55 HydrophobicContact CE1-CD1 3.91Å; F22-L55 HydrophobicContact CE2-CD1 4.14Å; F22-L55 HydrophobicContact CG-CD1 4.16Å; F22-L55 HydrophobicContact CZ-CD1 3.97Å; F25-L55 HydrophobicContact CD2-CD1 3.88Å; F25-L55 HydrophobicContact CD2-CG 4.11Å; F25-L55 HydrophobicContact CE2-CD1 3.65Å; F25-L55 HydrophobicContact CE2-CD2 3.67Å; F25-L55 HydrophobicContact CE2-CG 3.4Å; F25-L55 VanDerWaalsContact CE2-CG 3.4Å; F25-L55 HydrophobicContact CZ-CD2 4.2Å; F25-L55 HydrophobicContact CZ-CG 3.93Å; A51-L55 WeakPolarHBondContact O-CB 3.14Å; A51-L55 PolarHBondContact O-N 2.78Å; I52-L55 PolarHBondContact O-N 2.73Å; L55-N57 PolarHBondContact O-N 2.78Å; L55-A58 HydrophobicContact CD2-CB 4.34Å; L55-A58 VanDerWaalsContact O-CB 3.24Å; L55-A58 WeakPolarHBondContact O-CB 3.45Å; L55-A58 PolarHBondContact O-N 2.74Å; L55-V67 HydrophobicContact CB-CB 4.47Å; L55-V67 HydrophobicContact CB-CG2 3.82Å
56Q89.3Confident87.1Confident62 Ų6257 Ų5729%0.2933%0.331SS..THydrogen-bonded Turntrans-61.4122.6175.8178.561.2-21.500110.2I52 A58 N66 V67I52-Q56 WeakPolarHBondContact O-CB 3.4Å; I52-Q56 PolarHBondContact O-N 2.92Å; Q56-A58 VanDerWaalsContact C-N 3.3Å; Q56-A58 PolarHBondContact O-N 3.13Å; Q56-N66 VanDerWaalsContact CD-OD1 3.32Å; Q56-N66 PolarHBondContact NE2-OD1 3.1Å; Q56-N66 PolarHBondContact OE1-OD1 3.05Å; Q56-V67 PolarHBondContact OE1-O 3.46Å
57N84.2Confident87.1Confident94 Ų9452.8 Ų52.850%0.50330%0.301SS..THydrogen-bonded Turntrans65.121.2-172-58.1-79.8000115.9L55 I65L55-N57 PolarHBondContact O-N 2.78Å; N57-I65 WeakPolarHBondContact CA-O 3.46Å; N57-I65 PolarHBondContact N-O 2.93Å
58A79.2Confident87.1Confident20 Ų2054.6 Ų54.617%0.16531%0.31CS..  trans-63.3142.2172.700000111.3L55 Q56 K64 I65L55-A58 HydrophobicContact CD2-CB 4.34Å; L55-A58 VanDerWaalsContact O-CB 3.24Å; L55-A58 WeakPolarHBondContact O-CB 3.45Å; L55-A58 PolarHBondContact O-N 2.74Å; Q56-A58 VanDerWaalsContact C-N 3.3Å; Q56-A58 PolarHBondContact O-N 3.13Å; A58-K64 CarbonylContact O-C 3.36Å; A58-K64 WeakPolarHBondContact O-CA 3.5Å; A58-I65 HydrophobicContact CB-CD1 4.21Å; A58-I65 HydrophobicContact CB-CG1 4.07Å; A58-I65 WeakPolarHBondContact O-CG1 3.5Å; A58-I65 PolarHBondContact O-N 2.9Å
59I81.9Confident87Confident112 Ų11259.4 Ų59.457%0.57433%0.327SS*.EExtended strand (participates in β ladder)trans-89.2115.8177.6-59.9171.6000108.6V63 K64I59-V63 CarbonylContact C-O 3.57Å; I59-V63 WeakPolarHBondContact CA-O 3.28Å; I59-K64 HydrophobicContact CG1-CG 3.89Å
60L74.8Confident86.7Confident17 Ų1756 Ų569%0.08931%0.314CS..EExtended strand (participates in β ladder)trans-118.1125.6169.4-67.3-174.1000108.9L18 K21 G62 V63 I65L18-L60 HydrophobicContact CD2-CD1 3.47Å; L18-L60 VanDerWaalsContact CD2-CD1 3.47Å; K21-L60 HydrophobicContact CD-CD2 4.33Å; K21-L60 HydrophobicContact CG-CD2 4.25Å; L60-G62 PolarHBondContact O-N 2.92Å; L60-G62 VanDerWaalsContact O-N 3.07Å; L60-V63 PolarHBondContact N-O 3.05Å; L60-V63 WeakPolarHBondContact O-CA 3.46Å; L60-V63 PolarHBondContact O-N 3.18Å; L60-V63 VanDerWaalsContact O-O 3.06Å; L60-I65 HydrophobicContact CB-CG2 4.11Å; L60-I65 HydrophobicContact CD1-CD1 3.81Å; L60-I65 HydrophobicContact CD1-CG2 4Å; L60-I65 HydrophobicContact CG-CD1 4.24Å; L60-I65 HydrophobicContact CG-CG2 4.14Å
61D78.1Confident85.9Confident98 Ų9862 Ų6252%0.52433%0.334SS..THydrogen-bonded Turntrans53.133.2178-51.9-51.3000113.7S13 V63S13-D61 WeakPolarHBondContact CA-OD2 3.4Å; S13-D61 WeakPolarHBondContact CB-OD2 3.26Å; D61-V63 VanDerWaalsContact C-N 3.29Å; D61-V63 PolarHBondContact O-N 2.97Å
62G82.6Confident84.5Confident70 Ų7063.7 Ų63.772%0.72235%0.352SS*.THydrogen-bonded Turntrans81.8-2-177.100000115.2L60L60-G62 PolarHBondContact O-N 2.92Å; L60-G62 VanDerWaalsContact O-N 3.07Å
63V84.7Confident83Confident40 Ų4070.7 Ų70.724%0.24238%0.381CS..EExtended strand (participates in β ladder)trans-108.5134.9179.8-174.60000110.2N8 N10 I59 L60 D61 I65N8-V63 VanDerWaalsContact ND2-CG1 3.27Å; N8-V63 WeakPolarHBondContact ND2-CG1 3.05Å; N8-V63 WeakPolarHBondContact O-CG1 3.35Å; N10-V63 HydrophobicContact CB-CG2 4.07Å; I59-V63 CarbonylContact C-O 3.57Å; I59-V63 WeakPolarHBondContact CA-O 3.28Å; L60-V63 PolarHBondContact N-O 3.05Å; L60-V63 WeakPolarHBondContact O-CA 3.46Å; L60-V63 PolarHBondContact O-N 3.18Å; L60-V63 VanDerWaalsContact O-O 3.06Å; D61-V63 VanDerWaalsContact C-N 3.29Å; D61-V63 PolarHBondContact O-N 2.97Å; V63-I65 PolarHBondContact O-N 3.49Å
64K88.3Confident81.4Confident127 Ų12772.9 Ų72.955%0.55238%0.382SS*.EExtended strand (participates in β ladder)trans-79.3118.3174.5-69.8177.6179.3178.80109.9N8 A58 I59N8-K64 PolarHBondContact ND2-O 2.98Å; A58-K64 CarbonylContact O-C 3.36Å; A58-K64 WeakPolarHBondContact O-CA 3.5Å; I59-K64 HydrophobicContact CG1-CG 3.89Å
65I90.5Very high79.6Confident3 Ų375.2 Ų75.22%0.01541%0.406CS..  trans-83.5146.3176.470176.8000110.7V6 G7 L9 N57 A58 L60 V63 V67V6-I65 HydrophobicContact CG1-CB 4.17Å; V6-I65 HydrophobicContact CG1-CD1 4.19Å; G7-I65 WeakPolarHBondContact O-CA 3.34Å; L9-I65 HydrophobicContact CD2-CB 4.33Å; L9-I65 HydrophobicContact CD2-CG2 3.69Å; N57-I65 WeakPolarHBondContact CA-O 3.46Å; N57-I65 PolarHBondContact N-O 2.93Å; A58-I65 HydrophobicContact CB-CD1 4.21Å; A58-I65 HydrophobicContact CB-CG1 4.07Å; A58-I65 WeakPolarHBondContact O-CG1 3.5Å; A58-I65 PolarHBondContact O-N 2.9Å; L60-I65 HydrophobicContact CB-CG2 4.11Å; L60-I65 HydrophobicContact CD1-CD1 3.81Å; L60-I65 HydrophobicContact CD1-CG2 4Å; L60-I65 HydrophobicContact CG-CD1 4.24Å; L60-I65 HydrophobicContact CG-CG2 4.14Å; V63-I65 PolarHBondContact O-N 3.49Å; I65-V67 HydrophobicContact CD1-CG2 3.92Å; I65-V67 HydrophobicContact CG1-CG2 4.08Å
66N90.1Very high77.5Confident42 Ų4278.3 Ų78.323%0.22544%0.441CS..EExtended strand (participates in β ladder)trans-104.3112.1174.2-170.744.4000108.9V6 G7 Q56 E68V6-N66 CarbonylContact C-O 3.59Å; V6-N66 VanDerWaalsContact CA-O 3.26Å; V6-N66 WeakPolarHBondContact CA-O 3.45Å; G7-N66 PolarHBondContact N-O 3.39Å; G7-N66 PolarHBondContact O-N 3.35Å; Q56-N66 VanDerWaalsContact CD-OD1 3.32Å; Q56-N66 PolarHBondContact NE2-OD1 3.1Å; Q56-N66 PolarHBondContact OE1-OD1 3.05Å; N66-E68 PolarHBondContact ND2-OE1 3.07Å; N66-E68 PolarHBondContact OD1-OE1 3.24Å
67V91.8Very high75.5Confident0 Ų077.9 Ų77.90%045%0.453CS..EExtended strand (participates in β ladder)trans-105.5116.8177.6-174.60000109.1I4 F5 V6 F22 I52 L55 Q56 I65I4-V67 HydrophobicContact CG2-CG1 3.46Å; I4-V67 VanDerWaalsContact CG2-CG1 3.46Å; F5-V67 WeakPolarHBondContact O-CA 3.42Å; V6-V67 HydrophobicContact CG1-CG2 4.27Å; F22-V67 HydrophobicContact CE1-CG1 3.85Å; F22-V67 HydrophobicContact CZ-CG1 3.68Å; F22-V67 HydrophobicContact CZ-CG2 3.95Å; I52-V67 HydrophobicContact CB-CG1 4.49Å; I52-V67 HydrophobicContact CG1-CG1 4.07Å; L55-V67 HydrophobicContact CB-CB 4.47Å; L55-V67 HydrophobicContact CB-CG2 3.82Å; Q56-V67 PolarHBondContact OE1-O 3.46Å; I65-V67 HydrophobicContact CD1-CG2 3.92Å; I65-V67 HydrophobicContact CG1-CG2 4.08Å
68E91.4Very high73.8Confident71 Ų7179.5 Ų79.533%0.33247%0.469SS..EExtended strand (participates in β ladder)trans-135.8158.4-179.4-69.5175.8179.600110.5F5 N66 S70F5-E68 PolarHBondContact N-O 3.4Å; F5-E68 PolarHBondContact O-N 3.02Å; N66-E68 PolarHBondContact ND2-OE1 3.07Å; N66-E68 PolarHBondContact OD1-OE1 3.24Å; E68-S70 PolarHBondContact O-N 2.93Å
69R89.8Confident72.3Confident100 Ų10080.3 Ų80.338%0.37748%0.479SS..EExtended strand (participates in β ladder)trans-65.2124.8171.4-170.9174.5178.8161.42109E45 I52 H71E45-R69 IonicContact OE1-CZ 2.98Å; E45-R69 IonicContact OE1-NH1 3.98Å; E45-R69 PolarHBondContact OE1-NH1 3.32Å; E45-R69 IonicContact OE1-NH2 2.67Å; E45-R69 PolarHBondContact OE1-NH2 3.43Å; I52-R69 HydrophobicContact CD1-CB 3.91Å; R69-H71 PolarHBondContact O-N 3.35Å
70S84.5Confident70.9Confident21 Ų2180.7 Ų80.715%0.14749%0.488CS..  trans-63.5124.6-177.7179.40000110.8K3 E68 G72K3-S70 WeakPolarHBondContact CD-OG 3.24Å; K3-S70 WeakPolarHBondContact CE-OG 3.47Å; K3-S70 VanDerWaalsContact CG-CB 3.46Å; K3-S70 WeakPolarHBondContact O-CB 3.15Å; K3-S70 PolarHBondContact O-N 3.01Å; E68-S70 PolarHBondContact O-N 2.93Å; S70-G72 PolarHBondContact O-N 3.02Å; S70-G72 PolarHBondContact OG-N 3.48Å
71H76.1Confident70Confident167 Ų16783.8 Ų83.877%0.77352%0.516SS*.  trans-75.549.4164.6-45.3-49.2000110.6R69 K73R69-H71 PolarHBondContact O-N 3.35Å; H71-K73 PolarHBondContact O-N 3.45Å
72G60.7Low68.7Low37 Ų3790.1 Ų90.138%0.38153%0.533SS..  trans-68.9124.6171.700000108.2S70 R74S70-G72 PolarHBondContact O-N 3.02Å; S70-G72 PolarHBondContact OG-N 3.48Å; G72-R74 PolarHBondContact O-N 2.97Å
73K60.6Low67.3Low181 Ų18198.3 Ų98.379%0.78754%0.542SS*.  trans-58.498.3159.7-61.4-174.8-177.5-164.50105.3H71 G75H71-K73 PolarHBondContact O-N 3.45Å; K73-G75 PolarHBondContact O-N 3.27Å; K73-G75 VanDerWaalsContact O-N 3.14Å
74R55.6Low65.6Low213 Ų213106.5 Ų106.580%0.80457%0.569SS**  trans-42.5127.4162.6-63.1-179.8-175.5-177.80.3104.6G72 G76G72-R74 PolarHBondContact O-N 2.97Å; R74-G76 PolarHBondContact O-N 2.78Å
75G49.1Very low63.8Low96 Ų96107.2 Ų107.299%0.9958%0.579SS**SBendtrans-63.161.2-171.300000114K73K73-G75 PolarHBondContact O-N 3.27Å; K73-G75 VanDerWaalsContact O-N 3.14Å
76G45.1Very low61.7Low74 Ų74114.8 Ų114.876%0.76361%0.614SS**  trans-160.266.6-166.300000108.3R74R74-G76 PolarHBondContact O-N 2.78Å
77G46Very low59.7Low53 Ų53116.5 Ų116.555%0.54664%0.641SS.*  trans168.2101.4177.600000107.2G79G77-G79 PolarHBondContact O-N 2.9Å
78P48.7Very low57.5Low128 Ų128127.1 Ų127.183%0.83168%0.681SS**  trans-59.181.9161.825.5-31.8000107.3P80P78-P80 VanDerWaalsContact O-N 3.11Å
79G47.1Very low55.3Low37 Ų37132.8 Ų132.838%0.38170%0.701SS.*  trans-52.3122.716000000104.1G77 A81G77-G79 PolarHBondContact O-N 2.9Å; G79-A81 PolarHBondContact O-N 2.82Å
80P54.4Low53.4Low119 Ų119138.5 Ų138.577%0.77372%0.723SS**  trans-44.5110.1-149.917.4-32.5000106.7P78 R82P78-P80 VanDerWaalsContact O-N 3.11Å; P80-R82 VanDerWaalsContact C-N 3.31Å; P80-R82 PolarHBondContact O-N 2.73Å
81A54.2Low51.6Low82 Ų82144.3 Ų144.368%0.67875%0.752SS**  trans-40.4111.5177.700000104G79 R83G79-A81 PolarHBondContact O-N 2.82Å; A81-R83 PolarHBondContact O-N 2.97Å
82R52.2Low49.7Very low231 Ų231145.1 Ų145.187%0.87275%0.749SS**  trans-38.2117178.4-66.8176.5179.9174.9-0.7103P80 R84P80-R82 VanDerWaalsContact C-N 3.31Å; P80-R82 PolarHBondContact O-N 2.73Å; R82-R84 WeakPolarHBondContact O-CB 3.14Å; R82-R84 PolarHBondContact O-N 2.83Å
83R52.2Low49.2Very low242 Ų242147.6 Ų147.691%0.91376%0.759SS**  trans-55.377.5-175.1-67.8-164.3-169.4-167.65.7107.7A81 N85A81-R83 PolarHBondContact O-N 2.97Å; R83-N85 PolarHBondContact O-N 2.81Å
84R50Low48.7Very low213 Ų213144.8 Ų144.880%0.80476%0.759SS**  trans-8674.7175.8-179.6-175.5-78.5-146.8-1100.9R82 E86R82-R84 WeakPolarHBondContact O-CB 3.14Å; R82-R84 PolarHBondContact O-N 2.83Å; R84-E86 PolarHBondContact O-N 3.09Å
85N49.7Very low48.2Very low142 Ų142142.2 Ų142.276%0.75976%0.756SS**SBendtrans36.619.5145.2-90.2-74.9000120.4R83 G87R83-N85 PolarHBondContact O-N 2.81Å; N85-G87 PolarHBondContact O-N 3Å
86E46.5Very low48.1Very low162 Ų162148.3 Ų148.376%0.75775%0.749SS**  trans-84.72.4-178.3-137.974.4-143.200112.6R84 R88R84-E86 PolarHBondContact O-N 3.09Å; E86-R88 PolarHBondContact O-N 3.06Å
87G47Very low47.9Very low77 Ų77147 Ų14779%0.79474%0.736SS**THydrogen-bonded Turntrans-70.420.1170.700000114.3N85N85-G87 PolarHBondContact O-N 3Å
88R47.3Very low48.2Very low224 Ų224151 Ų15185%0.84575%0.753SS**THydrogen-bonded Turntrans-106.1-0.1177.1-69.9-66-123.7-135.3-0.3113.7E86 R90E86-R88 PolarHBondContact O-N 3.06Å; R88-R90 PolarHBondContact O-N 3.39Å
89Y45.4Very low48.2Very low190 Ų190155.5 Ų155.575%0.74575%0.753SS**SBendtrans-9484.6155.7-130.4-99.2000107.8D91Y89-D91 VanDerWaalsContact C-N 3.32Å; Y89-D91 PolarHBondContact O-N 3.05Å
90R48.4Very low48.2Very low220 Ų220157.9 Ų157.983%0.8377%0.769SS**  trans-49.1106.7158.9-167.4175.1-160.6163.92.8105.1R88 Y92R88-R90 PolarHBondContact O-N 3.39Å; R90-Y92 VanDerWaalsContact C-N 3.33Å; R90-Y92 PolarHBondContact O-N 3.33Å
91D46.6Very low47.8Very low143 Ų143157.7 Ų157.777%0.76577%0.768SS**  trans-48105.4172.6-61.8-70.5000106.6Y89Y89-D91 VanDerWaalsContact C-N 3.32Å; Y89-D91 PolarHBondContact O-N 3.05Å
92Y38Very low47.7Very low183 Ų183159.3 Ų159.372%0.71877%0.771SS**  trans-57.4124.8166.6-100.4-102000104.9R90R90-Y92 VanDerWaalsContact C-N 3.33Å; R90-Y92 PolarHBondContact O-N 3.33Å
93P48.9Very low47.5Very low90 Ų90160 Ų16058%0.58477%0.774SS**  trans-53.4139.7-176.120.1-31000109.1E95P93-E95 PolarHBondContact O-N 3.05Å
94P50.9Low47Very low122 Ų122159.5 Ų159.579%0.79277%0.774SS**  trans-55.6111.8179.820.4-29.6000107.6R96P94-R96 VanDerWaalsContact C-N 3.35Å; P94-R96 PolarHBondContact O-N 3.45Å
95E45.4Very low46.7Very low159 Ų159158.2 Ų158.274%0.74378%0.779SS**  trans-54.6101.9179.9-67-64171.800107.6P93 G97P93-E95 PolarHBondContact O-N 3.05Å; E95-G97 PolarHBondContact O-N 3.22Å
96R45.8Very low46.7Very low224 Ų224158.9 Ų158.985%0.84578%0.782SS**  trans-64.884169.5-78.7-161.8-158.4-1675.8107.9P94P94-R96 VanDerWaalsContact C-N 3.35Å; P94-R96 PolarHBondContact O-N 3.45Å
97G41.9Very low46.8Very low47 Ų47156.7 Ų156.749%0.48579%0.785SS.*SBendtrans60155.8162.700000115.8E95 R99E95-G97 PolarHBondContact O-N 3.22Å; G97-R99 PolarHBondContact O-N 3.19Å
98P51.9Low46.8Very low137 Ų137155.6 Ų155.689%0.8977%0.774SS**  trans-64.695.117526.3-32.5000109.6A100P98-A100 PolarHBondContact O-N 2.83Å
99R49Very low47.2Very low221 Ų221150.8 Ų150.883%0.83477%0.772SS**  trans-60.4123.6162-73.1-177.6176.9155.3-1.3106.8G97G97-R99 PolarHBondContact O-N 3.19Å
100A47Very low47.6Very low87 Ų87147.3 Ų147.372%0.71977%0.772SS**  trans-43.4142.9-176.600000112.5P98P98-A100 PolarHBondContact O-N 2.83Å
101P45Very low47.8Very low115 Ų115142 Ų14275%0.74777%0.767SS**  trans-58.6139.5-169.522.8-33.2000111.5R103P101-R103 PolarHBondContact O-N 2.95Å
102P53.4Low48.2Very low117 Ų117140.9 Ų140.976%0.7677%0.767SS**  trans-55.3128.1175.7-22.832.2000110.1Y104P102-Y104 PolarHBondContact O-N 3.1Å
103R46.8Very low48.7Very low246 Ų246143.8 Ų143.893%0.92878%0.777SS**  trans-51.6105.3175.2-63.7176.6-179.3164.7-0.9108.8P101 M105P101-R103 PolarHBondContact O-N 2.95Å; R103-M105 PolarHBondContact O-N 2.88Å; R103-M105 VanDerWaalsContact O-N 3.09Å
104Y42.2Very low48.6Very low231 Ų231147.9 Ų147.991%0.90679%0.79SS**  trans-62.8104.1163.5-104.5-104.3000107.2P102P102-Y104 PolarHBondContact O-N 3.1Å
105M43.5Very low48.2Very low185 Ų185145 Ų14591%0.91178%0.783SS**  trans176.680.2158.7-102.3173.3-176.200109.3R103R103-M105 PolarHBondContact O-N 2.88Å; R103-M105 VanDerWaalsContact O-N 3.09Å
106N49.9Very low48.4Very low156 Ų156149.6 Ų149.683%0.83479%0.793SS**  -162112.5118.4-143.4-45.1000109.4G108N106-G108 PolarHBondContact O-N 2.67Å; N106-G108 VanDerWaalsContact O-N 3.1Å
107S49.8Very low48.1Very low116 Ų116148.8 Ų148.881%0.81179%0.792SS**  trans-53.596.8173.143.30000112.3
108G46.5Very low48Very low55 Ų55149.8 Ų149.857%0.56780%0.802SS**  trans-122.2126.4152.100000107.6N106N106-G108 PolarHBondContact O-N 2.67Å; N106-G108 VanDerWaalsContact O-N 3.1Å
109P55.4Low47.7Very low123 Ų123147.2 Ų147.280%0.79979%0.785SS**PPolyproline II helixtrans-58.5133178.622.2-30.2000109.4
110P54.5Low47.5Very low116 Ų116140.2 Ų140.275%0.75378%0.775SS**PPolyproline II helixtrans-62.5141.4178.325-31.9000109.6
111P52.6Low47.3Very low110 Ų110147 Ų14771%0.71478%0.782SS**PPolyproline II helixtrans-58.3144.8172.925.1-32.5000109.4R113P111-R113 PolarHBondContact O-N 2.92Å; P111-R113 VanDerWaalsContact O-N 3.11Å
112P53.3Low47.7Very low118 Ų118148.4 Ų148.477%0.76678%0.783SS**PPolyproline II helixtrans-55.8124.8-178.220.8-30000108.6M114P112-M114 PolarHBondContact O-N 2.76Å
113R49.6Very low47.6Very low244 Ų244149.7 Ų149.792%0.92178%0.783SS**  trans-61.991.1169.3-64.4-171.7-175.7-172.52.5106.3P111 G115P111-R113 PolarHBondContact O-N 2.92Å; P111-R113 VanDerWaalsContact O-N 3.11Å; R113-G115 VanDerWaalsContact C-N 3.25Å; R113-G115 PolarHBondContact O-N 2.8Å
114M47.1Very low47.5Very low176 Ų176141.4 Ų141.487%0.86778%0.775SS**  trans-54.8104.3162.5-76.4168.3107.400104.7P112 R116P112-M114 PolarHBondContact O-N 2.76Å; M114-R116 PolarHBondContact O-N 3.19Å; M114-R116 VanDerWaalsContact O-N 3.1Å
115G42.4Very low47.6Very low62 Ų62142.1 Ų142.164%0.63978%0.778SS**  trans-49.5123.8-179.500000107R113 Y117R113-G115 VanDerWaalsContact C-N 3.25Å; R113-G115 PolarHBondContact O-N 2.8Å; G115-Y117 PolarHBondContact O-N 2.94Å
116R48Very low47.7Very low256 Ų256136.9 Ų136.997%0.96677%0.772SS**SBendtrans-64.944.4167.8-77.3-103.4-127.4-106.4-2110.7M114M114-R116 PolarHBondContact O-N 3.19Å; M114-R116 VanDerWaalsContact O-N 3.1Å
117Y41.3Very low47.4Very low206 Ų206132.6 Ų132.681%0.80876%0.764SS**  trans-121.860.9172.7-148.8-88.9000107.7G115 P119G115-Y117 PolarHBondContact O-N 2.94Å; Y117-P119 HydrophobicContact CD1-CG 4.47Å; Y117-P119 HydrophobicContact CE1-CG 4.25Å; Y117-P119 WeakPolarHBondContact O-CD 3.3Å
118G39.1Very low47.5Very low68 Ų68132.4 Ų132.470%0.70176%0.76SS**  trans-100.8100.5154.600000107.2A120G118-A120 PolarHBondContact O-N 2.88Å
119P45.5Very low47.7Very low83 Ų83139.8 Ų139.854%0.53977%0.772SS.*  trans-7892.7168.630.2-29.5000108.2Y117Y117-P119 HydrophobicContact CD1-CG 4.47Å; Y117-P119 HydrophobicContact CE1-CG 4.25Å; Y117-P119 WeakPolarHBondContact O-CD 3.3Å
120A43.8Very low47.5Very low74 Ų74137.1 Ų137.161%0.61277%0.768SS**  trans-134.988.716900000107.8G118 D122G118-A120 PolarHBondContact O-N 2.88Å; A120-D122 PolarHBondContact O-N 3.25Å
121W44.6Very low48Very low231 Ų231137.4 Ų137.488%0.87577%0.769SS**  trans-60.462.3159.739.656000110.4
122D52Low48.3Very low143 Ų143137.7 Ų137.777%0.76577%0.771SS**  trans-116.744.1174.2-153-113.4000110.5A120A120-D122 PolarHBondContact O-N 3.25Å
123D51.3Low48.3Very low144 Ų144137.4 Ų137.477%0.7777%0.769SS**SBendtrans-112.864.6165.4-69.5-63.2000108.5Y125D123-Y125 WeakPolarHBondContact O-CD2 3.42Å; D123-Y125 PolarHBondContact O-N 2.83Å
124G44.3Very low48.7Very low73 Ų73131.8 Ų131.875%0.75376%0.764SS**  trans58.822.1136.600000120.5G126G124-G126 PolarHBondContact O-N 2.84Å
125Y46.3Very low49Very low245 Ų245134.7 Ų134.796%0.96177%0.766SS**  trans-75.663.9168.4-87.1-92.4000111.3D123D123-Y125 WeakPolarHBondContact O-CD2 3.42Å; D123-Y125 PolarHBondContact O-N 2.83Å
126G44Very low49.1Very low76 Ų76138.2 Ų138.278%0.78477%0.77SS**  trans-115.3102.1169.100000110.4G124G124-G126 PolarHBondContact O-N 2.84Å
127G44.2Very low48.9Very low66 Ų66131.6 Ų131.668%0.6876%0.763SS**  trans138.192.2154.400000116.4Y129G127-Y129 PolarHBondContact O-N 3.36Å
128P51.6Low49.6Very low111 Ų111126.3 Ų126.372%0.72176%0.756SS**  trans-85.820.5174.131.6-31.6000115.8
129Y50.6Low50Low210 Ų210133.5 Ų133.582%0.82476%0.762SS**  trans-132.778.1-179.4-53.9-72.7000112.6G127G127-Y129 PolarHBondContact O-N 3.36Å
130G52.6Low49.7Very low68 Ų68132.9 Ų132.970%0.70177%0.771SS**PPolyproline II helixtrans-76.4129.9155.400000109
131P63.7Low49.8Very low121 Ų121139.1 Ų139.179%0.78678%0.78SS**PPolyproline II helixtrans-64139.4-177.724.5-32.5000111.5
132P59.9Low49.7Very low117 Ų117135.8 Ų135.876%0.7678%0.779SS**PPolyproline II helixtrans-66.9146.7177.826.5-32.7000111.5
133P52.1Low49.2Very low111 Ų111138.7 Ų138.772%0.72178%0.781SS**PPolyproline II helixtrans-66.6152.3-178.527.1-34.1000112.1R135P133-R135 PolarHBondContact O-N 2.74Å
134P58.4Low48.9Very low126 Ų126136.5 Ų136.582%0.81878%0.775SS**PPolyproline II helixtrans-61.9126.4-179.423.8-31.9000111N136P134-N136 PolarHBondContact O-N 2.96Å
135R52.9Low49Very low237 Ų237139 Ų13989%0.89478%0.778SS**  trans-68.3102.4170.2-72.3179.6171.2-175.5-3107.9P133 S137P133-R135 PolarHBondContact O-N 2.74Å; R135-S137 VanDerWaalsContact C-N 3.3Å; R135-S137 PolarHBondContact O-N 2.85Å
136N45.2Very low49Very low137 Ų137134.4 Ų134.473%0.73377%0.77SS**  trans-6990.1174.4-169.6-20.9000109.5P134 S138P134-N136 PolarHBondContact O-N 2.96Å; N136-S138 PolarHBondContact O-N 2.52Å; N136-S138 WeakPolarHBondContact OD1-CB 3.06Å; N136-S138 PolarHBondContact OD1-OG 3.49Å
137S44.8Very low48.9Very low116 Ų116134 Ų13481%0.81177%0.765SS**THydrogen-bonded Turntrans-73.272.4170.3-61.50000110.5R135R135-S137 VanDerWaalsContact C-N 3.3Å; R135-S137 PolarHBondContact O-N 2.85Å
138S55Low49.1Very low96 Ų96137.4 Ų137.467%0.67177%0.773SS**THydrogen-bonded Turntrans-144.30171-41.70000115.5N136 G140N136-S138 PolarHBondContact O-N 2.52Å; N136-S138 WeakPolarHBondContact OD1-CB 3.06Å; N136-S138 PolarHBondContact OD1-OG 3.49Å; S138-G140 PolarHBondContact O-N 3.1Å
139R46.6Very low48.8Very low218 Ų218139.8 Ų139.882%0.82378%0.779SS**  trans-9681.5174-63.3-161.1-174.3-161.22.8109.2Y141R139-Y141 PolarHBondContact O-N 2.73Å
140G39.1Very low48.5Very low70 Ų70133.1 Ų133.172%0.72278%0.775SS**  trans-54.5107.9164.400000108.7S138S138-G140 PolarHBondContact O-N 3.1Å
141Y46.8Very low48.1Very low206 Ų206141 Ų14181%0.80878%0.784SS**  trans-89.1102.2158.5-85-85.2000105.7R139 Y143R139-Y141 PolarHBondContact O-N 2.73Å; Y141-Y143 PolarHBondContact O-N 2.81Å
142D42.4Very low46.9Very low161 Ų161145.8 Ų145.886%0.86179%0.787SS**  trans-52.2107.5166.9-71.8-70.8000109P144D142-P144 WeakPolarHBondContact O-CD 3.37Å
143Y41.7Very low46.2Very low203 Ų203145.1 Ų145.180%0.79678%0.783SS**PPolyproline II helixtrans-77.1121.7166-123.8-90.2000107.2Y141Y141-Y143 PolarHBondContact O-N 2.81Å
144P45.1Very low46.3Very low99 Ų99145 Ų14564%0.64378%0.782SS**PPolyproline II helixtrans-61.9140.2174.124.6-31.5000109.7D142 N146D142-P144 WeakPolarHBondContact O-CD 3.37Å; P144-N146 PolarHBondContact O-N 3.31Å
145P46.8Very low46Very low125 Ų125146.8 Ų146.881%0.81278%0.783SS**PPolyproline II helixtrans-65.2123-176.525.4-31.9000109.9G147P145-G147 PolarHBondContact O-N 3.3Å
146N44.9Very low45.7Very low149 Ų149141.6 Ų141.680%0.79777%0.774SS**  trans-55.193.7170.4-79.3-63000110.1P144P144-N146 PolarHBondContact O-N 3.31Å
147G43.4Very low45.8Very low66 Ų66146.8 Ų146.868%0.6878%0.783SS**  trans-127.7-1.1-176.100000115.6P145P145-G147 PolarHBondContact O-N 3.3Å
148T46.6Very low45.8Very low138 Ų138144.8 Ų144.885%0.84777%0.774SS**  trans-132.652.6-172.437.20000113G150T148-G150 PolarHBondContact O-N 3.34Å
149N45.4Very low45.3Very low161 Ų161149.2 Ų149.286%0.86178%0.784SS**  trans-85.865.6155.6-75.6-39.2000109.2R151N149-R151 PolarHBondContact O-N 3.45Å
150G46.1Very low45.4Very low71 Ų71146.4 Ų146.473%0.73278%0.78SS**  trans-90.436.8-179.700000114.5T148T148-G150 PolarHBondContact O-N 3.34Å
151R43.7Very low46Very low234 Ų234151.6 Ų151.688%0.88379%0.785SS**  trans-133.425.8-178.3-68.8-147.5-174.2-161.15.2116.3N149N149-R151 PolarHBondContact O-N 3.45Å
152Y38.7Very low46.2Very low220 Ų220153 Ų15386%0.86379%0.788SS**SBendtrans-126.1125.2158.6-88.9-89.4000109.7
153P44.7Very low46.8Very low104 Ų104150.7 Ų150.768%0.67578%0.783SS**  trans-60.2145.7172.927.1-32.2000108.9I155P153-I155 PolarHBondContact O-N 3.45Å
154P54.4Low47.6Very low108 Ų108148.5 Ų148.570%0.70178%0.784SS**  trans-53.8126.6176.1-24.634.5000109.7D156P154-D156 PolarHBondContact O-N 3.01Å
155I51.8Low48.2Very low163 Ų163149.7 Ų149.784%0.83679%0.792SS**  trans-63.8106.3166.5-66.7156.6000105P153 R157P153-I155 PolarHBondContact O-N 3.45Å; I155-R157 PolarHBondContact O-N 3.32Å
156D45.5Very low48.7Very low129 Ų129155.5 Ų155.569%0.6980%0.797SS**  trans-52.6118.9178.8-57.7-49.4000107.9P154 A158P154-D156 PolarHBondContact O-N 3.01Å; D156-A158 PolarHBondContact O-N 2.98Å
157R47.5Very low49.4Very low245 Ų245150.6 Ų150.693%0.92578%0.782SS**THydrogen-bonded Turntrans-68.528.1-172.9-158.4-178.9-170142.11.3113I155I155-R157 PolarHBondContact O-N 3.32Å
158A46.5Very low50.3Low75 Ų75153.3 Ų153.362%0.6279%0.788SS**THydrogen-bonded Turntrans-107.4-13.6-165.800000114.7D156 Q160D156-A158 PolarHBondContact O-N 2.98Å; A158-Q160 PolarHBondContact O-N 3.39Å
159E43.6Very low50.9Low189 Ų189151.2 Ų151.288%0.88379%0.785SS**  trans-91.662.6177.7-71.4168.5124.300110.9H161E159-H161 PolarHBondContact O-N 2.65Å
160Q47.7Very low51.7Low158 Ų158154.8 Ų154.874%0.73879%0.786SS**  trans-54108165-63.3173.435.100108.4A158 R162A158-Q160 PolarHBondContact O-N 3.39Å; Q160-R162 PolarHBondContact O-N 3.38Å
161H52.4Low52.8Low179 Ų179158.1 Ų158.183%0.82979%0.787SS**  trans31.270.6146-56.9-80.8000114.7E159 P163E159-H161 PolarHBondContact O-N 2.65Å; H161-P163 WeakPolarHBondContact O-CD 3.4Å
162R51.1Low53.7Low235 Ų235152.8 Ų152.889%0.88778%0.783SS**  trans-73.9107.5160.5-163172.8168.7-170.9-3.8106.2Q160 L164Q160-R162 PolarHBondContact O-N 3.38Å; R162-L164 PolarHBondContact O-N 2.72Å; R162-L164 VanDerWaalsContact O-N 3.14Å
163P55.8Low55.1Low114 Ų114149.9 Ų149.974%0.7478%0.781SS**PPolyproline II helixtrans-60.9124.7177.526-32.6000107.4H161H161-P163 WeakPolarHBondContact O-CD 3.4Å
164L58.1Low56.3Low157 Ų157150.4 Ų150.482%0.82279%0.785SS**PPolyproline II helixtrans-53.6138.8171.1-68.7165.8000107.9R162 R166R162-L164 PolarHBondContact O-N 2.72Å; R162-L164 VanDerWaalsContact O-N 3.14Å; L164-R166 PolarHBondContact O-N 2.86Å
165P58.4Low57Low124 Ų124153 Ų15381%0.80579%0.792SS**PPolyproline II helixtrans-53.8118.4174.1-14.324.6000107G167P165-G167 PolarHBondContact O-N 2.87Å
166R55.8Low57.9Low246 Ų246150.2 Ų150.293%0.92879%0.785SS**  trans-66.787.5174.8-164.9177.9-65179.60.4105.5L164L164-R166 PolarHBondContact O-N 2.86Å
167G60.8Low58.8Low47 Ų47149.2 Ų149.249%0.48579%0.785SS.*  trans-52.3153.117400000109P165 A169P165-G167 PolarHBondContact O-N 2.87Å; G167-A169 PolarHBondContact O-N 3.02Å; G167-A169 VanDerWaalsContact O-N 3.17Å
168P62.1Low59.6Low122 Ų122143.2 Ų143.279%0.79278%0.781SS**  trans-51130.2179.523.3-32.9000108R170P168-R170 PolarHBondContact O-N 2.9Å
169A59.5Low60.4Low95 Ų95145.4 Ų145.479%0.78579%0.786SS**  trans-47.2103.9-17900000107.9G167 D171G167-A169 PolarHBondContact O-N 3.02Å; G167-A169 VanDerWaalsContact O-N 3.17Å; A169-D171 PolarHBondContact O-N 2.79Å; A169-D171 VanDerWaalsContact O-N 3.09Å
170R61.5Low60.8Low235 Ų235139.3 Ų139.389%0.88777%0.774SS**  trans-66.7114170.2-74.8-178.6173.2177.6-2.5103.7P168P168-R170 PolarHBondContact O-N 2.9Å
171D68.4Low61.3Low142 Ų142143 Ų14376%0.75978%0.783SS**  trans-45.5133.8173.5-70.8-51000108.4A169 L173A169-D171 PolarHBondContact O-N 2.79Å; A169-D171 VanDerWaalsContact O-N 3.09Å; D171-L173 PolarHBondContact O-N 3.14Å
172P64.1Low61.8Low122 Ų122145.6 Ų145.679%0.79279%0.785SS**PPolyproline II helixtrans-54.8122.2-179.221.1-30.6000108
173L66.8Low62.5Low158 Ų158136.5 Ų136.583%0.82776%0.764SS**PPolyproline II helixtrans-53.9136.6176.4-70.1175000108.4D171 L175D171-L173 PolarHBondContact O-N 3.14Å; L173-L175 PolarHBondContact O-N 2.86Å
174P70Confident63.2Low116 Ų116136.6 Ų136.675%0.75377%0.765SS**PPolyproline II helixtrans-55.9132.8177.922.6-31.8000109.1
175L70.2Confident63.7Low162 Ų162134.7 Ų134.785%0.84876%0.762SS**PPolyproline II helixtrans-53.9131.5172.7-71.6159.6000107.9L173L173-L175 PolarHBondContact O-N 2.86Å
176P70.8Confident64.3Low105 Ų105135.1 Ų135.168%0.68276%0.762SS**PPolyproline II helixtrans-58.2147.4174.725.6-33000108.7S178P176-S178 PolarHBondContact O-N 3.31Å
177P64.5Low65Low108 Ų108129.1 Ų129.170%0.70176%0.755SS**PPolyproline II helixtrans-51.9133.3174.623-32.2000107.7V179P177-V179 HydrophobicContact CG-CG2 4.39Å; P177-V179 PolarHBondContact O-N 2.65Å
178S63.4Low65.4Low119 Ų119135.4 Ų135.483%0.83277%0.772SS**  trans-64.976.1170.656.30000107.8P176 G180P176-S178 PolarHBondContact O-N 3.31Å; S178-G180 PolarHBondContact O-N 3.33Å
179V63.1Low65.9Low121 Ų121135.2 Ų135.273%0.73377%0.77SS**  trans-62.598.2159.1-172.20000101.7P177 Y181P177-V179 HydrophobicContact CG-CG2 4.39Å; P177-V179 PolarHBondContact O-N 2.65Å; V179-Y181 PolarHBondContact O-N 2.64Å
180G52.3Low66.3Low60 Ų60138.1 Ų138.162%0.61977%0.771SS**  trans-44126.3-178.600000106.9S178 R182S178-G180 PolarHBondContact O-N 3.33Å; G180-R182 PolarHBondContact O-N 2.92Å
181Y58.5Low66.6Low236 Ų236130.2 Ų130.293%0.92575%0.75SS**  trans-56.286.5177.4-101.1-95000107.1V179 G183V179-Y181 PolarHBondContact O-N 2.64Å; Y181-G183 PolarHBondContact O-N 3.4Å
182R62.4Low66.3Low234 Ų234126.7 Ų126.788%0.88374%0.737SS**  trans-71.696.2160.6-162.5179.5-163.6-1303.5101.2G180G180-R182 PolarHBondContact O-N 2.92Å
183G65.5Low66.4Low44 Ų44126.3 Ų126.345%0.45473%0.734SS.*  trans-44.3148.8173.900000109.1Y181Y181-G183 PolarHBondContact O-N 3.4Å
184P71.2Confident66.4Low115 Ų115129.9 Ų129.975%0.74774%0.737SS**PPolyproline II helixtrans-48139.2-177.721.1-32.6000109.2V186P184-V186 PolarHBondContact O-N 2.76Å
185P68Low66.5Low118 Ų118129.7 Ų129.777%0.76673%0.73SS**PPolyproline II helixtrans-51.3119.2177.922.1-31.7000107.6P187P185-P187 WeakPolarHBondContact O-CD 3.42Å
186V71.7Confident66.5Low132 Ų132129.1 Ų129.180%0.872%0.717SS**PPolyproline II helixtrans-54.5125.4172.8-83.50000106.8P184 E188P184-V186 PolarHBondContact O-N 2.76Å; V186-E188 PolarHBondContact O-N 3.11Å
187P70.7Confident66.7Low120 Ų120129.2 Ų129.278%0.77972%0.718SS**PPolyproline II helixtrans-52129174.2-25.433.8000108.3P185P185-P187 WeakPolarHBondContact O-CD 3.42Å
188E69.7Low67.2Low179 Ų179129.9 Ų129.984%0.83672%0.722SS**PPolyproline II helixtrans-52.1134.1175.6-68.6-178.1173.700108.4V186 I190V186-E188 PolarHBondContact O-N 3.11Å; E188-I190 PolarHBondContact O-N 2.81Å
189P72.3Confident67.8Low118 Ų118133.6 Ų133.677%0.76672%0.723SS**PPolyproline II helixtrans-57.1119.2178.321.2-29.8000108P191P189-P191 WeakPolarHBondContact O-CD 3.25Å; P189-P191 VanDerWaalsContact O-N 3.12Å
190I67.4Low68.4Low156 Ų156132.9 Ų132.980%0.872%0.721SS**PPolyproline II helixtrans-50.7120.5174.5-2.2173.8000107.3E188E188-I190 PolarHBondContact O-N 2.81Å
191P67.5Low69.4Low70 Ų70135.2 Ų135.246%0.45573%0.725SS.*PPolyproline II helixtrans-56.9144.7177.220.1-29.8000109.3P189 D195 Y196P189-P191 WeakPolarHBondContact O-CD 3.25Å; P189-P191 VanDerWaalsContact O-N 3.12Å; P191-D195 HydrophobicContact CB-CB 4.12Å; P191-Y196 HydrophobicContact CG-CE2 4.41Å
192S62.4Low69.9Low68 Ų68129.6 Ų129.648%0.47672%0.718SS.*PPolyproline II helixtrans-59.2148.2-175.8-98.80000109.3R194 D195S192-R194 PolarHBondContact O-N 3.36Å; S192-D195 PolarHBondContact N-OD2 2.83Å; S192-D195 WeakPolarHBondContact O-CB 3.3Å; S192-D195 PolarHBondContact O-N 2.72Å
193P66.3Low69.7Low114 Ų114126.8 Ų126.874%0.7472%0.717SS**G310 helixtrans-54.4-16.7176.6-27.735000114.6D195 Y196P193-D195 VanDerWaalsContact C-N 3.3Å; P193-Y196 PolarHBondContact O-N 2.9Å
194R66.7Low69.3Low233 Ų233136.3 Ų136.388%0.87974%0.739SS**G310 helixtrans-70.2-21.9173.2-71.4-173.9171.8113.5-1.5114.1S192 Y196S192-R194 PolarHBondContact O-N 3.36Å; R194-Y196 VanDerWaalsContact C-N 3.28Å
195D71.6Confident68.3Low112 Ų112138.7 Ų138.760%0.59974%0.74SS**G310 helixtrans-82.4-10.2179-56.7-47000112.1P191 S192 P193P191-D195 HydrophobicContact CB-CB 4.12Å; S192-D195 PolarHBondContact N-OD2 2.83Å; S192-D195 WeakPolarHBondContact O-CB 3.3Å; S192-D195 PolarHBondContact O-N 2.72Å; P193-D195 VanDerWaalsContact C-N 3.3Å
196Y70.2Confident67.2Low149 Ų149137.2 Ų137.258%0.58473%0.733SS**SBendtrans-84.3123173-74.3-86000110.1P191 P193 R194P191-Y196 HydrophobicContact CG-CE2 4.41Å; P193-Y196 PolarHBondContact O-N 2.9Å; R194-Y196 VanDerWaalsContact C-N 3.28Å
197P76Confident66Low108 Ų108136.6 Ų136.670%0.70172%0.717SS**PPolyproline II helixtrans-59.6141.6170.825.8-32.8000109.3K199P197-K199 PolarHBondContact O-N 2.79Å
198P75.3Confident65Low121 Ų121137.7 Ų137.779%0.78672%0.716SS**PPolyproline II helixtrans-57.1133.5176.423.5-32.2000109.4
199K74.2Confident63.9Low197 Ų197136 Ų13686%0.85771%0.71SS**PPolyproline II helixtrans-58131.5176.5-161.5174.7-173.9176.50108.4P197P197-K199 PolarHBondContact O-N 2.79Å
200P76.4Confident62.6Low106 Ų106137.2 Ų137.269%0.68870%0.7SS**PPolyproline II helixtrans-57.6144.9178.422.2-32.2000110
201P74.5Confident61.9Low109 Ų109133.4 Ų133.471%0.70870%0.699SS**PPolyproline II helixtrans-55.5144175.124.2-32.6000109.1M203P201-M203 PolarHBondContact O-N 3.15Å
202P68.1Low60.7Low119 Ų119138.8 Ų138.877%0.77372%0.718SS**PPolyproline II helixtrans-55120.3175.124-32.1000107.5R204P202-R204 PolarHBondContact O-N 2.73Å
203M57.5Low60.1Low174 Ų174143.4 Ų143.486%0.85773%0.726SS**PPolyproline II helixtrans-55.1120.5169.2-66.9176.982.800105.4P201 Q205P201-M203 PolarHBondContact O-N 3.15Å; M203-Q205 PolarHBondContact O-N 2.61Å
204R58Low59.3Low245 Ų245144.2 Ų144.293%0.92572%0.72SS**  trans-59.794.8164.1-75.4179.6165.2-120.4-0.9104.6P202 S206P202-R204 PolarHBondContact O-N 2.73Å; R204-S206 PolarHBondContact O-N 2.92Å
205Q50.8Low58.8Low165 Ų165144.1 Ų144.177%0.77172%0.72SS**  trans-59.7102.2161.9-76.6179.3-16.700103.7M203 Y207M203-Q205 PolarHBondContact O-N 2.61Å; Q205-Y207 PolarHBondContact O-N 2.82Å
206S44.5Very low57.6Low87 Ų87149 Ų14961%0.60873%0.732SS**  trans-5799.4162.153.90000104R204 D208R204-S206 PolarHBondContact O-N 2.92Å; S206-D208 WeakPolarHBondContact CB-OD2 3.43Å; S206-D208 PolarHBondContact O-N 2.81Å; S206-D208 PolarHBondContact OG-OD2 2.93Å
207Y47.1Very low56.7Low118 Ų118152 Ų15246%0.46374%0.742SS.*  trans-7975.8179.4-151.9-77.3000105.6Q205 M209 Y210Q205-Y207 PolarHBondContact O-N 2.82Å; Y207-M209 HydrophobicContact CD1-CB 3.71Å; Y207-M209 HydrophobicContact CE1-CB 3.53Å; Y207-M209 HydrophobicContact CE1-CG 4.2Å; Y207-M209 HydrophobicContact CE1-SD 4.02Å; Y207-M209 PolarHBondContact O-N 3.36Å; Y207-Y210 AromaticContact CD1-CD2 3.26Å; Y207-Y210 HydrophobicContact CD1-CD2 3.26Å; Y207-Y210 HydrophobicContact CD1-CE1 4.45Å; Y207-Y210 AromaticContact CD1-CE2 2.93Å; Y207-Y210 HydrophobicContact CD1-CE2 2.93Å; Y207-Y210 HydrophobicContact CD1-CG 4.16Å; Y207-Y210 AromaticContact CD1-CZ 3.6Å; Y207-Y210 HydrophobicContact CE1-CD1 4.26Å; Y207-Y210 AromaticContact CE1-CD2 3.56Å; Y207-Y210 HydrophobicContact CE1-CD2 3.56Å; Y207-Y210 AromaticContact CE1-CE1 3.74Å; Y207-Y210 HydrophobicContact CE1-CE1 3.74Å; Y207-Y210 AromaticContact CE1-CE2 2.97Å; Y207-Y210 HydrophobicContact CE1-CE2 2.97Å; Y207-Y210 HydrophobicContact CE1-CG 4.16Å; Y207-Y210 AromaticContact CE1-CZ 3.03Å; Y207-Y210 WeakPolarHBondContact CE1-OH 3.31Å; Y207-Y210 HydrophobicContact CG-CD2 4.27Å; Y207-Y210 AromaticContact CG-CE2 3.78Å; Y207-Y210 HydrophobicContact CG-CE2 3.78Å; Y207-Y210 AromaticContact CZ-CE2 3.85Å; Y207-Y210 AromaticContact CZ-CZ 3.63Å; Y207-Y210 VanDerWaalsContact CZ-OH 3.25Å; Y207-Y210 PolarHBondContact OH-OH 2.9Å
208D49.8Very low55.3Low144 Ų144154.8 Ų154.877%0.7775%0.746SS**  trans-72.821.9174-63-58.2000111.5S206S206-D208 WeakPolarHBondContact CB-OD2 3.43Å; S206-D208 PolarHBondContact O-N 2.81Å; S206-D208 PolarHBondContact OG-OD2 2.93Å
209M44.7Very low54.5Low143 Ų143154.7 Ų154.770%0.70475%0.745SS**  trans-116.636.5-169-167.8-153.6166.700112.7Y207Y207-M209 HydrophobicContact CD1-CB 3.71Å; Y207-M209 HydrophobicContact CE1-CB 3.53Å; Y207-M209 HydrophobicContact CE1-CG 4.2Å; Y207-M209 HydrophobicContact CE1-SD 4.02Å; Y207-M209 PolarHBondContact O-N 3.36Å
210Y46.1Very low53.6Low144 Ų144151.9 Ų151.957%0.56574%0.738SS**  trans-131.510.8169.4-64.6-65.4000114.9Y207 E212 Y213Y207-Y210 AromaticContact CD1-CD2 3.26Å; Y207-Y210 HydrophobicContact CD1-CD2 3.26Å; Y207-Y210 HydrophobicContact CD1-CE1 4.45Å; Y207-Y210 AromaticContact CD1-CE2 2.93Å; Y207-Y210 HydrophobicContact CD1-CE2 2.93Å; Y207-Y210 HydrophobicContact CD1-CG 4.16Å; Y207-Y210 AromaticContact CD1-CZ 3.6Å; Y207-Y210 HydrophobicContact CE1-CD1 4.26Å; Y207-Y210 AromaticContact CE1-CD2 3.56Å; Y207-Y210 HydrophobicContact CE1-CD2 3.56Å; Y207-Y210 AromaticContact CE1-CE1 3.74Å; Y207-Y210 HydrophobicContact CE1-CE1 3.74Å; Y207-Y210 AromaticContact CE1-CE2 2.97Å; Y207-Y210 HydrophobicContact CE1-CE2 2.97Å; Y207-Y210 HydrophobicContact CE1-CG 4.16Å; Y207-Y210 AromaticContact CE1-CZ 3.03Å; Y207-Y210 WeakPolarHBondContact CE1-OH 3.31Å; Y207-Y210 HydrophobicContact CG-CD2 4.27Å; Y207-Y210 AromaticContact CG-CE2 3.78Å; Y207-Y210 HydrophobicContact CG-CE2 3.78Å; Y207-Y210 AromaticContact CZ-CE2 3.85Å; Y207-Y210 AromaticContact CZ-CZ 3.63Å; Y207-Y210 VanDerWaalsContact CZ-OH 3.25Å; Y207-Y210 PolarHBondContact OH-OH 2.9Å; Y210-E212 VanDerWaalsContact C-N 3.26Å; Y210-E212 PolarHBondContact O-N 2.9Å; Y210-E212 VanDerWaalsContact O-N 3.1Å; Y210-Y213 VanDerWaalsContact O-CD1 3.3Å; Y210-Y213 WeakPolarHBondContact O-CD1 3.42Å; Y210-Y213 WeakPolarHBondContact O-CE1 3.47Å
211G51.9Low52.6Low75 Ų75152.2 Ų152.277%0.77374%0.738SS**THydrogen-bonded Turntrans-76.915.9-174.800000117.5
212E42.3Very low51.9Low183 Ų183152.7 Ų152.786%0.85574%0.741SS**THydrogen-bonded Turntrans-121.2-4.1-171-136.8178.1-161.500116.3Y210Y210-E212 VanDerWaalsContact C-N 3.26Å; Y210-E212 PolarHBondContact O-N 2.9Å; Y210-E212 VanDerWaalsContact O-N 3.1Å
213Y49.4Very low51.2Low165 Ų165153 Ų15365%0.64775%0.746SS**SBendtrans-93.4-8.6-179.873.9-87000114.6Y210 R215Y210-Y213 VanDerWaalsContact O-CD1 3.3Å; Y210-Y213 WeakPolarHBondContact O-CD1 3.42Å; Y210-Y213 WeakPolarHBondContact O-CE1 3.47Å; Y213-R215 VanDerWaalsContact C-N 3.29Å; Y213-R215 PolarHBondContact O-N 3.22Å
214E51.1Low50.9Low131 Ų131147.1 Ų147.161%0.61273%0.73SS**G310 helixtrans-75.5-7.6178.1-81.4104177.900115
215R54.6Low50.9Low232 Ų232141.1 Ų141.188%0.87572%0.723SS**G310 helixtrans-82.7-8.7-178.5-78.3-150.6-178-142.73.7116.2Y213Y213-R215 VanDerWaalsContact C-N 3.29Å; Y213-R215 PolarHBondContact O-N 3.22Å
216Y47.9Very low51.1Low214 Ų214139.3 Ų139.384%0.83973%0.725SS**G310 helixtrans-12621.8-175.2-78.8-79.9000115.2E218Y216-E218 PolarHBondContact O-N 3.02Å
217R51.6Low51.5Low212 Ų212145.7 Ų145.780%0.874%0.736SS**  trans-7892.3168.7-126.7-174.1-165.8-110.14.4109.3
218E46.1Very low52Low167 Ų167144.6 Ų144.678%0.7875%0.752SS**  trans-54.6139.6169.3-65.4-178114.300110Y216 I220Y216-E218 PolarHBondContact O-N 3.02Å; E218-I220 PolarHBondContact O-N 3.12Å; E218-I220 VanDerWaalsContact O-N 3.13Å
219P58.2Low52.2Low119 Ų119144 Ų14477%0.77375%0.748SS**  trans-64.2117.7-179.526.1-32.4000108.9T221P219-T221 PolarHBondContact O-N 3.19Å
220I55.1Low52.5Low137 Ų137144 Ų14470%0.70375%0.752SS**  trans-62.8100.6171.7-56.8167.7000106.2E218 P222E218-I220 PolarHBondContact O-N 3.12Å; E218-I220 VanDerWaalsContact O-N 3.13Å; I220-P222 WeakPolarHBondContact O-CD 3.45Å
221T55Low52.4Low113 Ų113145.5 Ų145.569%0.69376%0.757SS**  trans-68.1124.1170.744.80000107.5P219 S223P219-T221 PolarHBondContact O-N 3.19Å; T221-S223 PolarHBondContact O-N 3.03Å
222P59.6Low52.1Low120 Ų120150.4 Ų150.478%0.77975%0.754SS**  trans-66.896.6179.3-17.430.3000109.4I220 G224I220-P222 WeakPolarHBondContact O-CD 3.45Å; P222-G224 VanDerWaalsContact C-N 3.26Å; P222-G224 PolarHBondContact O-N 2.84Å
223S53.2Low52.6Low126 Ų126147.7 Ų147.788%0.88175%0.745SS**  trans-7581.2171.8630000109T221T221-S223 PolarHBondContact O-N 3.03Å
224G52.1Low52.7Low50 Ų50145.1 Ų145.152%0.51575%0.747SS.*SBendtrans146.4146.1164.500000114.6P222P222-G224 VanDerWaalsContact C-N 3.26Å; P222-G224 PolarHBondContact O-N 2.84Å
225P57Low52.3Low118 Ų118148.5 Ų148.577%0.76676%0.755SS**PPolyproline II helixtrans-61.2150.5179.526.4-33.7000111.5R227P225-R227 PolarHBondContact O-N 2.81Å
226P55.8Low51.7Low128 Ų128140.3 Ų140.383%0.83174%0.743SS**PPolyproline II helixtrans-58.1127.8-177.423.2-32.5000110.7
227R53.5Low51.6Low220 Ų220135 Ų13583%0.8374%0.737SS**PPolyproline II helixtrans-74.4126.7173-77-179.3156.1118.8-3.9108.5P225 N229P225-R227 PolarHBondContact O-N 2.81Å; R227-N229 PolarHBondContact O-N 2.95Å
228A56Low51.2Low96 Ų96135.8 Ų135.879%0.79374%0.742SS**THydrogen-bonded Turntrans-71.527.5-176.500000115.6
229N56Low51.1Low130 Ų130132.5 Ų132.570%0.69574%0.737SS**THydrogen-bonded Turntrans-108.912.8-172.9-73.10.9000114.2R227 Y231R227-N229 PolarHBondContact O-N 2.95Å; N229-Y231 PolarHBondContact O-N 2.83Å
230D49Very low50.6Low145 Ų145132.3 Ų132.378%0.77574%0.739SS**  trans-76.311.3172.9-61-40.1000113.3Y232D230-Y232 PolarHBondContact O-N 2.68Å
231Y45Very low49.9Very low175 Ų175129 Ų12969%0.68674%0.739SS**  trans-77.846.8173.2-154.5-101.4000112N229 D233 T234N229-Y231 PolarHBondContact O-N 2.83Å; Y231-D233 PolarHBondContact O-N 3.04Å; Y231-T234 PolarHBondContact O-OG1 2.84Å
232Y46.5Very low49.4Very low178 Ų178130.9 Ų130.970%0.69874%0.744SS**G310 helixtrans-77.110.7170.9-99.2-90.2000112.7D230 T234 Y235D230-Y232 PolarHBondContact O-N 2.68Å; Y232-T234 PolarHBondContact O-N 3.04Å; Y232-Y235 AromaticContact CD1-CD2 3.87Å; Y232-Y235 HydrophobicContact CD1-CD2 3.87Å; Y232-Y235 AromaticContact CD1-CE2 3.92Å; Y232-Y235 HydrophobicContact CD1-CE2 3.92Å; Y232-Y235 HydrophobicContact CE1-CD2 4.29Å; Y232-Y235 AromaticContact CE1-CE2 3.85Å; Y232-Y235 HydrophobicContact CE1-CE2 3.85Å; Y232-Y235 PolarHBondContact O-N 2.65Å
233D51.6Low48.7Very low125 Ų125134.1 Ų134.167%0.66874%0.742SS**G310 helixtrans-60.7-5161.8-67.7-57.1000113.3Y231 Y235Y231-D233 PolarHBondContact O-N 3.04Å; D233-Y235 PolarHBondContact O-N 3.42Å
234T50.9Low48.3Very low112 Ų112136 Ų13669%0.68774%0.737SS**G310 helixtrans-69.3-12.9174.3-48.80000112.6Y231 Y232 G236Y231-T234 PolarHBondContact O-OG1 2.84Å; Y232-T234 PolarHBondContact O-N 3.04Å; T234-G236 PolarHBondContact O-N 3.04Å
235Y42.7Very low48.1Very low202 Ų202139 Ų13979%0.79274%0.742SS**  trans-84.748.9170.1-78.8-87.8000112.2Y232 D233Y232-Y235 AromaticContact CD1-CD2 3.87Å; Y232-Y235 HydrophobicContact CD1-CD2 3.87Å; Y232-Y235 AromaticContact CD1-CE2 3.92Å; Y232-Y235 HydrophobicContact CD1-CE2 3.92Å; Y232-Y235 HydrophobicContact CE1-CD2 4.29Å; Y232-Y235 AromaticContact CE1-CE2 3.85Å; Y232-Y235 HydrophobicContact CE1-CE2 3.85Å; Y232-Y235 PolarHBondContact O-N 2.65Å; D233-Y235 PolarHBondContact O-N 3.42Å
236G44Very low47.7Very low60 Ų60141.7 Ų141.762%0.61974%0.738SS**  trans-96.2106.3172.900000111.7T234T234-G236 PolarHBondContact O-N 3.04Å
237S43.9Very low47.5Very low102 Ų102145.3 Ų145.371%0.71374%0.735SS**  trans71.786.3154.8-1550000117.4S239S237-S239 PolarHBondContact O-N 2.76Å
238Y44.6Very low47.2Very low228 Ų228143.5 Ų143.589%0.89474%0.736SS**  trans-6373.2149.446.6-84.5000109.3S240Y238-S240 PolarHBondContact O-N 3.01Å
239S44.3Very low46.8Very low99 Ų99143 Ų14369%0.69273%0.727SS**  trans-73.2118.8164.1-165.80000107.5S237 G241S237-S239 PolarHBondContact O-N 2.76Å; S239-G241 PolarHBondContact O-N 2.87Å
240S46.1Very low46.4Very low114 Ų114144.4 Ų144.480%0.79773%0.734SS**  trans-5388.3-179.554.70000112Y238Y238-S240 PolarHBondContact O-N 3.01Å
241G41.7Very low46.6Very low68 Ų68148 Ų14870%0.70174%0.737SS**  trans-80.6121.1165.600000109.1S239 Y243S239-G241 PolarHBondContact O-N 2.87Å; G241-Y243 PolarHBondContact O-N 3.1Å
242N43.1Very low46.7Very low153 Ų153144.1 Ų144.182%0.81874%0.735SS**  trans-40.8123.4-178.7-69-73000113.4E244N242-E244 VanDerWaalsContact C-N 3.27Å; N242-E244 PolarHBondContact O-N 3.25Å; N242-E244 VanDerWaalsContact O-N 3.14Å
243Y45.2Very low46.6Very low188 Ų188144.5 Ų144.574%0.73775%0.745SS**  trans-83.872.3171.6-153.7-90000108.1G241 Y246G241-Y243 PolarHBondContact O-N 3.1Å; Y243-Y246 HydrophobicContact CD1-CD2 4.25Å; Y243-Y246 HydrophobicContact CD1-CE2 4.19Å; Y243-Y246 HydrophobicContact CD2-CE2 4.28Å; Y243-Y246 AromaticContact CE1-CD2 3.68Å; Y243-Y246 HydrophobicContact CE1-CD2 3.68Å; Y243-Y246 AromaticContact CE1-CE2 3.63Å; Y243-Y246 HydrophobicContact CE1-CE2 3.63Å; Y243-Y246 AromaticContact CE2-CE2 3.74Å; Y243-Y246 HydrophobicContact CE2-CE2 3.74Å; Y243-Y246 HydrophobicContact CG-CE2 4.49Å; Y243-Y246 AromaticContact CZ-CD2 3.9Å; Y243-Y246 AromaticContact CZ-CE2 3.38Å
244E45.6Very low46.6Very low164 Ų164142.9 Ų142.977%0.76674%0.744SS**  trans-126.9141173.7-69.1-75.9150.600107.9N242N242-E244 VanDerWaalsContact C-N 3.27Å; N242-E244 PolarHBondContact O-N 3.25Å; N242-E244 VanDerWaalsContact O-N 3.14Å
245D48.3Very low46.5Very low115 Ų115144.9 Ų144.962%0.61575%0.751SS**  trans76.955.3-179.5-88.6-60.4000117.8R247D245-R247 VanDerWaalsContact C-N 3.33Å; D245-R247 PolarHBondContact O-N 2.85Å; D245-R247 WeakPolarHBondContact OD1-CD 3.22Å; D245-R247 VanDerWaalsContact OD1-CG 3.26Å; D245-R247 WeakPolarHBondContact OD1-CG 3.49Å; D245-R247 IonicContact OD1-CZ 2.92Å; D245-R247 IonicContact OD1-NE 3Å; D245-R247 PolarHBondContact OD1-NE 2.88Å
246Y48.3Very low46.9Very low174 Ų174145.4 Ų145.468%0.68275%0.752SS**  trans-88.382.7138.3-64.4-83000107.9Y243 E248Y243-Y246 HydrophobicContact CD1-CD2 4.25Å; Y243-Y246 HydrophobicContact CD1-CE2 4.19Å; Y243-Y246 HydrophobicContact CD2-CE2 4.28Å; Y243-Y246 AromaticContact CE1-CD2 3.68Å; Y243-Y246 HydrophobicContact CE1-CD2 3.68Å; Y243-Y246 AromaticContact CE1-CE2 3.63Å; Y243-Y246 HydrophobicContact CE1-CE2 3.63Å; Y243-Y246 AromaticContact CE2-CE2 3.74Å; Y243-Y246 HydrophobicContact CE2-CE2 3.74Å; Y243-Y246 HydrophobicContact CG-CE2 4.49Å; Y243-Y246 AromaticContact CZ-CD2 3.9Å; Y243-Y246 AromaticContact CZ-CE2 3.38Å; Y246-E248 VanDerWaalsContact C-N 3.35Å; Y246-E248 PolarHBondContact O-N 2.86Å
247R51.4Low47.1Very low203 Ų203149.8 Ų149.877%0.76676%0.762SS**  trans-69.1101.8161.3-77.4-178.2-163.9-159.4-2.3107.5D245 S249D245-R247 VanDerWaalsContact C-N 3.33Å; D245-R247 PolarHBondContact O-N 2.85Å; D245-R247 WeakPolarHBondContact OD1-CD 3.22Å; D245-R247 VanDerWaalsContact OD1-CG 3.26Å; D245-R247 WeakPolarHBondContact OD1-CG 3.49Å; D245-R247 IonicContact OD1-CZ 2.92Å; D245-R247 IonicContact OD1-NE 3Å; D245-R247 PolarHBondContact OD1-NE 2.88Å; R247-S249 PolarHBondContact O-N 2.74Å
248E46.9Very low47.4Very low183 Ų183147.9 Ų147.986%0.85575%0.749SS**  trans-53.181.1154.8-73.1164.312800107.8Y246 D250Y246-E248 VanDerWaalsContact C-N 3.35Å; Y246-E248 PolarHBondContact O-N 2.86Å; E248-D250 PolarHBondContact O-N 3.04Å
249S46.8Very low47.2Very low86 Ų86140.2 Ų140.260%0.60174%0.739SS**  trans-76.2116.3157.148.60000105.2R247 R251R247-S249 PolarHBondContact O-N 2.74Å; S249-R251 PolarHBondContact O-N 2.8Å
250D48.9Very low47.5Very low159 Ų159144.5 Ų144.585%0.8574%0.741SS**  trans-45.962.9177.4-59.4-100.2000114.4E248 S252E248-D250 PolarHBondContact O-N 3.04Å; D250-S252 PolarHBondContact O-N 2.81Å
251R52Low47.6Very low221 Ų221145.6 Ų145.683%0.83474%0.738SS**  trans-74.285161.8-72.8-171-176.5151.23.4106.2S249 M253S249-R251 PolarHBondContact O-N 2.8Å; R251-M253 PolarHBondContact O-N 2.78Å
252S48.8Very low47.8Very low93 Ų93152.9 Ų152.965%0.6575%0.746SS**  trans-27112.3161.355.30000109.5D250 S254D250-S252 PolarHBondContact O-N 2.81Å; S252-S254 PolarHBondContact O-N 3.24Å
253M44.1Very low48.1Very low185 Ų185149.6 Ų149.691%0.91174%0.735SS**  trans-50.982.7155-103.885.1171.600106.8R251 N255R251-M253 PolarHBondContact O-N 2.78Å; M253-N255 PolarHBondContact O-N 2.9Å
254S50.9Low48.2Very low92 Ų92150.2 Ų150.264%0.64374%0.737SS**  trans-7890.3167.738.70000104.4S252 Y256S252-S254 PolarHBondContact O-N 3.24Å; S254-Y256 VanDerWaalsContact C-N 3.33Å; S254-Y256 PolarHBondContact O-N 3.01Å
255N49.4Very low48.4Very low154 Ų154151.9 Ų151.982%0.82474%0.738SS**  trans16.773.3154.4-57.3-29.8000113.2M253 D257M253-N255 PolarHBondContact O-N 2.9Å; N255-D257 PolarHBondContact O-N 3.09Å
256Y50.4Low48.6Very low212 Ų212152.6 Ų152.683%0.83174%0.742SS**  trans-78.485.3167-155.3-98.4000105.5S254 S258S254-Y256 VanDerWaalsContact C-N 3.33Å; S254-Y256 PolarHBondContact O-N 3.01Å; Y256-S258 PolarHBondContact O-N 3.04Å
257D47.9Very low48.8Very low153 Ų153154 Ų15482%0.81875%0.747SS**  trans-64.173.5166.7-170-100.4000107.6N255 G259N255-D257 PolarHBondContact O-N 3.09Å; D257-G259 PolarHBondContact O-N 3.5Å
258S50Low48.5Very low62 Ų62146.6 Ų146.643%0.43473%0.734SS.*  trans-7981.8166.467.40000107.1Y256 Y260Y256-S258 PolarHBondContact O-N 3.04Å; S258-Y260 PolarHBondContact O-N 2.9Å; S258-Y260 WeakPolarHBondContact OG-CD2 3.26Å; S258-Y260 WeakPolarHBondContact OG-CE2 3.38Å
259G41.6Very low48.7Very low66 Ų66146.1 Ų146.168%0.6873%0.734SS**  trans-59.983.5162.900000109.5D257 D261D257-G259 PolarHBondContact O-N 3.5Å; G259-D261 PolarHBondContact O-N 3.24Å; G259-D261 VanDerWaalsContact O-N 3.12Å
260Y50.2Low48.9Very low190 Ų190149.2 Ų149.275%0.74574%0.744SS**  trans-74.195.7164.5-80.4-83.1000107.2S258 Y262S258-Y260 PolarHBondContact O-N 2.9Å; S258-Y260 WeakPolarHBondContact OG-CD2 3.26Å; S258-Y260 WeakPolarHBondContact OG-CE2 3.38Å; Y260-Y262 PolarHBondContact O-N 3.14Å
261D48.1Very low49.3Very low136 Ų136146.8 Ų146.873%0.72774%0.739SS**  trans-68.9102.6168.1179.925000108.9G259 S263G259-D261 PolarHBondContact O-N 3.24Å; G259-D261 VanDerWaalsContact O-N 3.12Å; D261-S263 PolarHBondContact O-N 3.34Å; D261-S263 PolarHBondContact OD1-N 3.1Å
262Y45.6Very low49.3Very low222 Ų222146.7 Ų146.787%0.87174%0.739SS**  trans-75.678.4161.1-89.1-94000107.4Y260 Y264Y260-Y262 PolarHBondContact O-N 3.14Å; Y262-Y264 PolarHBondContact O-N 3.35Å
263S50.3Low49.4Very low84 Ų84147.6 Ų147.659%0.58775%0.746SS**  trans-62.7104.116966.10000107.7D261 Y265D261-S263 PolarHBondContact O-N 3.34Å; D261-S263 PolarHBondContact OD1-N 3.1Å; S263-Y265 PolarHBondContact O-N 3.01Å
264Y47.2Very low50.1Low200 Ų200144.5 Ų144.578%0.78474%0.739SS**  trans-37.3116.1171.2-173.2-103.8000110.6Y262 D266Y262-Y264 PolarHBondContact O-N 3.35Å; Y264-D266 VanDerWaalsContact C-N 3.35Å; Y264-D266 PolarHBondContact O-N 2.82Å
265Y49.8Very low50.5Low199 Ų199146.7 Ų146.778%0.7875%0.748SS**  trans-60.3103.5165.9-74.4-85.2000107.1S263 Y267S263-Y265 PolarHBondContact O-N 3.01Å; Y265-Y267 VanDerWaalsContact C-N 3.31Å; Y265-Y267 WeakPolarHBondContact O-CD2 3.45Å; Y265-Y267 PolarHBondContact O-N 2.85Å
266D52.9Low51.2Low131 Ų131144.3 Ų144.370%0.70174%0.741SS**  trans-6098.2165.5-176.759.5000106.9Y264 G268Y264-D266 VanDerWaalsContact C-N 3.35Å; Y264-D266 PolarHBondContact O-N 2.82Å; D266-G268 PolarHBondContact O-N 3.33Å
267Y51.5Low51.8Low203 Ų203140.3 Ų140.380%0.79674%0.741SS**  trans-65.189.8161.9-74.4-85.8000105.6Y265 M269Y265-Y267 VanDerWaalsContact C-N 3.31Å; Y265-Y267 WeakPolarHBondContact O-CD2 3.45Å; Y265-Y267 PolarHBondContact O-N 2.85Å; Y267-M269 PolarHBondContact O-N 3.13Å
268G45.9Very low52.3Low48 Ų48144.9 Ų144.950%0.49575%0.747SS.*  trans-42.1111172.400000107.9D266 D270D266-G268 PolarHBondContact O-N 3.33Å; G268-D270 VanDerWaalsContact C-N 3.28Å; G268-D270 PolarHBondContact O-N 3.18Å
269M51.2Low52.7Low173 Ų173145.9 Ų145.985%0.85275%0.754SS**  trans-60.597.1174.4-72.4-130.815000107.3Y267 S271Y267-M269 PolarHBondContact O-N 3.13Å; M269-S271 PolarHBondContact O-N 3.3Å; M269-S271 PolarHBondContact O-OG 3.28Å
270D51.1Low53.2Low150 Ų150146.4 Ų146.480%0.80276%0.759SS**  trans-63.679.1157.1-80.8-54.1000107.4G268 R272G268-D270 VanDerWaalsContact C-N 3.28Å; G268-D270 PolarHBondContact O-N 3.18Å; D270-R272 PolarHBondContact O-N 2.88Å
271S56.8Low53.5Low109 Ų109145.9 Ų145.976%0.76276%0.757SS**  trans-68.761.2166.545.50000108.8M269M269-S271 PolarHBondContact O-N 3.3Å; M269-S271 PolarHBondContact O-OG 3.28Å
272R51.7Low54Low218 Ų218145 Ų14582%0.82376%0.762SS**  trans-122.659167.7-70.6-176.6175.6-137.61108.4D270 P274D270-R272 PolarHBondContact O-N 2.88Å; R272-P274 VanDerWaalsContact O-CD 3.25Å; R272-P274 WeakPolarHBondContact O-CD 3.35Å
273S51.6Low54.6Low113 Ų113144.1 Ų144.179%0.7976%0.758SS**PPolyproline II helixtrans-67.4116.5158.9-64.40000107.7V275S273-V275 PolarHBondContact O-N 3.06Å
274P57.3Low54.8Low119 Ų119143.6 Ų143.677%0.77377%0.766SS**PPolyproline II helixtrans-63.1127.2179.123.8-30.8000109.6R272R272-P274 VanDerWaalsContact O-CD 3.25Å; R272-P274 WeakPolarHBondContact O-CD 3.35Å
275V59.9Low55Low138 Ų138145.4 Ų145.484%0.83677%0.772SS**PPolyproline II helixtrans-58126.5175-135.40000108.5S273S273-V275 PolarHBondContact O-N 3.06Å
276P64.5Low55.2Low105 Ų105145.4 Ų145.468%0.68280%0.796SS**PPolyproline II helixtrans-65.5148.9177.725.9-33.3000110.9R278P276-R278 PolarHBondContact O-N 3.26Å
277P63.9Low55.3Low128 Ų128146.1 Ų146.183%0.83180%0.8SS**PPolyproline II helixtrans-61128.5179.224.5-32.4000110.4S279P277-S279 PolarHBondContact O-N 3.33Å
278R57.5Low55.5Low248 Ų248143.1 Ų143.194%0.93680%0.801SS**  trans-61.3103.3169.5-77.3-178164.6-156.9-3.7108.5P276 G280P276-R278 PolarHBondContact O-N 3.26Å; R278-G280 PolarHBondContact O-N 3.06Å; R278-G280 VanDerWaalsContact O-N 3.09Å
279S58.1Low56.1Low84 Ų84148.4 Ų148.459%0.58782%0.818SS**  trans-68.7107.2164.961.60000107.9P277 Y281P277-S279 PolarHBondContact O-N 3.33Å; S279-Y281 VanDerWaalsContact C-N 3.34Å; S279-Y281 PolarHBondContact O-N 3.32Å; S279-Y281 VanDerWaalsContact OG-CE2 3.27Å; S279-Y281 WeakPolarHBondContact OG-CE2 3.3Å
280G52.3Low56.3Low76 Ų76146.9 Ų146.978%0.78482%0.816SS**  trans-67.495169.600000108.8R278 S282R278-G280 PolarHBondContact O-N 3.06Å; R278-G280 VanDerWaalsContact O-N 3.09Å; G280-S282 VanDerWaalsContact C-N 3.33Å; G280-S282 PolarHBondContact O-N 2.95Å
281Y56.8Low56.7Low180 Ų180146.8 Ų146.871%0.70682%0.817SS**  trans-69.698.8160.2-73.8-82.7000107.3S279 Y283S279-Y281 VanDerWaalsContact C-N 3.34Å; S279-Y281 PolarHBondContact O-N 3.32Å; S279-Y281 VanDerWaalsContact OG-CE2 3.27Å; S279-Y281 WeakPolarHBondContact OG-CE2 3.3Å; Y281-Y283 VanDerWaalsContact C-N 3.34Å; Y281-Y283 VanDerWaalsContact O-CD2 3.25Å; Y281-Y283 WeakPolarHBondContact O-CD2 3.4Å; Y281-Y283 PolarHBondContact O-N 2.85Å
282S57.9Low56.7Low117 Ų117149.3 Ų149.382%0.81882%0.82SS**  trans-61.795.7166.7168.30000108.3G280 G284G280-S282 VanDerWaalsContact C-N 3.33Å; G280-S282 PolarHBondContact O-N 2.95Å; S282-G284 PolarHBondContact O-N 2.88Å
283Y58.1Low57Low203 Ų203144.4 Ų144.480%0.79682%0.82SS**  trans-68.2115.9165.6-71.7-84.9000108.2Y281 R285Y281-Y283 VanDerWaalsContact C-N 3.34Å; Y281-Y283 VanDerWaalsContact O-CD2 3.25Å; Y281-Y283 WeakPolarHBondContact O-CD2 3.4Å; Y281-Y283 PolarHBondContact O-N 2.85Å; Y283-R285 PolarHBondContact O-N 2.87Å
284G54.9Low57.4Low73 Ų73146.8 Ų146.875%0.75382%0.822SS**  trans-49.2125.8168.100000109.8S282S282-G284 PolarHBondContact O-N 2.88Å
285R50.7Low57.4Low239 Ų239149.1 Ų149.190%0.90283%0.826SS**  trans-74.5149.5161.5-89.7-178165.1-129.2-1108.7Y283Y283-R285 PolarHBondContact O-N 2.87Å
286P54.8Low57.2Low198 Ų198150.1 Ų150.1100%1.28683%0.825SS**  trans-67.50-15828.9-37.7000114.6

Retrieved 286 of 286 residues in 314 ms (Link to these results)

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