A0A075B5N7_MOUSE Loading...

Immunoglobulin kappa variable 6-13

AlphaFold DB , UniProt , Accession A0A075B5N7, Species MOUSE (Mus musculus, Mouse), Gene Igkv6-13, Length 95 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
1D87.9Confident91.3Very high165 Ų16598.9 Ų98.988%0.88251%0.505SS*.  0153.60-55.1-13.9000112.1
2I94.2Very high91.3Very high26 Ų26101.3 Ų101.313%0.13354%0.537CS..  trans-91.1123.2173.2-56.3-177.3000108M4 A25 Q27 V29 Q90 S93I2-M4 HydrophobicContact CG2-SD 4.47Å; I2-A25 HydrophobicContact CG2-CB 4.28Å; I2-Q27 HydrophobicContact CD1-CB 4.47Å; I2-Q27 HydrophobicContact CG1-CB 4.38Å; I2-V29 HydrophobicContact CD1-CG1 3.65Å; I2-V29 HydrophobicContact CG2-CG1 3.81Å; I2-Q90 HydrophobicContact CB-CG 4.08Å; I2-Q90 HydrophobicContact CG2-CG 4.02Å; I2-S93 WeakPolarHBondContact CD1-OG 3.43Å
3V95.9Very high91.3Very high85 Ų8596.9 Ų96.952%0.51552%0.517SS..  trans-93.9132.1179.8-178.60000109.2A25 S26V3-A25 CarbonylContact O-C 3.47Å; V3-A25 WeakPolarHBondContact O-CA 3.35Å; V3-S26 PolarHBondContact N-OG 3.23Å; V3-S26 PolarHBondContact O-N 2.59Å
4M96.4Very high91.6Very high45 Ų4595.4 Ų95.422%0.22252%0.517CS..EExtended strand (participates in β ladder)trans-107121.9175.5-60.9-60.9-84.200109.5I2 C23 A25 V33 C88 Q90I2-M4 HydrophobicContact CG2-SD 4.47Å; M4-C23 WeakPolarHBondContact CE-SG 3.48Å; M4-A25 HydrophobicContact CE-CB 4.4Å; M4-A25 HydrophobicContact SD-CB 3.57Å; M4-A25 VanDerWaalsContact SD-CB 3.57Å; M4-V33 HydrophobicContact CE-CG1 4.22Å; M4-V33 HydrophobicContact CE-CG2 3.87Å; M4-C88 HydrophobicContact CE-CB 4.38Å; M4-Q90 HydrophobicContact CE-CB 4.02Å; M4-Q90 HydrophobicContact CG-CB 4.26Å; M4-Q90 HydrophobicContact CG-CG 4.1Å; M4-Q90 HydrophobicContact SD-CB 3.78Å; M4-Q90 HydrophobicContact SD-CG 4.04Å
5T97.8Very high91.8Very high84 Ų8495.6 Ų95.652%0.51552%0.523SS..EExtended strand (participates in β ladder)trans-118.8117.9-176.4-56.50000110.4C23 K24T5-C23 CarbonylContact O-C 3.55Å; T5-C23 WeakPolarHBondContact O-CA 3.44Å; T5-K24 PolarHBondContact N-O 3.05Å; T5-K24 PolarHBondContact O-N 3.32Å
6Q96.8Very high92.1Very high56 Ų5692.3 Ų92.326%0.26252%0.517SS..EExtended strand (participates in β ladder)trans-93.1135.5169.5-76.3173.6-125.100110.6T22 C23 Y86 C88Q6-T22 WeakPolarHBondContact CA-O 3Å; Q6-C23 HydrophobicContact CG-CB 4.04Å; Q6-Y86 PolarHBondContact NE2-O 2.96Å; Q6-Y86 PolarHBondContact OE1-O 2.88Å; Q6-C88 PolarHBondContact OE1-SG 2.96Å; Q6-C88 VanDerWaalsContact OE1-SG 3.41Å
7S87.6Confident92.4Very high78 Ų7890.8 Ų90.855%0.54551%0.508SS..SBendtrans-77.5-36.5-172.455.40000113.5T22S7-T22 WeakPolarHBondContact CB-OG1 3.19Å; S7-T22 PolarHBondContact N-O 2.72Å; S7-T22 PolarHBondContact OG-OG1 3.38Å
8Q85.1Confident92.7Very high99 Ų9995.1 Ų95.146%0.46352%0.515SS..  trans-103.3118.6-176.6-60.6-102.7-12.100109.2M11Q8-M11 HydrophobicContact CB-CG 3.84Å; Q8-M11 HydrophobicContact CB-SD 3.89Å; Q8-M11 HydrophobicContact CG-CG 4.19Å; Q8-M11 HydrophobicContact CG-SD 3.91Å; Q8-M11 VanDerWaalsContact OE1-CG 3.24Å
9K83.8Confident92.8Very high191 Ų19190.6 Ų90.683%0.8349%0.491SS*.SBendtrans-77.9-37.6173.1-75.7-172.8177.7-177.70112.4
10F89.1Confident93Very high174 Ų17488.7 Ų88.776%0.76349%0.485SS*.  trans-145.6142.3-179.9-66.9-78.6000109.3
11M89.6Confident93.1Very high85 Ų8585.1 Ų85.142%0.41947%0.465SS..  trans-132.7133.9177.3-65.4-177.172.900109.3Q8 V19 I21Q8-M11 HydrophobicContact CB-CG 3.84Å; Q8-M11 HydrophobicContact CB-SD 3.89Å; Q8-M11 HydrophobicContact CG-CG 4.19Å; Q8-M11 HydrophobicContact CG-SD 3.91Å; Q8-M11 VanDerWaalsContact OE1-CG 3.24Å; M11-V19 HydrophobicContact CE-CG1 3.77Å; M11-V19 HydrophobicContact SD-CG1 4Å; M11-I21 HydrophobicContact SD-CG1 4.24Å
12S91.7Very high93.6Very high128 Ų12880 Ų8090%0.89544%0.44SS*.  trans-100.9134.3168174.50000108.4
13T91Very high93.8Very high44 Ų4478.9 Ų78.927%0.2743%0.434SS..  trans-151.7156.4-176.3-172.20000110D17 V19 M78T13-D17 WeakPolarHBondContact OG1-CB 3.47Å; T13-D17 PolarHBondContact OG1-OD2 3.3Å; T13-D17 VanDerWaalsContact OG1-OD2 3.13Å; T13-V19 HydrophobicContact CG2-CG2 3.88Å; T13-V19 WeakPolarHBondContact OG1-CG2 3.36Å; T13-M78 HydrophobicContact CG2-CE 4.06Å; T13-M78 HydrophobicContact CG2-CG 3.8Å; T13-M78 HydrophobicContact CG2-SD 4.33Å
14S95Very high93.9Very high75 Ų7580 Ų8052%0.52443%0.432SS..  trans-95.9155.6174.9-53.40000110.9G16 D17S14-G16 PolarHBondContact O-N 3.31Å; S14-D17 WeakPolarHBondContact CB-OD2 3.45Å; S14-D17 PolarHBondContact N-OD2 2.73Å; S14-D17 VanDerWaalsContact O-CB 3.29Å; S14-D17 WeakPolarHBondContact O-CB 3.36Å; S14-D17 PolarHBondContact O-N 3.44Å; S14-D17 VanDerWaalsContact O-N 3.12Å
15V95.7Very high94Very high99 Ų9978 Ų7860%0.642%0.423SS*.THydrogen-bonded Turntrans-58.2133.4168.1175.60000108.7M78V15-M78 CarbonylContact C-O 3.59Å; V15-M78 WeakPolarHBondContact CA-O 3.42Å
16G96.7Very high93.9Very high42 Ų4277.3 Ų77.343%0.43342%0.422SS..THydrogen-bonded Turntrans98.2-21.8-17500000114.6S14 N77 M78S14-G16 PolarHBondContact O-N 3.31Å; G16-N77 VanDerWaalsContact CA-OD1 3.3Å; G16-N77 WeakPolarHBondContact CA-OD1 3.48Å; G16-M78 PolarHBondContact N-O 3.05Å
17D97Very high93.9Very high68 Ų6879.7 Ų79.736%0.36443%0.432SS..  trans-69.3154.8-176.8-72.7-12000112T13 S14 M78T13-D17 WeakPolarHBondContact OG1-CB 3.47Å; T13-D17 PolarHBondContact OG1-OD2 3.3Å; T13-D17 VanDerWaalsContact OG1-OD2 3.13Å; S14-D17 WeakPolarHBondContact CB-OD2 3.45Å; S14-D17 PolarHBondContact N-OD2 2.73Å; S14-D17 VanDerWaalsContact O-CB 3.29Å; S14-D17 WeakPolarHBondContact O-CB 3.36Å; S14-D17 PolarHBondContact O-N 3.44Å; S14-D17 VanDerWaalsContact O-N 3.12Å; D17-M78 WeakPolarHBondContact O-CB 3.35Å; D17-M78 PolarHBondContact O-N 2.88Å
18R97Very high94.4Very high167 Ų16781.6 Ų81.663%0.6344%0.437SS*.  trans-90124.1166178.4179.7-179.3120-1.8109.8T74 I75R18-T74 HydrophobicContact CG-CG2 4.18Å; R18-I75 CarbonylContact C-O 3.53Å; R18-I75 WeakPolarHBondContact CA-O 3.26Å
19V95.3Very high95Very high10 Ų1077.2 Ų77.26%0.06142%0.416CS..EExtended strand (participates in β ladder)trans-112.9139.1177-1790000109.9M11 T13 I21 T74 I75 M78M11-V19 HydrophobicContact CE-CG1 3.77Å; M11-V19 HydrophobicContact SD-CG1 4Å; T13-V19 HydrophobicContact CG2-CG2 3.88Å; T13-V19 WeakPolarHBondContact OG1-CG2 3.36Å; V19-I21 HydrophobicContact CG1-CG1 4.29Å; V19-T74 CarbonylContact O-C 3.56Å; V19-T74 VanDerWaalsContact O-CA 3.31Å; V19-T74 WeakPolarHBondContact O-CA 3.44Å; V19-I75 HydrophobicContact CB-CB 4.42Å; V19-I75 PolarHBondContact N-O 3.28Å; V19-I75 PolarHBondContact O-N 2.82Å; V19-M78 HydrophobicContact CG2-CB 4.44Å; V19-M78 HydrophobicContact CG2-CG 4.47Å; V19-M78 HydrophobicContact CG2-SD 4.21Å
20S96Very high95.7Very high52 Ų5269.6 Ų69.636%0.36439%0.393SS..EExtended strand (participates in β ladder)trans-127.8127.1173-62.90000110.2L73S20-L73 CarbonylContact C-O 3.56Å; S20-L73 WeakPolarHBondContact CA-O 3.23Å
21I96.6Very high96.1Very high14 Ų1464.9 Ų64.97%0.07238%0.378CS..EExtended strand (participates in β ladder)trans-114.2126177.7-52.7176.1000107.6M11 V19 W35 T72 L73 Y86M11-I21 HydrophobicContact SD-CG1 4.24Å; V19-I21 HydrophobicContact CG1-CG1 4.29Å; I21-W35 HydrophobicContact CB-CH2 4.44Å; I21-W35 HydrophobicContact CB-CZ3 4.37Å; I21-W35 HydrophobicContact CG2-CH2 4.13Å; I21-W35 HydrophobicContact CG2-CZ3 3.93Å; I21-W35 WeakPolarHBondContact O-CH2 3.3Å; I21-T72 CarbonylContact O-C 3.56Å; I21-T72 VanDerWaalsContact O-CA 3.29Å; I21-T72 WeakPolarHBondContact O-CA 3.31Å; I21-L73 HydrophobicContact CB-CB 4.47Å; I21-L73 PolarHBondContact N-O 3.24Å; I21-L73 PolarHBondContact O-N 3.12Å; I21-Y86 HydrophobicContact CD1-CD1 4.38Å; I21-Y86 HydrophobicContact CD1-CD2 3.79Å; I21-Y86 HydrophobicContact CD1-CG 3.69Å
22T97.7Very high96.5Very high58 Ų5861.6 Ų61.636%0.35636%0.364SS..EExtended strand (participates in β ladder)trans-103.8146.5179.167.60000111.8Q6 S7 F71 T72Q6-T22 WeakPolarHBondContact CA-O 3Å; S7-T22 WeakPolarHBondContact CB-OG1 3.19Å; S7-T22 PolarHBondContact N-O 2.72Å; S7-T22 PolarHBondContact OG-OG1 3.38Å; T22-F71 CarbonylContact C-O 3.54Å; T22-F71 WeakPolarHBondContact CA-O 3.22Å; T22-T72 HydrophobicContact CG2-CG2 4.44Å
23C97.9Very high96.8Very high2 Ų255.5 Ų55.51%0.01432%0.322CS..EExtended strand (participates in β ladder)trans-134.3131.3175.71760000109.6M4 T5 Q6 W35 F71 C88M4-C23 WeakPolarHBondContact CE-SG 3.48Å; T5-C23 CarbonylContact O-C 3.55Å; T5-C23 WeakPolarHBondContact O-CA 3.44Å; Q6-C23 HydrophobicContact CG-CB 4.04Å; C23-W35 HydrophobicContact CB-CH2 3.47Å; C23-W35 VanDerWaalsContact CB-CH2 3.47Å; C23-W35 HydrophobicContact CB-CZ2 3.71Å; C23-W35 HydrophobicContact CB-CZ3 4.36Å; C23-F71 HydrophobicContact CB-CB 4.41Å; C23-F71 PolarHBondContact N-O 2.9Å; C23-F71 PolarHBondContact O-N 2.77Å; C23-C88 HydrophobicContact CB-CB 3.52Å; C23-C88 WeakPolarHBondContact CB-SG 3.48Å; C23-C88 WeakPolarHBondContact SG-CB 3.2Å; C23-C88 CovalentContact SG-SG 2.02Å; C23-C88 PolarHBondContact SG-SG 3.31Å
24K98.2Very high97.2Very high109 Ų10953.5 Ų53.547%0.47431%0.309SS..EExtended strand (participates in β ladder)trans-118.3124-179.1-170.5178.6-169.786.50110.6T5 T69 D70T5-K24 PolarHBondContact N-O 3.05Å; T5-K24 PolarHBondContact O-N 3.32Å; K24-T69 CarbonylContact C-O 3.54Å; K24-T69 VanDerWaalsContact CA-O 3.24Å; K24-T69 WeakPolarHBondContact CA-O 3.37Å; K24-D70 IonicContact NZ-OD1 3.51Å; K24-D70 PolarHBondContact NZ-OD1 3.45Å; K24-D70 IonicContact NZ-OD2 2.73Å; K24-D70 PolarHBondContact NZ-OD2 2.81Å
25A97.7Very high97.3Very high3 Ų349.9 Ų49.93%0.02528%0.284CS..EExtended strand (participates in β ladder)trans-84.9143171.400000110.5I2 V3 M4 Q27 V29 T69 F71I2-A25 HydrophobicContact CG2-CB 4.28Å; V3-A25 CarbonylContact O-C 3.47Å; V3-A25 WeakPolarHBondContact O-CA 3.35Å; M4-A25 HydrophobicContact CE-CB 4.4Å; M4-A25 HydrophobicContact SD-CB 3.57Å; M4-A25 VanDerWaalsContact SD-CB 3.57Å; A25-Q27 VanDerWaalsContact CB-O 3.26Å; A25-Q27 WeakPolarHBondContact CB-O 3.5Å; A25-Q27 PolarHBondContact O-N 3.1Å; A25-V29 HydrophobicContact CB-CG1 4.1Å; A25-V29 HydrophobicContact CB-CG2 4.11Å; A25-T69 PolarHBondContact N-O 2.81Å; A25-F71 HydrophobicContact CB-CE2 4.32Å
26S97.5Very high97.5Very high70 Ų7048 Ų4849%0.4927%0.267SS..SBendtrans-71.4-14.4176.367.30000113.8V3V3-S26 PolarHBondContact N-OG 3.23Å; V3-S26 PolarHBondContact O-N 2.59Å
27Q96.8Very high97.5Very high105 Ų10547 Ų4749%0.49125%0.251SS..SBendtrans-142.6164.8-179.9-62.4-17655.300109.2I2 A25 V29I2-Q27 HydrophobicContact CD1-CB 4.47Å; I2-Q27 HydrophobicContact CG1-CB 4.38Å; A25-Q27 VanDerWaalsContact CB-O 3.26Å; A25-Q27 WeakPolarHBondContact CB-O 3.5Å; A25-Q27 PolarHBondContact O-N 3.1Å; Q27-V29 PolarHBondContact O-N 3Å
28N97.4Very high97.6Very high119 Ų11946.6 Ų46.664%0.63625%0.247SC*.  trans-68.5120.1176.1-174.4-28.2000110.3G30 G68N28-G30 PolarHBondContact OD1-N 3.48Å; N28-G68 WeakPolarHBondContact CA-O 3.17Å; N28-G68 WeakPolarHBondContact OD1-CA 3.39Å
29V97.5Very high97.5Very high6 Ų641.4 Ų41.44%0.03623%0.229CC..  trans-112.314.2177.5-58.50000112.6I2 A25 Q27 T31 A32 V33 G68 F71 Q90 S92I2-V29 HydrophobicContact CD1-CG1 3.65Å; I2-V29 HydrophobicContact CG2-CG1 3.81Å; A25-V29 HydrophobicContact CB-CG1 4.1Å; A25-V29 HydrophobicContact CB-CG2 4.11Å; Q27-V29 PolarHBondContact O-N 3Å; V29-T31 PolarHBondContact O-N 3.26Å; V29-A32 VanDerWaalsContact O-CB 3.31Å; V29-A32 WeakPolarHBondContact O-CB 3.21Å; V29-A32 PolarHBondContact O-N 2.89Å; V29-V33 HydrophobicContact CG2-CG2 3.57Å; V29-G68 WeakPolarHBondContact CG2-O 3.5Å; V29-G68 PolarHBondContact N-O 2.84Å; V29-F71 HydrophobicContact CG2-CE2 3.63Å; V29-F71 HydrophobicContact CG2-CZ 3.47Å; V29-F71 VanDerWaalsContact CG2-CZ 3.47Å; V29-Q90 HydrophobicContact CB-CB 4.37Å; V29-Q90 HydrophobicContact CG1-CB 3.99Å; V29-Q90 HydrophobicContact CG1-CG 4.43Å; V29-S92 WeakPolarHBondContact CB-OG 3.45Å; V29-S92 VanDerWaalsContact CG1-OG 3.28Å; V29-S92 WeakPolarHBondContact CG1-OG 3.38Å
30G97.7Very high97.6Very high32 Ų3246.8 Ų46.833%0.3326%0.264SS..THydrogen-bonded Turntrans58-119.5-175.400000111.1N28 S67 G68N28-G30 PolarHBondContact OD1-N 3.48Å; G30-S67 CarbonylContact O-C 3.56Å; G30-S67 WeakPolarHBondContact O-CA 3.32Å; G30-G68 PolarHBondContact O-N 2.74Å
31T98.3Very high97.6Very high75 Ų7548.7 Ų48.746%0.4629%0.292SS..THydrogen-bonded Turntrans-109.18.7172.655.20000112.3V29 V33 S50 A51V29-T31 PolarHBondContact O-N 3.26Å; T31-V33 PolarHBondContact O-N 2.76Å; T31-S50 CarbonylContact O-C 3.59Å; T31-S50 WeakPolarHBondContact O-CA 3.33Å; T31-A51 PolarHBondContact O-N 2.77Å
32A97.7Very high97.5Very high15 Ų1552 Ų5212%0.12431%0.307CS..  trans-77.355.3-173.300000112.7V29 Q90 Y91V29-A32 VanDerWaalsContact O-CB 3.31Å; V29-A32 WeakPolarHBondContact O-CB 3.21Å; V29-A32 PolarHBondContact O-N 2.89Å; A32-Q90 CarbonylContact O-C 3.58Å; A32-Q90 VanDerWaalsContact O-CA 3.29Å; A32-Q90 WeakPolarHBondContact O-CA 3.43Å; A32-Y91 VanDerWaalsContact CA-CZ 3.5Å; A32-Y91 HydrophobicContact CB-CD1 4.49Å; A32-Y91 HydrophobicContact CB-CD2 3.79Å; A32-Y91 HydrophobicContact CB-CE1 4.39Å; A32-Y91 HydrophobicContact CB-CE2 3.66Å; A32-Y91 HydrophobicContact CB-CG 4.21Å; A32-Y91 WeakPolarHBondContact O-CD1 3.24Å; A32-Y91 PolarHBondContact O-N 2.84Å
33V98.4Very high97.5Very high0 Ų053.4 Ų53.40%032%0.319CS..EExtended strand (participates in β ladder)trans-122.4134.5176.8176.30000110.1M4 V29 T31 S50 A51 F71 C88 Q89M4-V33 HydrophobicContact CE-CG1 4.22Å; M4-V33 HydrophobicContact CE-CG2 3.87Å; V29-V33 HydrophobicContact CG2-CG2 3.57Å; T31-V33 PolarHBondContact O-N 2.76Å; V33-S50 PolarHBondContact O-N 3.36Å; V33-A51 PolarHBondContact O-N 2.82Å; V33-F71 HydrophobicContact CB-CD1 3.95Å; V33-F71 HydrophobicContact CB-CE1 4.01Å; V33-F71 HydrophobicContact CB-CG 4.25Å; V33-F71 HydrophobicContact CB-CZ 4.37Å; V33-F71 HydrophobicContact CG1-CD1 4.32Å; V33-F71 HydrophobicContact CG1-CG 4.21Å; V33-F71 HydrophobicContact CG2-CD1 3.87Å; V33-F71 HydrophobicContact CG2-CD2 3.84Å; V33-F71 HydrophobicContact CG2-CE1 3.6Å; V33-F71 HydrophobicContact CG2-CE2 3.59Å; V33-F71 HydrophobicContact CG2-CG 3.99Å; V33-F71 HydrophobicContact CG2-CZ 3.47Å; V33-F71 VanDerWaalsContact CG2-CZ 3.47Å; V33-C88 HydrophobicContact CG1-CB 4.3Å; V33-Q89 CarbonylContact C-O 3.56Å; V33-Q89 VanDerWaalsContact CA-O 3.25Å; V33-Q89 WeakPolarHBondContact CA-O 3.26Å
34A98.6Very high97.5Very high2 Ų256.5 Ų56.52%0.01734%0.339CS..EExtended strand (participates in β ladder)trans-116150.6171.600000110.8Y36 L46 I48 C88 Q89 Y91A34-Y36 HydrophobicContact CB-CE2 3.68Å; A34-L46 HydrophobicContact CB-CD1 3.92Å; A34-I48 CarbonylContact C-O 3.6Å; A34-I48 WeakPolarHBondContact CA-O 3.2Å; A34-I48 WeakPolarHBondContact CB-O 3.35Å; A34-C88 CarbonylContact O-C 2.98Å; A34-C88 WeakPolarHBondContact O-CA 3.46Å; A34-Q89 PolarHBondContact N-O 2.85Å; A34-Q89 PolarHBondContact O-N 2.97Å; A34-Y91 HydrophobicContact CB-CD1 4.4Å; A34-Y91 HydrophobicContact CB-CE1 4.15Å
35W98.6Very high97.5Very high0 Ų056.5 Ų56.50%034%0.339CS..EExtended strand (participates in β ladder)trans-116.4137.2174.3-69.393.3000110.4I21 C23 L47 I48 F71 L73 F87 C88I21-W35 HydrophobicContact CB-CH2 4.44Å; I21-W35 HydrophobicContact CB-CZ3 4.37Å; I21-W35 HydrophobicContact CG2-CH2 4.13Å; I21-W35 HydrophobicContact CG2-CZ3 3.93Å; I21-W35 WeakPolarHBondContact O-CH2 3.3Å; C23-W35 HydrophobicContact CB-CH2 3.47Å; C23-W35 VanDerWaalsContact CB-CH2 3.47Å; C23-W35 HydrophobicContact CB-CZ2 3.71Å; C23-W35 HydrophobicContact CB-CZ3 4.36Å; W35-L47 PolarHBondContact O-N 3.13Å; W35-I48 HydrophobicContact CB-CB 4.07Å; W35-I48 HydrophobicContact CB-CG1 4.4Å; W35-I48 HydrophobicContact CG-CB 4.39Å; W35-I48 PolarHBondContact N-O 3.38Å; W35-I48 PolarHBondContact O-N 2.88Å; W35-F71 HydrophobicContact CZ2-CB 4.24Å; W35-L73 HydrophobicContact CB-CD1 4.22Å; W35-L73 HydrophobicContact CB-CD2 4.31Å; W35-L73 HydrophobicContact CD2-CB 3.6Å; W35-L73 HydrophobicContact CD2-CD1 4.47Å; W35-L73 HydrophobicContact CD2-CD2 4.16Å; W35-L73 HydrophobicContact CD2-CG 4.29Å; W35-L73 HydrophobicContact CE3-CB 3.74Å; W35-L73 HydrophobicContact CE3-CD2 3.88Å; W35-L73 HydrophobicContact CE3-CG 4.39Å; W35-L73 HydrophobicContact CG-CB 4.13Å; W35-L73 HydrophobicContact CG-CD1 4.13Å; W35-L73 HydrophobicContact CG-CD2 4.37Å; W35-L73 HydrophobicContact CG-CG 4.45Å; W35-L73 HydrophobicContact CH2-CB 3.98Å; W35-L73 HydrophobicContact CZ2-CB 3.88Å; W35-L73 HydrophobicContact CZ3-CB 3.92Å; W35-L73 HydrophobicContact CZ3-CD2 4.49Å; W35-F87 CarbonylContact C-O 3.5Å; W35-F87 WeakPolarHBondContact CA-O 3.31Å; W35-C88 HydrophobicContact CD2-CB 4.15Å; W35-C88 HydrophobicContact CE3-CB 3.93Å; W35-C88 HydrophobicContact CH2-CB 4.03Å; W35-C88 HydrophobicContact CZ2-CB 4.2Å; W35-C88 HydrophobicContact CZ3-CB 3.88Å
36Y98.4Very high97.5Very high58 Ų5858.6 Ų58.623%0.22735%0.35CS..EExtended strand (participates in β ladder)trans-125.2147.7-179.6-59-95.3000111.4A34 P44 K45 L46 Y86 F87 Q89A34-Y36 HydrophobicContact CB-CE2 3.68Å; Y36-P44 HydrophobicContact CD1-CB 4.24Å; Y36-P44 HydrophobicContact CG-CB 4.4Å; Y36-K45 CarbonylContact C-O 3.55Å; Y36-K45 WeakPolarHBondContact CA-O 3.2Å; Y36-L46 HydrophobicContact CD1-CB 4.25Å; Y36-L46 HydrophobicContact CD1-CD1 4.28Å; Y36-L46 HydrophobicContact CE1-CB 4.07Å; Y36-L46 HydrophobicContact CE1-CD1 3.79Å; Y36-Y86 WeakPolarHBondContact O-CA 3.29Å; Y36-F87 PolarHBondContact N-O 2.91Å; Y36-F87 PolarHBondContact O-N 2.8Å; Y36-Q89 HydrophobicContact CD2-CB 4.41Å; Y36-Q89 HydrophobicContact CE2-CB 3.79Å; Y36-Q89 PolarHBondContact OH-OE1 3.16Å
37Q98.1Very high97.6Very high22 Ų2255.6 Ų55.610%0.10333%0.328CS..EExtended strand (participates in β ladder)trans-107.2132.4168.5-172.1-175.467.700109.4P44 K45 L47 A84 Y86Q37-P44 WeakPolarHBondContact O-CA 3.34Å; Q37-K45 PolarHBondContact N-O 3.07Å; Q37-K45 PolarHBondContact O-N 2.87Å; Q37-L47 HydrophobicContact CB-CD1 3.8Å; Q37-L47 HydrophobicContact CB-CD2 4.1Å; Q37-L47 HydrophobicContact CB-CG 3.94Å; Q37-A84 HydrophobicContact CG-CB 3.32Å; Q37-Y86 HydrophobicContact CB-CD1 4.48Å; Q37-Y86 HydrophobicContact CB-CE1 4.17Å; Q37-Y86 HydrophobicContact CG-CE1 4Å; Q37-Y86 PolarHBondContact NE2-OH 3.34Å
38Q97.8Very high97.7Very high59 Ų5950.6 Ų50.628%0.27631%0.305SS..EExtended strand (participates in β ladder)trans-126119.4173.3-169174.815.100110.7Q42 P44 A84 D85 F87Q38-Q42 WeakPolarHBondContact CG-O 3.43Å; Q38-Q42 PolarHBondContact NE2-O 3.01Å; Q38-P44 HydrophobicContact CB-CG 4.49Å; Q38-P44 HydrophobicContact CG-CG 4.35Å; Q38-A84 WeakPolarHBondContact O-CB 3.33Å; Q38-D85 PolarHBondContact N-O 3.01Å; Q38-D85 PolarHBondContact O-N 3.09Å; Q38-F87 HydrophobicContact CB-CD2 4.35Å; Q38-F87 HydrophobicContact CB-CE2 3.87Å; Q38-F87 VanDerWaalsContact OE1-CE2 3.32Å
39K96.4Very high97.7Very high59 Ų5949.6 Ų49.626%0.25729%0.293SS..  trans-90.5154.4171-68.5-175.6177.9-173.70110.2G41 Q42 E81 A84K39-G41 PolarHBondContact O-N 3Å; K39-Q42 HydrophobicContact CB-CB 4.35Å; K39-Q42 HydrophobicContact CB-CG 4.28Å; K39-Q42 PolarHBondContact O-N 3.07Å; K39-E81 WeakPolarHBondContact CE-O 3.49Å; K39-E81 PolarHBondContact NZ-O 2.82Å; K39-A84 HydrophobicContact CG-CB 4.13Å
40P95.5Very high97.8Very high122 Ų12251 Ų5179%0.79230%0.303SS*.THydrogen-bonded Turntrans-50.3126.9176.1-28.135.3000112Q42P40-Q42 VanDerWaalsContact C-N 3.26Å; P40-Q42 PolarHBondContact O-N 3.31Å
41G96Very high97.8Very high93 Ų9349.5 Ų49.596%0.95929%0.288SS*.THydrogen-bonded Turntrans73.45.618000000116K39K39-G41 PolarHBondContact O-N 3Å
42Q96.4Very high97.8Very high84 Ų8449.3 Ų49.339%0.39329%0.29SS..SBendtrans-110.3156.1176.9-60.5-168.26.300111.8Q38 K39 P40Q38-Q42 WeakPolarHBondContact CG-O 3.43Å; Q38-Q42 PolarHBondContact NE2-O 3.01Å; K39-Q42 HydrophobicContact CB-CB 4.35Å; K39-Q42 HydrophobicContact CB-CG 4.28Å; K39-Q42 PolarHBondContact O-N 3.07Å; P40-Q42 VanDerWaalsContact C-N 3.26Å; P40-Q42 PolarHBondContact O-N 3.31Å
43S96.8Very high97.9Very high86 Ų8651.9 Ų51.960%0.60130%0.301SS*.  trans-69.5150.2167.958.20000110.8K45S43-K45 PolarHBondContact O-N 2.97Å
44P97.8Very high97.9Very high67 Ų6755.7 Ų55.744%0.43532%0.316SS..  trans-55.1136171.9-24.634.1000112Y36 Q37 Q38Y36-P44 HydrophobicContact CD1-CB 4.24Å; Y36-P44 HydrophobicContact CG-CB 4.4Å; Q37-P44 WeakPolarHBondContact O-CA 3.34Å; Q38-P44 HydrophobicContact CB-CG 4.49Å; Q38-P44 HydrophobicContact CG-CG 4.35Å
45K98.2Very high97.9Very high109 Ų10961.5 Ų61.547%0.47434%0.338SS..EExtended strand (participates in β ladder)trans-112.5133.6176.3-70.8177.6177.3166.60109.8Y36 Q37 S43 L47Y36-K45 CarbonylContact C-O 3.55Å; Y36-K45 WeakPolarHBondContact CA-O 3.2Å; Q37-K45 PolarHBondContact N-O 3.07Å; Q37-K45 PolarHBondContact O-N 2.87Å; S43-K45 PolarHBondContact O-N 2.97Å; K45-L47 PolarHBondContact O-N 2.78Å
46L98.6Very high97.8Very high47 Ų4767.7 Ų67.725%0.24638%0.376CS..EExtended strand (participates in β ladder)trans-67.6129.4179-177.863.1000110.7A34 Y36 I48 Y55A34-L46 HydrophobicContact CB-CD1 3.92Å; Y36-L46 HydrophobicContact CD1-CB 4.25Å; Y36-L46 HydrophobicContact CD1-CD1 4.28Å; Y36-L46 HydrophobicContact CE1-CB 4.07Å; Y36-L46 HydrophobicContact CE1-CD1 3.79Å; L46-I48 WeakPolarHBondContact CD1-O 3.44Å; L46-Y55 HydrophobicContact CB-CG 4.41Å; L46-Y55 HydrophobicContact CD2-CD2 3.54Å; L46-Y55 HydrophobicContact CD2-CE2 4Å; L46-Y55 HydrophobicContact CD2-CG 3.92Å; L46-Y55 HydrophobicContact CG-CD2 4.26Å; L46-Y55 HydrophobicContact CG-CG 4.13Å
47L98.7Very high97.8Very high8 Ų868.7 Ų68.74%0.04240%0.404CS..EExtended strand (participates in β ladder)trans-105.8-56.3174.3-66.4-177.6000111.9W35 Q37 K45 Y55 V58 F62 L73 Y86W35-L47 PolarHBondContact O-N 3.13Å; Q37-L47 HydrophobicContact CB-CD1 3.8Å; Q37-L47 HydrophobicContact CB-CD2 4.1Å; Q37-L47 HydrophobicContact CB-CG 3.94Å; K45-L47 PolarHBondContact O-N 2.78Å; L47-Y55 WeakPolarHBondContact O-CB 3.48Å; L47-Y55 PolarHBondContact O-N 2.86Å; L47-V58 HydrophobicContact CB-CG1 4.48Å; L47-V58 HydrophobicContact CD2-CG1 3.89Å; L47-V58 HydrophobicContact CD2-CG2 4.06Å; L47-F62 HydrophobicContact CD1-CD1 3.78Å; L47-F62 HydrophobicContact CD1-CE1 3.87Å; L47-L73 HydrophobicContact CD1-CD2 4.24Å; L47-Y86 HydrophobicContact CD1-CD1 3.94Å; L47-Y86 HydrophobicContact CD1-CE1 3.65Å
48I98.8Very high97.8Very high0 Ų068.6 Ų68.60%041%0.405CS..EExtended strand (participates in β ladder)trans-128.6140.6-176.5-53.6-63000108.4A34 W35 L46 A51 N53 R54 F62 L73A34-I48 CarbonylContact C-O 3.6Å; A34-I48 WeakPolarHBondContact CA-O 3.2Å; A34-I48 WeakPolarHBondContact CB-O 3.35Å; W35-I48 HydrophobicContact CB-CB 4.07Å; W35-I48 HydrophobicContact CB-CG1 4.4Å; W35-I48 HydrophobicContact CG-CB 4.39Å; W35-I48 PolarHBondContact N-O 3.38Å; W35-I48 PolarHBondContact O-N 2.88Å; L46-I48 WeakPolarHBondContact CD1-O 3.44Å; I48-A51 WeakPolarHBondContact CG2-O 3.33Å; I48-N53 CarbonylContact C-O 3.58Å; I48-N53 VanDerWaalsContact CA-O 3.26Å; I48-N53 WeakPolarHBondContact CA-O 3.22Å; I48-N53 WeakPolarHBondContact CG2-O 3.26Å; I48-R54 HydrophobicContact CD1-CB 4.11Å; I48-R54 HydrophobicContact CD1-CG 4.02Å; I48-F62 WeakPolarHBondContact CD1-O 3.03Å; I48-L73 HydrophobicContact CG1-CD1 3.74Å
49Y98.5Very high97.8Very high97 Ų9768.2 Ų68.238%0.3841%0.407SS..EExtended strand (participates in β ladder)trans-126.3166.5168.368.1-82.6000109.9A51 S52 N53Y49-A51 PolarHBondContact O-N 3.34Å; Y49-A51 VanDerWaalsContact O-N 3.13Å; Y49-S52 PolarHBondContact O-N 2.88Å; Y49-N53 HydrophobicContact CD1-CB 3.93Å; Y49-N53 VanDerWaalsContact CD1-O 3.22Å; Y49-N53 WeakPolarHBondContact CD1-O 3.35Å; Y49-N53 HydrophobicContact CD2-CB 3.94Å; Y49-N53 HydrophobicContact CE1-CB 3.58Å; Y49-N53 HydrophobicContact CE2-CB 3.6Å; Y49-N53 WeakPolarHBondContact CE2-ND2 3.39Å; Y49-N53 HydrophobicContact CG-CB 4.1Å; Y49-N53 VanDerWaalsContact CZ-CB 3.41Å; Y49-N53 PolarHBondContact N-O 2.82Å; Y49-N53 WeakPolarHBondContact O-CA 3.29Å; Y49-N53 VanDerWaalsContact O-CB 3.31Å; Y49-N53 WeakPolarHBondContact O-CB 3.16Å; Y49-N53 PolarHBondContact O-N 3.12Å
50S98.2Very high97.9Very high36 Ų3671.7 Ų71.725%0.25243%0.429SS..THydrogen-bonded Turntrans48.341.1-177.4-62.70000113.3T31 V33 S52 Y91T31-S50 CarbonylContact O-C 3.59Å; T31-S50 WeakPolarHBondContact O-CA 3.33Å; V33-S50 PolarHBondContact O-N 3.36Å; S50-S52 PolarHBondContact O-N 2.87Å; S50-Y91 VanDerWaalsContact CA-OH 3.23Å; S50-Y91 WeakPolarHBondContact CA-OH 3.5Å; S50-Y91 PolarHBondContact N-OH 2.82Å; S50-Y91 PolarHBondContact OG-OH 3.36Å; S50-Y91 VanDerWaalsContact OG-OH 3.12Å
51A98.4Very high98Very high1 Ų168 Ų681%0.00840%0.399CS..THydrogen-bonded Turntrans63-31.8-177.500000117.1T31 V33 I48 Y49 G64 S65 G66 F71T31-A51 PolarHBondContact O-N 2.77Å; V33-A51 PolarHBondContact O-N 2.82Å; I48-A51 WeakPolarHBondContact CG2-O 3.33Å; Y49-A51 PolarHBondContact O-N 3.34Å; Y49-A51 VanDerWaalsContact O-N 3.13Å; A51-G64 CarbonylContact O-C 3.55Å; A51-G64 VanDerWaalsContact O-CA 3.26Å; A51-G64 WeakPolarHBondContact O-CA 3.3Å; A51-S65 PolarHBondContact O-N 2.89Å; A51-G66 WeakPolarHBondContact CB-O 3.49Å; A51-F71 HydrophobicContact CB-CD1 3.86Å; A51-F71 HydrophobicContact CB-CE1 3.91Å
52S98.6Very high98.2Very high71 Ų7163.7 Ų63.750%0.49735%0.354SS..THydrogen-bonded Turntrans-135.7-10-173.859.50000115.4Y49 S50 R54 G64Y49-S52 PolarHBondContact O-N 2.88Å; S50-S52 PolarHBondContact O-N 2.87Å; S52-R54 PolarHBondContact O-N 2.6Å; S52-G64 WeakPolarHBondContact CA-O 3.33Å; S52-G64 WeakPolarHBondContact CB-O 3.36Å
53N98.7Very high98.3Very high69 Ų6962.5 Ų62.537%0.36935%0.352SS..EExtended strand (participates in β ladder)trans-82.9119.1-177-64.7-19.2000110.6I48 Y49I48-N53 CarbonylContact C-O 3.58Å; I48-N53 VanDerWaalsContact CA-O 3.26Å; I48-N53 WeakPolarHBondContact CA-O 3.22Å; I48-N53 WeakPolarHBondContact CG2-O 3.26Å; Y49-N53 HydrophobicContact CD1-CB 3.93Å; Y49-N53 VanDerWaalsContact CD1-O 3.22Å; Y49-N53 WeakPolarHBondContact CD1-O 3.35Å; Y49-N53 HydrophobicContact CD2-CB 3.94Å; Y49-N53 HydrophobicContact CE1-CB 3.58Å; Y49-N53 HydrophobicContact CE2-CB 3.6Å; Y49-N53 WeakPolarHBondContact CE2-ND2 3.39Å; Y49-N53 HydrophobicContact CG-CB 4.1Å; Y49-N53 VanDerWaalsContact CZ-CB 3.41Å; Y49-N53 PolarHBondContact N-O 2.82Å; Y49-N53 WeakPolarHBondContact O-CA 3.29Å; Y49-N53 VanDerWaalsContact O-CB 3.31Å; Y49-N53 WeakPolarHBondContact O-CB 3.16Å; Y49-N53 PolarHBondContact O-N 3.12Å
54R98.5Very high98.3Very high80 Ų8058.9 Ų58.930%0.30233%0.329SS..EExtended strand (participates in β ladder)trans-75130.1178.7-158.6-168.6-39.5-109.19110.7I48 S52 V58 P59 D60 F62I48-R54 HydrophobicContact CD1-CB 4.11Å; I48-R54 HydrophobicContact CD1-CG 4.02Å; S52-R54 PolarHBondContact O-N 2.6Å; R54-V58 WeakPolarHBondContact CD-O 3.39Å; R54-V58 HydrophobicContact CG-CB 3.85Å; R54-V58 HydrophobicContact CG-CG1 3.83Å; R54-P59 PolarHBondContact NH1-O 2.94Å; R54-P59 VanDerWaalsContact NH1-O 3.09Å; R54-D60 VanDerWaalsContact CZ-CA 3.48Å; R54-D60 IonicContact CZ-OD1 3.42Å; R54-D60 IonicContact NE-OD1 2.77Å; R54-D60 PolarHBondContact NH1-O 2.7Å; R54-D60 PolarHBondContact NH2-O 2.89Å; R54-D60 IonicContact NH2-OD1 3.6Å; R54-F62 VanDerWaalsContact NH1-C 3.25Å; R54-F62 PolarHBondContact NH1-O 3.41Å
55Y98.5Very high98.4Very high123 Ų12358.5 Ų58.548%0.48233%0.328SS..PPolyproline II helixtrans-69.5148.9176-170.4-108.6000111L46 L47 G57 V58L46-Y55 HydrophobicContact CB-CG 4.41Å; L46-Y55 HydrophobicContact CD2-CD2 3.54Å; L46-Y55 HydrophobicContact CD2-CE2 4Å; L46-Y55 HydrophobicContact CD2-CG 3.92Å; L46-Y55 HydrophobicContact CG-CD2 4.26Å; L46-Y55 HydrophobicContact CG-CG 4.13Å; L47-Y55 WeakPolarHBondContact O-CB 3.48Å; L47-Y55 PolarHBondContact O-N 2.86Å; Y55-G57 PolarHBondContact O-N 3.43Å; Y55-V58 VanDerWaalsContact O-CB 3.32Å; Y55-V58 WeakPolarHBondContact O-CB 3.5Å; Y55-V58 WeakPolarHBondContact O-CG2 3.37Å; Y55-V58 PolarHBondContact O-N 3.43Å; Y55-V58 VanDerWaalsContact O-N 3.16Å
56T97.9Very high98.4Very high131 Ų13155 Ų5580%0.80432%0.323SS*.THydrogen-bonded Turntrans-59.7132.6-177.1-530000111.2V58T56-V58 VanDerWaalsContact C-N 3.33Å
57G97.6Very high98.3Very high79 Ų7956.7 Ų56.781%0.81434%0.338SS*.THydrogen-bonded Turntrans85.6-4.2-17900000115.1Y55Y55-G57 PolarHBondContact O-N 3.43Å
58V98.3Very high98.3Very high19 Ų1956.9 Ų56.912%0.11534%0.343CS..  trans-79.4131.5174.2174.20000109.8L47 R54 Y55 T56 F62L47-V58 HydrophobicContact CB-CG1 4.48Å; L47-V58 HydrophobicContact CD2-CG1 3.89Å; L47-V58 HydrophobicContact CD2-CG2 4.06Å; R54-V58 WeakPolarHBondContact CD-O 3.39Å; R54-V58 HydrophobicContact CG-CB 3.85Å; R54-V58 HydrophobicContact CG-CG1 3.83Å; Y55-V58 VanDerWaalsContact O-CB 3.32Å; Y55-V58 WeakPolarHBondContact O-CB 3.5Å; Y55-V58 WeakPolarHBondContact O-CG2 3.37Å; Y55-V58 PolarHBondContact O-N 3.43Å; Y55-V58 VanDerWaalsContact O-N 3.16Å; T56-V58 VanDerWaalsContact C-N 3.33Å; V58-F62 HydrophobicContact CG1-CB 3.79Å; V58-F62 HydrophobicContact CG1-CD2 3.97Å; V58-F62 HydrophobicContact CG1-CG 4.05Å
59P98.3Very high98.3Very high51 Ų5159.1 Ų59.133%0.33136%0.356SS..  trans-59.2149.6-177.5-27.836.1000114.9R54 R61 F62R54-P59 PolarHBondContact NH1-O 2.94Å; R54-P59 VanDerWaalsContact NH1-O 3.09Å; P59-R61 HydrophobicContact CB-CG 3.97Å; P59-R61 PolarHBondContact O-N 3.45Å; P59-F62 HydrophobicContact CB-CD2 4.12Å; P59-F62 HydrophobicContact CB-CE2 4.38Å; P59-F62 HydrophobicContact CG-CD2 4.37Å; P59-F62 HydrophobicContact CG-CE2 4.3Å; P59-F62 PolarHBondContact O-N 3.29Å
60D97.9Very high98.3Very high133 Ų13358.3 Ų58.371%0.71136%0.358SS*.THydrogen-bonded Turntrans-63.6-14.4-175.6-77.6-33.1000115.3R54 F62R54-D60 VanDerWaalsContact CZ-CA 3.48Å; R54-D60 IonicContact CZ-OD1 3.42Å; R54-D60 IonicContact NE-OD1 2.77Å; R54-D60 PolarHBondContact NH1-O 2.7Å; R54-D60 PolarHBondContact NH2-O 2.89Å; R54-D60 IonicContact NH2-OD1 3.6Å; D60-F62 VanDerWaalsContact C-N 3.3Å; D60-F62 PolarHBondContact O-N 2.85Å
61R98Very high98.3Very high44 Ų4456.7 Ų56.717%0.16635%0.347CS..THydrogen-bonded Turntrans-69.9-20.3173.860.6178.4179.9-94.34.6114.5P59 I75 S76 N77 E81 D82P59-R61 HydrophobicContact CB-CG 3.97Å; P59-R61 PolarHBondContact O-N 3.45Å; R61-I75 HydrophobicContact CG-CG2 4.4Å; R61-I75 WeakPolarHBondContact O-CA 3.46Å; R61-S76 WeakPolarHBondContact CA-OG 3.49Å; R61-S76 WeakPolarHBondContact CB-OG 3.31Å; R61-S76 PolarHBondContact O-N 2.86Å; R61-S76 PolarHBondContact O-OG 3.47Å; R61-N77 WeakPolarHBondContact CD-O 3.43Å; R61-E81 IonicContact CZ-OE1 3.26Å; R61-E81 IonicContact NH1-OE1 2.74Å; R61-E81 IonicContact NH2-OE1 3.42Å; R61-E81 PolarHBondContact NH2-OE1 2.65Å; R61-D82 WeakPolarHBondContact CD-OD2 3.28Å; R61-D82 IonicContact CZ-OD1 3.5Å; R61-D82 IonicContact CZ-OD2 3.54Å; R61-D82 IonicContact NE-OD1 2.76Å; R61-D82 PolarHBondContact NE-OD1 2.86Å; R61-D82 IonicContact NE-OD2 3.56Å; R61-D82 PolarHBondContact NE-OD2 2.93Å; R61-D82 IonicContact NH2-OD1 3.5Å; R61-D82 PolarHBondContact NH2-OD1 2.77Å; R61-D82 IonicContact NH2-OD2 3.64Å
62F98.6Very high98.3Very high3 Ų358.3 Ų58.31%0.01336%0.357CS..EExtended strand (participates in β ladder)trans-91.7104-178.6-72.6-86.5000112.6L47 I48 R54 V58 P59 D60 T74 I75 D82 Y86L47-F62 HydrophobicContact CD1-CD1 3.78Å; L47-F62 HydrophobicContact CD1-CE1 3.87Å; I48-F62 WeakPolarHBondContact CD1-O 3.03Å; R54-F62 VanDerWaalsContact NH1-C 3.25Å; R54-F62 PolarHBondContact NH1-O 3.41Å; V58-F62 HydrophobicContact CG1-CB 3.79Å; V58-F62 HydrophobicContact CG1-CD2 3.97Å; V58-F62 HydrophobicContact CG1-CG 4.05Å; P59-F62 HydrophobicContact CB-CD2 4.12Å; P59-F62 HydrophobicContact CB-CE2 4.38Å; P59-F62 HydrophobicContact CG-CD2 4.37Å; P59-F62 HydrophobicContact CG-CE2 4.3Å; P59-F62 PolarHBondContact O-N 3.29Å; D60-F62 VanDerWaalsContact C-N 3.3Å; D60-F62 PolarHBondContact O-N 2.85Å; F62-T74 CarbonylContact C-O 3.13Å; F62-T74 WeakPolarHBondContact CA-O 3.5Å; F62-I75 HydrophobicContact CD1-CD1 4.24Å; F62-I75 HydrophobicContact CD1-CG1 3.8Å; F62-I75 HydrophobicContact CE1-CD1 3.58Å; F62-I75 HydrophobicContact CE1-CG1 3.64Å; F62-I75 HydrophobicContact CE1-CG2 4.33Å; F62-I75 HydrophobicContact CZ-CD1 4.3Å; F62-I75 HydrophobicContact CZ-CG1 4.5Å; F62-I75 HydrophobicContact CZ-CG2 4.44Å; F62-D82 WeakPolarHBondContact CE2-OD1 3.43Å; F62-D82 HydrophobicContact CZ-CB 4.16Å; F62-D82 WeakPolarHBondContact CZ-OD1 3.35Å; F62-Y86 AromaticContact CE1-CE1 3.87Å; F62-Y86 HydrophobicContact CE1-CE1 3.87Å
63T98.6Very high98.3Very high58 Ų5855 Ų5536%0.35633%0.333SS..EExtended strand (participates in β ladder)trans-116.5140.5178.456.30000111.7T74T63-T74 PolarHBondContact N-O 2.87Å; T63-T74 PolarHBondContact O-N 3.41Å; T63-T74 WeakPolarHBondContact OG1-CB 3.09Å
64G98.5Very high98.2Very high11 Ų1152 Ų5211%0.11332%0.318CS..EExtended strand (participates in β ladder)trans-107.1148.4171.500000111.4A51 S52 T72A51-G64 CarbonylContact O-C 3.55Å; A51-G64 VanDerWaalsContact O-CA 3.26Å; A51-G64 WeakPolarHBondContact O-CA 3.3Å; S52-G64 WeakPolarHBondContact CA-O 3.33Å; S52-G64 WeakPolarHBondContact CB-O 3.36Å; G64-T72 CarbonylContact C-O 3.58Å; G64-T72 WeakPolarHBondContact CA-O 3.33Å
65S98.3Very high98.2Very high59 Ų5948.2 Ų48.241%0.41330%0.304SS..EExtended strand (participates in β ladder)trans-147.5164.3173.366.20000111.3A51 F71 T72A51-S65 PolarHBondContact O-N 2.89Å; S65-F71 CarbonylContact O-C 3.48Å; S65-F71 WeakPolarHBondContact O-CA 3.37Å; S65-T72 PolarHBondContact N-O 2.99Å; S65-T72 PolarHBondContact O-N 2.81Å
66G98Very high98.2Very high35 Ų3545 Ų4536%0.36130%0.299SS..EExtended strand (participates in β ladder)trans117.7166175.600000113.7A51 D70A51-G66 WeakPolarHBondContact CB-O 3.49Å; G66-D70 WeakPolarHBondContact CA-O 3.25Å
67S98Very high98.1Very high82 Ų8242.3 Ų42.357%0.57328%0.28SS*.EExtended strand (participates in β ladder)trans-161.8161.2176.264.70000109.7G30 T69 D70G30-S67 CarbonylContact O-C 3.56Å; G30-S67 WeakPolarHBondContact O-CA 3.32Å; S67-T69 PolarHBondContact O-N 2.84Å; S67-D70 PolarHBondContact N-O 2.81Å
68G98.1Very high98.1Very high13 Ų1339.1 Ų39.113%0.13424%0.244CC..THydrogen-bonded Turntrans72.8-94.2179.600000111.1N28 V29 G30N28-G68 WeakPolarHBondContact CA-O 3.17Å; N28-G68 WeakPolarHBondContact OD1-CA 3.39Å; V29-G68 WeakPolarHBondContact CG2-O 3.5Å; V29-G68 PolarHBondContact N-O 2.84Å; G30-G68 PolarHBondContact O-N 2.74Å
69T98.1Very high98.1Very high47 Ų4740.6 Ų40.629%0.28825%0.249SC..THydrogen-bonded Turntrans-118.7-22.3-173.948.70000114.3K24 A25 S67K24-T69 CarbonylContact C-O 3.54Å; K24-T69 VanDerWaalsContact CA-O 3.24Å; K24-T69 WeakPolarHBondContact CA-O 3.37Å; A25-T69 PolarHBondContact N-O 2.81Å; S67-T69 PolarHBondContact O-N 2.84Å
70D98.4Very high97.9Very high79 Ų7942.1 Ų42.142%0.42226%0.261SS..EExtended strand (participates in β ladder)trans-120.8123.5-169.3-61.7-85.7000110K24 G66 S67K24-D70 IonicContact NZ-OD1 3.51Å; K24-D70 PolarHBondContact NZ-OD1 3.45Å; K24-D70 IonicContact NZ-OD2 2.73Å; K24-D70 PolarHBondContact NZ-OD2 2.81Å; G66-D70 WeakPolarHBondContact CA-O 3.25Å; S67-D70 PolarHBondContact N-O 2.81Å
71F98.6Very high97.8Very high2 Ų239.8 Ų39.81%0.00925%0.246CC..EExtended strand (participates in β ladder)trans-130.5147.9-173-56.6-86.7000110.3T22 C23 A25 V29 V33 W35 A51 S65T22-F71 CarbonylContact C-O 3.54Å; T22-F71 WeakPolarHBondContact CA-O 3.22Å; C23-F71 HydrophobicContact CB-CB 4.41Å; C23-F71 PolarHBondContact N-O 2.9Å; C23-F71 PolarHBondContact O-N 2.77Å; A25-F71 HydrophobicContact CB-CE2 4.32Å; V29-F71 HydrophobicContact CG2-CE2 3.63Å; V29-F71 HydrophobicContact CG2-CZ 3.47Å; V29-F71 VanDerWaalsContact CG2-CZ 3.47Å; V33-F71 HydrophobicContact CB-CD1 3.95Å; V33-F71 HydrophobicContact CB-CE1 4.01Å; V33-F71 HydrophobicContact CB-CG 4.25Å; V33-F71 HydrophobicContact CB-CZ 4.37Å; V33-F71 HydrophobicContact CG1-CD1 4.32Å; V33-F71 HydrophobicContact CG1-CG 4.21Å; V33-F71 HydrophobicContact CG2-CD1 3.87Å; V33-F71 HydrophobicContact CG2-CD2 3.84Å; V33-F71 HydrophobicContact CG2-CE1 3.6Å; V33-F71 HydrophobicContact CG2-CE2 3.59Å; V33-F71 HydrophobicContact CG2-CG 3.99Å; V33-F71 HydrophobicContact CG2-CZ 3.47Å; V33-F71 VanDerWaalsContact CG2-CZ 3.47Å; W35-F71 HydrophobicContact CZ2-CB 4.24Å; A51-F71 HydrophobicContact CB-CD1 3.86Å; A51-F71 HydrophobicContact CB-CE1 3.91Å; S65-F71 CarbonylContact O-C 3.48Å; S65-F71 WeakPolarHBondContact O-CA 3.37Å
72T98.3Very high97.7Very high35 Ų3537.8 Ų37.822%0.21524%0.239CC..EExtended strand (participates in β ladder)trans-135.8134177.7-56.80000110.4I21 T22 G64 S65I21-T72 CarbonylContact O-C 3.56Å; I21-T72 VanDerWaalsContact O-CA 3.29Å; I21-T72 WeakPolarHBondContact O-CA 3.31Å; T22-T72 HydrophobicContact CG2-CG2 4.44Å; G64-T72 CarbonylContact C-O 3.58Å; G64-T72 WeakPolarHBondContact CA-O 3.33Å; S65-T72 PolarHBondContact N-O 2.99Å; S65-T72 PolarHBondContact O-N 2.81Å
73L98.3Very high97.5Very high1 Ų143.1 Ų43.11%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-100.4129.4162-179.169000108.2S20 I21 W35 L47 I48 Y86S20-L73 CarbonylContact C-O 3.56Å; S20-L73 WeakPolarHBondContact CA-O 3.23Å; I21-L73 HydrophobicContact CB-CB 4.47Å; I21-L73 PolarHBondContact N-O 3.24Å; I21-L73 PolarHBondContact O-N 3.12Å; W35-L73 HydrophobicContact CB-CD1 4.22Å; W35-L73 HydrophobicContact CB-CD2 4.31Å; W35-L73 HydrophobicContact CD2-CB 3.6Å; W35-L73 HydrophobicContact CD2-CD1 4.47Å; W35-L73 HydrophobicContact CD2-CD2 4.16Å; W35-L73 HydrophobicContact CD2-CG 4.29Å; W35-L73 HydrophobicContact CE3-CB 3.74Å; W35-L73 HydrophobicContact CE3-CD2 3.88Å; W35-L73 HydrophobicContact CE3-CG 4.39Å; W35-L73 HydrophobicContact CG-CB 4.13Å; W35-L73 HydrophobicContact CG-CD1 4.13Å; W35-L73 HydrophobicContact CG-CD2 4.37Å; W35-L73 HydrophobicContact CG-CG 4.45Å; W35-L73 HydrophobicContact CH2-CB 3.98Å; W35-L73 HydrophobicContact CZ2-CB 3.88Å; W35-L73 HydrophobicContact CZ3-CB 3.92Å; W35-L73 HydrophobicContact CZ3-CD2 4.49Å; L47-L73 HydrophobicContact CD1-CD2 4.24Å; I48-L73 HydrophobicContact CG1-CD1 3.74Å; L73-Y86 HydrophobicContact CD2-CD1 3.54Å; L73-Y86 HydrophobicContact CD2-CE1 4.07Å; L73-Y86 HydrophobicContact CD2-CG 4.33Å
74T97.8Very high97.4Very high7 Ų741.6 Ų41.64%0.04326%0.26CS..EExtended strand (participates in β ladder)trans-115.3136.6175.2-60.90000109.8R18 V19 F62 T63R18-T74 HydrophobicContact CG-CG2 4.18Å; V19-T74 CarbonylContact O-C 3.56Å; V19-T74 VanDerWaalsContact O-CA 3.31Å; V19-T74 WeakPolarHBondContact O-CA 3.44Å; F62-T74 CarbonylContact C-O 3.13Å; F62-T74 WeakPolarHBondContact CA-O 3.5Å; T63-T74 PolarHBondContact N-O 2.87Å; T63-T74 PolarHBondContact O-N 3.41Å; T63-T74 WeakPolarHBondContact OG1-CB 3.09Å
75I97.8Very high97.3Very high1 Ų145.1 Ų45.11%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-113.2108.1165.8-48.6176.4000106.1R18 V19 R61 F62 M78 Y86R18-I75 CarbonylContact C-O 3.53Å; R18-I75 WeakPolarHBondContact CA-O 3.26Å; V19-I75 HydrophobicContact CB-CB 4.42Å; V19-I75 PolarHBondContact N-O 3.28Å; V19-I75 PolarHBondContact O-N 2.82Å; R61-I75 HydrophobicContact CG-CG2 4.4Å; R61-I75 WeakPolarHBondContact O-CA 3.46Å; F62-I75 HydrophobicContact CD1-CD1 4.24Å; F62-I75 HydrophobicContact CD1-CG1 3.8Å; F62-I75 HydrophobicContact CE1-CD1 3.58Å; F62-I75 HydrophobicContact CE1-CG1 3.64Å; F62-I75 HydrophobicContact CE1-CG2 4.33Å; F62-I75 HydrophobicContact CZ-CD1 4.3Å; F62-I75 HydrophobicContact CZ-CG1 4.5Å; F62-I75 HydrophobicContact CZ-CG2 4.44Å; I75-M78 HydrophobicContact CB-SD 4.41Å; I75-M78 HydrophobicContact CD1-SD 3.83Å; I75-M78 HydrophobicContact CG2-SD 4.04Å; I75-Y86 HydrophobicContact CD1-CE1 4.06Å; I75-Y86 HydrophobicContact CD1-CE2 4.25Å; I75-Y86 WeakPolarHBondContact CD1-OH 3.37Å
76S97.9Very high97.2Very high54 Ų5443.4 Ų43.438%0.37826%0.261SS..SBendtrans-76.2-23.8-170.160.80000114.8R61R61-S76 WeakPolarHBondContact CA-OG 3.49Å; R61-S76 WeakPolarHBondContact CB-OG 3.31Å; R61-S76 PolarHBondContact O-N 2.86Å; R61-S76 PolarHBondContact O-OG 3.47Å
77N97.5Very high97.2Very high76 Ų7645.9 Ų45.941%0.40626%0.262SS..SBendtrans-147.981.4-177178.319.5000108.5G16 R61 Q79G16-N77 VanDerWaalsContact CA-OD1 3.3Å; G16-N77 WeakPolarHBondContact CA-OD1 3.48Å; R61-N77 WeakPolarHBondContact CD-O 3.43Å; N77-Q79 VanDerWaalsContact CG-NE2 3.28Å; N77-Q79 PolarHBondContact ND2-NE2 2.84Å; N77-Q79 PolarHBondContact O-N 2.86Å; N77-Q79 PolarHBondContact O-NE2 3.13Å; N77-Q79 PolarHBondContact OD1-NE2 3.44Å; N77-Q79 VanDerWaalsContact OD1-NE2 3.07Å
78M96.8Very high97.2Very high12 Ų1242.7 Ų42.76%0.05924%0.239CC..  trans-55.4128.8-174.4-169.672177.600111.6T13 V15 G16 D17 V19 I75 D82 L83T13-M78 HydrophobicContact CG2-CE 4.06Å; T13-M78 HydrophobicContact CG2-CG 3.8Å; T13-M78 HydrophobicContact CG2-SD 4.33Å; V15-M78 CarbonylContact C-O 3.59Å; V15-M78 WeakPolarHBondContact CA-O 3.42Å; G16-M78 PolarHBondContact N-O 3.05Å; D17-M78 WeakPolarHBondContact O-CB 3.35Å; D17-M78 PolarHBondContact O-N 2.88Å; V19-M78 HydrophobicContact CG2-CB 4.44Å; V19-M78 HydrophobicContact CG2-CG 4.47Å; V19-M78 HydrophobicContact CG2-SD 4.21Å; I75-M78 HydrophobicContact CB-SD 4.41Å; I75-M78 HydrophobicContact CD1-SD 3.83Å; I75-M78 HydrophobicContact CG2-SD 4.04Å; M78-D82 HydrophobicContact CE-CB 3.65Å; M78-D82 WeakPolarHBondContact CE-O 3Å; M78-D82 HydrophobicContact SD-CB 3.62Å; M78-L83 HydrophobicContact CE-CD2 3.98Å
79Q97.3Very high97.1Very high49 Ų4945.7 Ų45.723%0.22925%0.25CS..  trans-111.5164.5174.6-56.5-56.3-56.800111.6N77 E81 D82N77-Q79 VanDerWaalsContact CG-NE2 3.28Å; N77-Q79 PolarHBondContact ND2-NE2 2.84Å; N77-Q79 PolarHBondContact O-N 2.86Å; N77-Q79 PolarHBondContact O-NE2 3.13Å; N77-Q79 PolarHBondContact OD1-NE2 3.44Å; N77-Q79 VanDerWaalsContact OD1-NE2 3.07Å; Q79-E81 HydrophobicContact CB-CG 4.38Å; Q79-E81 WeakPolarHBondContact CB-OE1 3.39Å; Q79-E81 WeakPolarHBondContact CB-OE2 3.37Å; Q79-E81 PolarHBondContact O-N 2.85Å; Q79-D82 PolarHBondContact N-OD2 3.2Å; Q79-D82 WeakPolarHBondContact O-CB 3.41Å; Q79-D82 PolarHBondContact O-N 3.02Å
80S94.9Very high97.1Very high83 Ų8344.9 Ų44.958%0.5824%0.243SC*.G310 helixtrans-62.1-32.5178.156.80000112.1D82 L83S80-D82 PolarHBondContact O-N 3.01Å; S80-L83 PolarHBondContact O-N 2.02Å
81E95.5Very high97Very high85 Ų8544.3 Ų44.340%0.39724%0.235SC..G310 helixtrans-72.3-9.517573-88.5-165.800114.4K39 R61 Q79 L83K39-E81 WeakPolarHBondContact CE-O 3.49Å; K39-E81 PolarHBondContact NZ-O 2.82Å; R61-E81 IonicContact CZ-OE1 3.26Å; R61-E81 IonicContact NH1-OE1 2.74Å; R61-E81 IonicContact NH2-OE1 3.42Å; R61-E81 PolarHBondContact NH2-OE1 2.65Å; Q79-E81 HydrophobicContact CB-CG 4.38Å; Q79-E81 WeakPolarHBondContact CB-OE1 3.39Å; Q79-E81 WeakPolarHBondContact CB-OE2 3.37Å; Q79-E81 PolarHBondContact O-N 2.85Å; E81-L83 VanDerWaalsContact C-N 3.33Å
82D96.5Very high96.8Very high2 Ų247 Ų471%0.01125%0.254CS..G310 helixtrans-87.9-3.9179.4-58.3-28.5000112.3R61 F62 M78 Q79 S80 A84 Y86R61-D82 WeakPolarHBondContact CD-OD2 3.28Å; R61-D82 IonicContact CZ-OD1 3.5Å; R61-D82 IonicContact CZ-OD2 3.54Å; R61-D82 IonicContact NE-OD1 2.76Å; R61-D82 PolarHBondContact NE-OD1 2.86Å; R61-D82 IonicContact NE-OD2 3.56Å; R61-D82 PolarHBondContact NE-OD2 2.93Å; R61-D82 IonicContact NH2-OD1 3.5Å; R61-D82 PolarHBondContact NH2-OD1 2.77Å; R61-D82 IonicContact NH2-OD2 3.64Å; F62-D82 WeakPolarHBondContact CE2-OD1 3.43Å; F62-D82 HydrophobicContact CZ-CB 4.16Å; F62-D82 WeakPolarHBondContact CZ-OD1 3.35Å; M78-D82 HydrophobicContact CE-CB 3.65Å; M78-D82 WeakPolarHBondContact CE-O 3Å; M78-D82 HydrophobicContact SD-CB 3.62Å; Q79-D82 PolarHBondContact N-OD2 3.2Å; Q79-D82 WeakPolarHBondContact O-CB 3.41Å; Q79-D82 PolarHBondContact O-N 3.02Å; S80-D82 PolarHBondContact O-N 3.01Å; D82-A84 PolarHBondContact O-N 2.9Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.9Å
83L94.4Very high96.3Very high114 Ų11447.6 Ų47.660%0.59726%0.26SS*.  trans-66.5109.5173.4-65.3174.7000110.1M78 S80 E81M78-L83 HydrophobicContact CE-CD2 3.98Å; S80-L83 PolarHBondContact O-N 2.02Å; E81-L83 VanDerWaalsContact C-N 3.33Å
84A96Very high95.4Very high27 Ų2756.8 Ų56.822%0.22330%0.296CS..SBendtrans-167.5167.4-173.100000110.7Q37 Q38 K39 D82 Y86Q37-A84 HydrophobicContact CG-CB 3.32Å; Q38-A84 WeakPolarHBondContact O-CB 3.33Å; K39-A84 HydrophobicContact CG-CB 4.13Å; D82-A84 PolarHBondContact O-N 2.9Å; D82-A84 VanDerWaalsContact O-N 3.1Å; A84-Y86 HydrophobicContact CB-CE2 4.04Å; A84-Y86 VanDerWaalsContact O-CD2 3.3Å; A84-Y86 WeakPolarHBondContact O-CD2 3.41Å; A84-Y86 WeakPolarHBondContact O-CE2 3.29Å
85D96.3Very high93.8Very high85 Ų8564.7 Ų64.746%0.45535%0.347SS..EExtended strand (participates in β ladder)trans-81.1143162.2-64.1-47.7000109.7Q38 F87Q38-D85 PolarHBondContact N-O 3.01Å; Q38-D85 PolarHBondContact O-N 3.09Å; D85-F87 HydrophobicContact CB-CE2 3.67Å; D85-F87 HydrophobicContact CB-CZ 3.76Å
86Y97.1Very high93.6Very high22 Ų2267.9 Ų67.99%0.08637%0.365CS..EExtended strand (participates in β ladder)trans-123.5132.6-178.2-69.7-91.7000110.6Q6 I21 Y36 Q37 L47 F62 L73 I75 D82 A84Q6-Y86 PolarHBondContact NE2-O 2.96Å; Q6-Y86 PolarHBondContact OE1-O 2.88Å; I21-Y86 HydrophobicContact CD1-CD1 4.38Å; I21-Y86 HydrophobicContact CD1-CD2 3.79Å; I21-Y86 HydrophobicContact CD1-CG 3.69Å; Y36-Y86 WeakPolarHBondContact O-CA 3.29Å; Q37-Y86 HydrophobicContact CB-CD1 4.48Å; Q37-Y86 HydrophobicContact CB-CE1 4.17Å; Q37-Y86 HydrophobicContact CG-CE1 4Å; Q37-Y86 PolarHBondContact NE2-OH 3.34Å; L47-Y86 HydrophobicContact CD1-CD1 3.94Å; L47-Y86 HydrophobicContact CD1-CE1 3.65Å; F62-Y86 AromaticContact CE1-CE1 3.87Å; F62-Y86 HydrophobicContact CE1-CE1 3.87Å; L73-Y86 HydrophobicContact CD2-CD1 3.54Å; L73-Y86 HydrophobicContact CD2-CE1 4.07Å; L73-Y86 HydrophobicContact CD2-CG 4.33Å; I75-Y86 HydrophobicContact CD1-CE1 4.06Å; I75-Y86 HydrophobicContact CD1-CE2 4.25Å; I75-Y86 WeakPolarHBondContact CD1-OH 3.37Å; D82-Y86 WeakPolarHBondContact O-CE2 3.43Å; D82-Y86 PolarHBondContact O-OH 2.9Å; A84-Y86 HydrophobicContact CB-CE2 4.04Å; A84-Y86 VanDerWaalsContact O-CD2 3.3Å; A84-Y86 WeakPolarHBondContact O-CD2 3.41Å; A84-Y86 WeakPolarHBondContact O-CE2 3.29Å
87F97.3Very high93.4Very high87 Ų8768.6 Ų68.638%0.38236%0.364SS..EExtended strand (participates in β ladder)trans-128.2135.5-176.1-57.9-77.2000111.7W35 Y36 Q38 D85W35-F87 CarbonylContact C-O 3.5Å; W35-F87 WeakPolarHBondContact CA-O 3.31Å; Y36-F87 PolarHBondContact N-O 2.91Å; Y36-F87 PolarHBondContact O-N 2.8Å; Q38-F87 HydrophobicContact CB-CD2 4.35Å; Q38-F87 HydrophobicContact CB-CE2 3.87Å; Q38-F87 VanDerWaalsContact OE1-CE2 3.32Å; D85-F87 HydrophobicContact CB-CE2 3.67Å; D85-F87 HydrophobicContact CB-CZ 3.76Å
88C97.7Very high93.2Very high15 Ų1568.2 Ų68.210%0.10136%0.362CS..EExtended strand (participates in β ladder)trans-96.4145.6164.762.70000111.1M4 Q6 C23 V33 A34 W35M4-C88 HydrophobicContact CE-CB 4.38Å; Q6-C88 PolarHBondContact OE1-SG 2.96Å; Q6-C88 VanDerWaalsContact OE1-SG 3.41Å; C23-C88 HydrophobicContact CB-CB 3.52Å; C23-C88 WeakPolarHBondContact CB-SG 3.48Å; C23-C88 WeakPolarHBondContact SG-CB 3.2Å; C23-C88 CovalentContact SG-SG 2.02Å; C23-C88 PolarHBondContact SG-SG 3.31Å; V33-C88 HydrophobicContact CG1-CB 4.3Å; A34-C88 CarbonylContact O-C 2.98Å; A34-C88 WeakPolarHBondContact O-CA 3.46Å; W35-C88 HydrophobicContact CD2-CB 4.15Å; W35-C88 HydrophobicContact CE3-CB 3.93Å; W35-C88 HydrophobicContact CH2-CB 4.03Å; W35-C88 HydrophobicContact CZ2-CB 4.2Å; W35-C88 HydrophobicContact CZ3-CB 3.88Å
89Q97.3Very high93Very high77 Ų7771.5 Ų71.536%0.3638%0.379SS..EExtended strand (participates in β ladder)trans-137.1130.9178.4-175.7-136.1-14.900109.1V33 A34 Y36V33-Q89 CarbonylContact C-O 3.56Å; V33-Q89 VanDerWaalsContact CA-O 3.25Å; V33-Q89 WeakPolarHBondContact CA-O 3.26Å; A34-Q89 PolarHBondContact N-O 2.85Å; A34-Q89 PolarHBondContact O-N 2.97Å; Y36-Q89 HydrophobicContact CD2-CB 4.41Å; Y36-Q89 HydrophobicContact CE2-CB 3.79Å; Y36-Q89 PolarHBondContact OH-OE1 3.16Å
90Q97.2Very high92.7Very high30 Ų3072.9 Ų72.914%0.1439%0.389CS..EExtended strand (participates in β ladder)trans-85.1148.1164.971.479.921.900110.8I2 M4 V29 A32 S92 S93I2-Q90 HydrophobicContact CB-CG 4.08Å; I2-Q90 HydrophobicContact CG2-CG 4.02Å; M4-Q90 HydrophobicContact CE-CB 4.02Å; M4-Q90 HydrophobicContact CG-CB 4.26Å; M4-Q90 HydrophobicContact CG-CG 4.1Å; M4-Q90 HydrophobicContact SD-CB 3.78Å; M4-Q90 HydrophobicContact SD-CG 4.04Å; V29-Q90 HydrophobicContact CB-CB 4.37Å; V29-Q90 HydrophobicContact CG1-CB 3.99Å; V29-Q90 HydrophobicContact CG1-CG 4.43Å; A32-Q90 CarbonylContact O-C 3.58Å; A32-Q90 VanDerWaalsContact O-CA 3.29Å; A32-Q90 WeakPolarHBondContact O-CA 3.43Å; Q90-S92 PolarHBondContact OE1-OG 3.42Å; Q90-S93 PolarHBondContact NE2-O 2.77Å
91Y96.2Very high92.6Very high67 Ų6772.3 Ų72.326%0.26338%0.376SS..  trans-135.222.117258.8-93.8000112.7A32 A34 S50 S93A32-Y91 VanDerWaalsContact CA-CZ 3.5Å; A32-Y91 HydrophobicContact CB-CD1 4.49Å; A32-Y91 HydrophobicContact CB-CD2 3.79Å; A32-Y91 HydrophobicContact CB-CE1 4.39Å; A32-Y91 HydrophobicContact CB-CE2 3.66Å; A32-Y91 HydrophobicContact CB-CG 4.21Å; A32-Y91 WeakPolarHBondContact O-CD1 3.24Å; A32-Y91 PolarHBondContact O-N 2.84Å; A34-Y91 HydrophobicContact CB-CD1 4.4Å; A34-Y91 HydrophobicContact CB-CE1 4.15Å; S50-Y91 VanDerWaalsContact CA-OH 3.23Å; S50-Y91 WeakPolarHBondContact CA-OH 3.5Å; S50-Y91 PolarHBondContact N-OH 2.82Å; S50-Y91 PolarHBondContact OG-OH 3.36Å; S50-Y91 VanDerWaalsContact OG-OH 3.12Å; Y91-S93 VanDerWaalsContact C-N 3.32Å
92S94.5Very high92.3Very high57 Ų5771.4 Ų71.440%0.39937%0.374SS..SBendtrans-71.5-27.8174.953.50000112.8V29 Q90V29-S92 WeakPolarHBondContact CB-OG 3.45Å; V29-S92 VanDerWaalsContact CG1-OG 3.28Å; V29-S92 WeakPolarHBondContact CG1-OG 3.38Å; Q90-S92 PolarHBondContact OE1-OG 3.42Å
93S87.5Confident92Very high49 Ų4976.7 Ų76.734%0.34340%0.402SS..SBendtrans-144.3132.1177.162.20000110.5I2 Q90 Y91I2-S93 WeakPolarHBondContact CD1-OG 3.43Å; Q90-S93 PolarHBondContact NE2-O 2.77Å; Y91-S93 VanDerWaalsContact C-N 3.32Å
94Y79.9Confident91.8Very high194 Ų19473.6 Ų73.676%0.76139%0.386SS*.  trans-82.6146.8169-56.1-74.1000109.6
95P65Low91.5Very high173 Ų17377.8 Ų77.8100%1.12340%0.401SS*.  trans-61017125.3-30.5000112.1

Retrieved 95 of 95 residues in 93 ms (Link to these results)

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