A0A061HUB7_CRIGR Loading...

Predicted gene 614

AlphaFold DB , UniProt , Accession A0A061HUB7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene CUNHXorf65, Length 191 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
1M88.6Confident92.6Very high99 Ų9967.5 Ų67.549%0.48834%0.338SS..  0144.70-168139.978.600107.5N16 T17 N18 A68M1-N16 PolarHBondContact N-OD1 3.31Å; M1-N16 CarbonylContact O-C 3.58Å; M1-N16 VanDerWaalsContact O-CA 3.31Å; M1-N16 WeakPolarHBondContact O-CA 3.48Å; M1-N16 PolarHBondContact O-OD1 3.22Å; M1-N16 VanDerWaalsContact O-OD1 3.05Å; M1-T17 PolarHBondContact O-N 3.29Å; M1-T17 PolarHBondContact O-OG1 3.01Å; M1-N18 PolarHBondContact N-ND2 2.91Å; M1-N18 PolarHBondContact N-OD1 3.29Å; M1-A68 HydrophobicContact CE-CB 3.86Å; M1-A68 HydrophobicContact CG-CB 3.3Å; M1-A68 HydrophobicContact SD-CB 3.32Å; M1-A68 WeakPolarHBondContact SD-CB 3.14Å
2F96.7Very high92.8Very high111 Ų11170.5 Ų70.549%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-122.8154.4-171.6-66.1-86.3000112.9L14 V15 N16 R69F2-L14 HydrophobicContact CB-CD2 4.3Å; F2-L14 HydrophobicContact CD1-CB 4.37Å; F2-V15 VanDerWaalsContact CA-O 3.28Å; F2-V15 WeakPolarHBondContact CA-O 3.07Å; F2-N16 HydrophobicContact CD1-CB 4.07Å; F2-N16 HydrophobicContact CE1-CB 3.7Å; F2-N16 HydrophobicContact CZ-CB 4.34Å; F2-R69 PolarHBondContact O-N 3.3Å
3I98.1Very high93.1Very high0 Ų067.2 Ų67.20%033%0.332CS..EExtended strand (participates in β ladder)trans-128.7162169.559.4157.9000110I5 L14 V15 T17 L42 L66 T67 Y72I3-I5 HydrophobicContact CD1-CD1 4.43Å; I3-I5 HydrophobicContact CD1-CG1 4.07Å; I3-L14 WeakPolarHBondContact O-CA 3.31Å; I3-L14 WeakPolarHBondContact O-CD2 2.95Å; I3-V15 HydrophobicContact CG1-CB 4.03Å; I3-V15 PolarHBondContact N-O 3.25Å; I3-V15 PolarHBondContact O-N 3.48Å; I3-T17 HydrophobicContact CB-CG2 4.27Å; I3-T17 HydrophobicContact CD1-CG2 4.3Å; I3-T17 HydrophobicContact CG1-CG2 3.83Å; I3-T17 HydrophobicContact CG2-CG2 3.56Å; I3-L42 HydrophobicContact CD1-CD1 4.12Å; I3-L66 HydrophobicContact CD1-CD1 3.85Å; I3-L66 HydrophobicContact CG2-CB 4.37Å; I3-T67 WeakPolarHBondContact CG2-O 3.22Å; I3-Y72 HydrophobicContact CB-CD2 3.93Å; I3-Y72 HydrophobicContact CB-CE2 4.07Å; I3-Y72 HydrophobicContact CD1-CD2 3.52Å; I3-Y72 HydrophobicContact CD1-CE2 4.09Å; I3-Y72 HydrophobicContact CD1-CG 4.34Å; I3-Y72 HydrophobicContact CG1-CD2 4.34Å; I3-Y72 HydrophobicContact CG2-CD2 4.13Å; I3-Y72 HydrophobicContact CG2-CE2 3.73Å
4F98.1Very high93.4Very high68 Ų6868.7 Ų68.730%0.29834%0.342SS..EExtended strand (participates in β ladder)trans-99.3128.9171.8-61.9-91.7000109.4L14 S70 I71 Y72F4-L14 HydrophobicContact CD1-CD2 3.54Å; F4-L14 HydrophobicContact CD1-CG 4.39Å; F4-L14 HydrophobicContact CD2-CD2 4.35Å; F4-L14 HydrophobicContact CE1-CD2 3.45Å; F4-L14 VanDerWaalsContact CE1-CD2 3.45Å; F4-L14 HydrophobicContact CE1-CG 4.27Å; F4-L14 HydrophobicContact CE2-CD2 4.27Å; F4-L14 HydrophobicContact CG-CD2 4.01Å; F4-L14 HydrophobicContact CZ-CD2 3.82Å; F4-S70 PolarHBondContact N-O 3.3Å; F4-I71 HydrophobicContact CB-CG1 4.1Å; F4-Y72 PolarHBondContact O-N 2.84Å
5I97.8Very high93.7Very high0 Ų064.5 Ų64.50%032%0.322CS..EExtended strand (participates in β ladder)trans-106115.4168.6-63.9-170.5000108.1I3 E12 F13 V15 T28 L42 Y72 V74I3-I5 HydrophobicContact CD1-CD1 4.43Å; I3-I5 HydrophobicContact CD1-CG1 4.07Å; I5-E12 CarbonylContact O-C 3.57Å; I5-E12 WeakPolarHBondContact O-CA 3.31Å; I5-E12 WeakPolarHBondContact O-CB 3.34Å; I5-F13 HydrophobicContact CB-CD1 4.38Å; I5-F13 HydrophobicContact CB-CD2 4.39Å; I5-F13 HydrophobicContact CB-CE1 3.99Å; I5-F13 HydrophobicContact CB-CE2 4.02Å; I5-F13 HydrophobicContact CB-CZ 3.81Å; I5-F13 HydrophobicContact CD1-CE2 3.85Å; I5-F13 HydrophobicContact CD1-CZ 3.93Å; I5-F13 HydrophobicContact CG1-CE2 4.32Å; I5-F13 HydrophobicContact CG1-CZ 4.4Å; I5-F13 HydrophobicContact CG2-CD1 4.46Å; I5-F13 HydrophobicContact CG2-CE1 3.7Å; I5-F13 HydrophobicContact CG2-CE2 4.36Å; I5-F13 HydrophobicContact CG2-CZ 3.64Å; I5-F13 PolarHBondContact N-O 2.89Å; I5-F13 PolarHBondContact O-N 3.44Å; I5-V15 HydrophobicContact CD1-CB 4.4Å; I5-V15 HydrophobicContact CD1-CG2 3.49Å; I5-V15 VanDerWaalsContact CD1-CG2 3.49Å; I5-V15 HydrophobicContact CG1-CG2 3.91Å; I5-T28 HydrophobicContact CD1-CG2 4.16Å; I5-T28 WeakPolarHBondContact CD1-OG1 3.14Å; I5-L42 HydrophobicContact CD1-CD1 4.24Å; I5-L42 HydrophobicContact CD1-CD2 4.07Å; I5-Y72 CarbonylContact C-O 3.5Å; I5-Y72 WeakPolarHBondContact CA-O 3.27Å; I5-V74 HydrophobicContact CG2-CG2 3.35Å
6K95.8Very high93.9Very high61 Ų6164.6 Ų64.627%0.26532%0.323SS..EExtended strand (participates in β ladder)trans-96.8141.9174.4-75.2-172.9-177.5-1800111.2Q11 E12 I71 Y72 Y73K6-Q11 CarbonylContact C-O 3.58Å; K6-Q11 WeakPolarHBondContact CA-O 3.39Å; K6-E12 VanDerWaalsContact CE-OE2 3.29Å; K6-E12 WeakPolarHBondContact CE-OE2 3.39Å; K6-E12 HydrophobicContact CG-CB 4Å; K6-I71 HydrophobicContact CB-CG2 4.34Å; K6-I71 HydrophobicContact CD-CG2 3.72Å; K6-I71 HydrophobicContact CG-CG2 3.95Å; K6-Y72 PolarHBondContact N-O 3.19Å; K6-Y73 HydrophobicContact CB-CD1 3.72Å; K6-Y73 HydrophobicContact CB-CE1 3.7Å; K6-Y73 HydrophobicContact CD-CE1 4.17Å; K6-Y73 HydrophobicContact CG-CE1 4.5Å
7H92.4Very high94.1Very high23 Ų2360.8 Ų60.811%0.10630%0.304CS..EExtended strand (participates in β ladder)trans-157.6164179.867.491.9000113.4D9 N10 Q11 F13 M32 L96H7-D9 PolarHBondContact O-N 3.05Å; H7-N10 PolarHBondContact O-N 2.95Å; H7-Q11 PolarHBondContact CE1-OE1 2.97Å; H7-Q11 VanDerWaalsContact CE1-OE1 3.22Å; H7-Q11 PolarHBondContact N-O 3.35Å; H7-Q11 PolarHBondContact O-N 3.14Å; H7-F13 AromaticContact CD2-CD1 3.78Å; H7-F13 AromaticContact CD2-CE1 3.66Å; H7-F13 AromaticContact NE2-CD1 3.66Å; H7-F13 AromaticContact NE2-CE1 3.81Å; H7-M32 HydrophobicContact CB-CE 3.43Å; H7-M32 VanDerWaalsContact CB-CE 3.43Å; H7-M32 HydrophobicContact CB-SD 3.68Å; H7-L96 CarbonylContact C-O 3.57Å; H7-L96 WeakPolarHBondContact CA-O 3.33Å
8G88.6Confident94.3Very high24 Ų2461.9 Ų61.925%0.24731%0.312CS..BIsolated β-bridgetrans51.7-126.1170.700000113.2N10 L96 K98G8-N10 PolarHBondContact O-N 3.42Å; G8-N10 VanDerWaalsContact O-N 3.1Å; G8-L96 PolarHBondContact N-O 3.47Å; G8-K98 WeakPolarHBondContact O-CB 3.23Å; G8-K98 PolarHBondContact O-N 3.17Å
9D87.8Confident94.5Very high99 Ų9960.4 Ų60.453%0.52931%0.307SS..THydrogen-bonded Turntrans-84.456.9-177.9-154.49.7000111.9H7 Q11 K98H7-D9 PolarHBondContact O-N 3.05Å; D9-Q11 PolarHBondContact O-N 3.08Å; D9-Q11 VanDerWaalsContact O-N 3.13Å; D9-K98 HydrophobicContact CB-CD 3.96Å; D9-K98 WeakPolarHBondContact OD1-CD 3.4Å; D9-K98 IonicContact OD1-NZ 3.42Å; D9-K98 PolarHBondContact OD1-NZ 3.06Å; D9-K98 IonicContact OD2-NZ 2.66Å; D9-K98 PolarHBondContact OD2-NZ 3.45Å
10N81.4Confident94.7Very high140 Ų14058.4 Ų58.475%0.74930%0.299SS*.THydrogen-bonded Turntrans5627.3-176-62.8-36.6000114.4H7 G8H7-N10 PolarHBondContact O-N 2.95Å; G8-N10 PolarHBondContact O-N 3.42Å; G8-N10 VanDerWaalsContact O-N 3.1Å
11Q92.9Very high94.8Very high117 Ų11755.7 Ų55.755%0.54729%0.285SS..EExtended strand (participates in β ladder)trans-76.6148172.3-68.5-174.9-9.900109.7K6 H7 D9K6-Q11 CarbonylContact C-O 3.58Å; K6-Q11 WeakPolarHBondContact CA-O 3.39Å; H7-Q11 PolarHBondContact CE1-OE1 2.97Å; H7-Q11 VanDerWaalsContact CE1-OE1 3.22Å; H7-Q11 PolarHBondContact N-O 3.35Å; H7-Q11 PolarHBondContact O-N 3.14Å; D9-Q11 PolarHBondContact O-N 3.08Å; D9-Q11 VanDerWaalsContact O-N 3.13Å
12E95.6Very high95.3Very high104 Ų10456.1 Ų56.149%0.48629%0.289SS..EExtended strand (participates in β ladder)trans-142.6155.217664.5177.5-141.800113I5 K6I5-E12 CarbonylContact O-C 3.57Å; I5-E12 WeakPolarHBondContact O-CA 3.31Å; I5-E12 WeakPolarHBondContact O-CB 3.34Å; K6-E12 VanDerWaalsContact CE-OE2 3.29Å; K6-E12 WeakPolarHBondContact CE-OE2 3.39Å; K6-E12 HydrophobicContact CG-CB 4Å
13F97.1Very high95.3Very high27 Ų2755.7 Ų55.712%0.11829%0.291CS..EExtended strand (participates in β ladder)trans-144.3151.6170.162.1-87.8000111.5I5 H7 V15 Y27 T28 K31 M32I5-F13 HydrophobicContact CB-CD1 4.38Å; I5-F13 HydrophobicContact CB-CD2 4.39Å; I5-F13 HydrophobicContact CB-CE1 3.99Å; I5-F13 HydrophobicContact CB-CE2 4.02Å; I5-F13 HydrophobicContact CB-CZ 3.81Å; I5-F13 HydrophobicContact CD1-CE2 3.85Å; I5-F13 HydrophobicContact CD1-CZ 3.93Å; I5-F13 HydrophobicContact CG1-CE2 4.32Å; I5-F13 HydrophobicContact CG1-CZ 4.4Å; I5-F13 HydrophobicContact CG2-CD1 4.46Å; I5-F13 HydrophobicContact CG2-CE1 3.7Å; I5-F13 HydrophobicContact CG2-CE2 4.36Å; I5-F13 HydrophobicContact CG2-CZ 3.64Å; I5-F13 PolarHBondContact N-O 2.89Å; I5-F13 PolarHBondContact O-N 3.44Å; H7-F13 AromaticContact CD2-CD1 3.78Å; H7-F13 AromaticContact CD2-CE1 3.66Å; H7-F13 AromaticContact NE2-CD1 3.66Å; H7-F13 AromaticContact NE2-CE1 3.81Å; F13-V15 HydrophobicContact CD2-CG2 3.61Å; F13-V15 HydrophobicContact CE2-CG2 3.4Å; F13-V15 VanDerWaalsContact CE2-CG2 3.4Å; F13-Y27 AromaticContact CD2-CE1 3.91Å; F13-Y27 HydrophobicContact CD2-CE1 3.91Å; F13-Y27 HydrophobicContact CE2-CD1 4.24Å; F13-Y27 AromaticContact CE2-CE1 3.82Å; F13-Y27 HydrophobicContact CE2-CE1 3.82Å; F13-T28 HydrophobicContact CZ-CG2 4.26Å; F13-K31 HydrophobicContact CD1-CB 4.47Å; F13-K31 HydrophobicContact CD2-CG 4.31Å; F13-K31 HydrophobicContact CE1-CB 3.98Å; F13-K31 HydrophobicContact CE2-CB 4.14Å; F13-K31 HydrophobicContact CE2-CG 4.12Å; F13-K31 HydrophobicContact CZ-CB 3.79Å; F13-K31 HydrophobicContact CZ-CG 4.29Å; F13-M32 HydrophobicContact CE1-SD 4.23Å
14L97.1Very high95.3Very high89 Ų8955.7 Ų55.747%0.46629%0.291SS..EExtended strand (participates in β ladder)trans-82.9142.9176.3-72.4172.3000111.5F2 I3 F4F2-L14 HydrophobicContact CB-CD2 4.3Å; F2-L14 HydrophobicContact CD1-CB 4.37Å; I3-L14 WeakPolarHBondContact O-CA 3.31Å; I3-L14 WeakPolarHBondContact O-CD2 2.95Å; F4-L14 HydrophobicContact CD1-CD2 3.54Å; F4-L14 HydrophobicContact CD1-CG 4.39Å; F4-L14 HydrophobicContact CD2-CD2 4.35Å; F4-L14 HydrophobicContact CE1-CD2 3.45Å; F4-L14 VanDerWaalsContact CE1-CD2 3.45Å; F4-L14 HydrophobicContact CE1-CG 4.27Å; F4-L14 HydrophobicContact CE2-CD2 4.27Å; F4-L14 HydrophobicContact CG-CD2 4.01Å; F4-L14 HydrophobicContact CZ-CD2 3.82Å
15V97.1Very high95.3Very high6 Ų653.5 Ų53.54%0.03628%0.282CS..EExtended strand (participates in β ladder)trans-129.8132.4173.3-173.80000110.7F2 I3 I5 F13 T17 L24 Y27F2-V15 VanDerWaalsContact CA-O 3.28Å; F2-V15 WeakPolarHBondContact CA-O 3.07Å; I3-V15 HydrophobicContact CG1-CB 4.03Å; I3-V15 PolarHBondContact N-O 3.25Å; I3-V15 PolarHBondContact O-N 3.48Å; I5-V15 HydrophobicContact CD1-CB 4.4Å; I5-V15 HydrophobicContact CD1-CG2 3.49Å; I5-V15 VanDerWaalsContact CD1-CG2 3.49Å; I5-V15 HydrophobicContact CG1-CG2 3.91Å; F13-V15 HydrophobicContact CD2-CG2 3.61Å; F13-V15 HydrophobicContact CE2-CG2 3.4Å; F13-V15 VanDerWaalsContact CE2-CG2 3.4Å; V15-T17 PolarHBondContact O-N 3.23Å; V15-L24 HydrophobicContact CG1-CD1 3.63Å; V15-L24 HydrophobicContact CG1-CG 3.87Å; V15-Y27 HydrophobicContact CG1-CD1 4.48Å; V15-Y27 HydrophobicContact CG2-CD1 4.22Å; V15-Y27 HydrophobicContact CG2-CE1 4.06Å
16N97.2Very high95.3Very high65 Ų6558 Ų5835%0.34830%0.303SS..EExtended strand (participates in β ladder)trans-77.3116.8173.7-175.8-0.6000110.2M1 F2 N18 C19M1-N16 PolarHBondContact N-OD1 3.31Å; M1-N16 CarbonylContact O-C 3.58Å; M1-N16 VanDerWaalsContact O-CA 3.31Å; M1-N16 WeakPolarHBondContact O-CA 3.48Å; M1-N16 PolarHBondContact O-OD1 3.22Å; M1-N16 VanDerWaalsContact O-OD1 3.05Å; F2-N16 HydrophobicContact CD1-CB 4.07Å; F2-N16 HydrophobicContact CE1-CB 3.7Å; F2-N16 HydrophobicContact CZ-CB 4.34Å; N16-N18 VanDerWaalsContact C-N 3.26Å; N16-N18 PolarHBondContact O-N 3.37Å; N16-N18 VanDerWaalsContact OD1-CB 3.27Å; N16-N18 WeakPolarHBondContact OD1-CB 3.36Å; N16-N18 PolarHBondContact OD1-N 3.29Å; N16-C19 PolarHBondContact O-N 3.36Å; N16-C19 PolarHBondContact O-SG 2.87Å
17T97.8Very high95.4Very high0 Ų059.4 Ų59.40%031%0.307CS..THydrogen-bonded Turntrans-80.9-2.7179.658.10000113.9M1 I3 V15 C19 A62 S63 L66M1-T17 PolarHBondContact O-N 3.29Å; M1-T17 PolarHBondContact O-OG1 3.01Å; I3-T17 HydrophobicContact CB-CG2 4.27Å; I3-T17 HydrophobicContact CD1-CG2 4.3Å; I3-T17 HydrophobicContact CG1-CG2 3.83Å; I3-T17 HydrophobicContact CG2-CG2 3.56Å; V15-T17 PolarHBondContact O-N 3.23Å; T17-C19 PolarHBondContact O-N 3.46Å; T17-A62 PolarHBondContact O-N 3.08Å; T17-S63 PolarHBondContact O-N 3.35Å; T17-L66 HydrophobicContact CG2-CB 4.06Å; T17-L66 HydrophobicContact CG2-CD1 4.02Å
18N97.6Very high95.7Very high82 Ų8258.3 Ų58.344%0.43930%0.302SS..THydrogen-bonded Turntrans-78.62.2169.9-60.3-2.4000112.5M1 N16 Y61M1-N18 PolarHBondContact N-ND2 2.91Å; M1-N18 PolarHBondContact N-OD1 3.29Å; N16-N18 VanDerWaalsContact C-N 3.26Å; N16-N18 PolarHBondContact O-N 3.37Å; N16-N18 VanDerWaalsContact OD1-CB 3.27Å; N16-N18 WeakPolarHBondContact OD1-CB 3.36Å; N16-N18 PolarHBondContact OD1-N 3.29Å; N18-Y61 WeakPolarHBondContact O-CD1 3.32Å; N18-Y61 WeakPolarHBondContact O-CE1 3.32Å
19C97.4Very high96.1Very high33 Ų3358.9 Ų58.922%0.22330%0.298CS..SBendtrans-88.3166.716874.50000111N16 T17 L23 Y61 A62N16-C19 PolarHBondContact O-N 3.36Å; N16-C19 PolarHBondContact O-SG 2.87Å; T17-C19 PolarHBondContact O-N 3.46Å; C19-L23 HydrophobicContact CB-CB 4.31Å; C19-Y61 WeakPolarHBondContact O-CA 3.43Å; C19-A62 PolarHBondContact O-N 3.4Å
20S98.4Very high96.6Very high20 Ų2062 Ų6214%0.1431%0.306CS..BIsolated β-bridgetrans-69.2154.2176.465.80000111.7L22 L23 L24 G59 D60S20-L22 PolarHBondContact O-N 3.04Å; S20-L23 PolarHBondContact O-N 3.25Å; S20-L23 VanDerWaalsContact O-N 3.1Å; S20-L23 WeakPolarHBondContact OG-CG 3.48Å; S20-L23 PolarHBondContact OG-N 2.79Å; S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 PolarHBondContact O-N 3.21Å; S20-G59 VanDerWaalsContact CB-O 3.32Å; S20-G59 WeakPolarHBondContact CB-O 3.2Å; S20-D60 CarbonylContact C-O 3.56Å; S20-D60 VanDerWaalsContact CA-O 3.22Å; S20-D60 WeakPolarHBondContact CA-O 3.45Å
21V98.3Very high97.3Very high1 Ų160.8 Ų60.81%0.00630%0.295CS..Hα-helixtrans-52.4-41.7173.1171.70000111.4L23 L24 L25 L52 P58 D60 A62 F65V21-L23 PolarHBondContact O-N 3.24Å; V21-L24 PolarHBondContact O-N 2.85Å; V21-L25 HydrophobicContact CG1-CD1 4Å; V21-L25 HydrophobicContact CG1-CG 4.35Å; V21-L25 WeakPolarHBondContact O-CG 3.28Å; V21-L25 PolarHBondContact O-N 2.8Å; V21-L52 HydrophobicContact CG1-CB 3.8Å; V21-L52 HydrophobicContact CG1-CD2 4.33Å; V21-L52 HydrophobicContact CG1-CG 4.48Å; V21-L52 HydrophobicContact CG2-CD2 4.25Å; V21-P58 PolarHBondContact N-O 3.46Å; V21-D60 PolarHBondContact N-O 2.78Å; V21-A62 HydrophobicContact CG2-CB 4.24Å; V21-F65 HydrophobicContact CG2-CD2 3.7Å; V21-F65 HydrophobicContact CG2-CE2 3.67Å
22L97.8Very high97.4Very high109 Ų10957 Ų5757%0.57128%0.277SS*.Hα-helixtrans-57.8-49.8176.6-179.463.6000112.3S20 H26 P58S20-L22 PolarHBondContact O-N 3.04Å; L22-H26 VanDerWaalsContact O-CB 3.3Å; L22-H26 WeakPolarHBondContact O-CB 3.39Å; L22-H26 PolarHBondContact O-N 2.85Å; L22-P58 HydrophobicContact CB-CB 4.23Å; L22-P58 WeakPolarHBondContact CB-O 3.32Å; L22-P58 PolarHBondContact N-O 2.92Å
23L98Very high97.4Very high101 Ų10155.3 Ų55.353%0.52929%0.288SS..Hα-helixtrans-67.8-39.8-178.8-73.3175.1000111.2C19 S20 V21 H26 Y27C19-L23 HydrophobicContact CB-CB 4.31Å; S20-L23 PolarHBondContact O-N 3.25Å; S20-L23 VanDerWaalsContact O-N 3.1Å; S20-L23 WeakPolarHBondContact OG-CG 3.48Å; S20-L23 PolarHBondContact OG-N 2.79Å; V21-L23 PolarHBondContact O-N 3.24Å; L23-H26 PolarHBondContact O-N 3.26Å; L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 2.91Å
24L98.2Very high97.3Very high1 Ų156 Ų561%0.00529%0.293CS..Hα-helixtrans-58-54.9175.5-175.7142000110.9V15 S20 V21 H26 Y27 T28 L42 L52 A62 L66V15-L24 HydrophobicContact CG1-CD1 3.63Å; V15-L24 HydrophobicContact CG1-CG 3.87Å; S20-L24 WeakPolarHBondContact O-CB 3.42Å; S20-L24 PolarHBondContact O-N 3.21Å; V21-L24 PolarHBondContact O-N 2.85Å; L24-H26 VanDerWaalsContact C-N 3.31Å; L24-H26 PolarHBondContact O-N 3.1Å; L24-Y27 PolarHBondContact O-N 3.39Å; L24-T28 WeakPolarHBondContact O-CB 3.3Å; L24-T28 PolarHBondContact O-N 3.49Å; L24-T28 PolarHBondContact O-OG1 3.28Å; L24-L42 HydrophobicContact CD2-CD1 3.98Å; L24-L52 HydrophobicContact CD2-CD1 4.24Å; L24-A62 HydrophobicContact CB-CB 4.37Å; L24-A62 HydrophobicContact CD1-CB 3.61Å; L24-L66 HydrophobicContact CD1-CD1 3.67Å; L24-L66 HydrophobicContact CD2-CD1 4.5Å
25L97.9Very high97.3Very high22 Ų2259.3 Ų59.312%0.11530%0.299CS..Hα-helixtrans-64.4-36.1-179.3-65.8178000111.9V21 K29 I40 L52V21-L25 HydrophobicContact CG1-CD1 4Å; V21-L25 HydrophobicContact CG1-CG 4.35Å; V21-L25 WeakPolarHBondContact O-CG 3.28Å; V21-L25 PolarHBondContact O-N 2.8Å; L25-K29 WeakPolarHBondContact O-CG 3.33Å; L25-K29 PolarHBondContact O-N 2.99Å; L25-I40 HydrophobicContact CD2-CD1 4.44Å; L25-I40 HydrophobicContact CD2-CG1 4.29Å; L25-L52 HydrophobicContact CD1-CB 4.04Å; L25-L52 HydrophobicContact CD2-CB 4.28Å; L25-L52 HydrophobicContact CD2-CD1 4.19Å; L25-L52 HydrophobicContact CG-CB 4.47Å
26H97.8Very high97.2Very high93 Ų9367.2 Ų67.243%0.43133%0.333SS..Hα-helixtrans-63.2-47.9174.7-178.978.1000112.1L22 L23 L24 K29 K30L22-H26 VanDerWaalsContact O-CB 3.3Å; L22-H26 WeakPolarHBondContact O-CB 3.39Å; L22-H26 PolarHBondContact O-N 2.85Å; L23-H26 PolarHBondContact O-N 3.26Å; L24-H26 VanDerWaalsContact C-N 3.31Å; L24-H26 PolarHBondContact O-N 3.1Å; H26-K29 PolarHBondContact O-N 2.96Å; H26-K30 PolarHBondContact O-N 3.39Å; H26-K30 VanDerWaalsContact O-N 3.08Å
27Y97.9Very high97Very high91 Ų9169.5 Ų69.536%0.35735%0.349SS..Hα-helixtrans-62.6-45.2178174.9-103.9000111.5F13 V15 L23 L24 K29 K30 K31F13-Y27 AromaticContact CD2-CE1 3.91Å; F13-Y27 HydrophobicContact CD2-CE1 3.91Å; F13-Y27 HydrophobicContact CE2-CD1 4.24Å; F13-Y27 AromaticContact CE2-CE1 3.82Å; F13-Y27 HydrophobicContact CE2-CE1 3.82Å; V15-Y27 HydrophobicContact CG1-CD1 4.48Å; V15-Y27 HydrophobicContact CG2-CD1 4.22Å; V15-Y27 HydrophobicContact CG2-CE1 4.06Å; L23-Y27 VanDerWaalsContact O-CB 3.31Å; L23-Y27 WeakPolarHBondContact O-CB 3.47Å; L23-Y27 PolarHBondContact O-N 2.91Å; L24-Y27 PolarHBondContact O-N 3.39Å; Y27-K29 PolarHBondContact O-N 3.09Å; Y27-K30 WeakPolarHBondContact O-CB 3.32Å; Y27-K30 PolarHBondContact O-N 3.02Å; Y27-K30 VanDerWaalsContact O-N 3.14Å; Y27-K31 HydrophobicContact CD1-CG 4.33Å; Y27-K31 HydrophobicContact CD2-CG 4.45Å; Y27-K31 HydrophobicContact CE1-CG 3.84Å; Y27-K31 HydrophobicContact CE2-CD 4.45Å; Y27-K31 HydrophobicContact CE2-CG 3.97Å; Y27-K31 VanDerWaalsContact CZ-CE 3.46Å; Y27-K31 PolarHBondContact O-N 3.02Å; Y27-K31 WeakPolarHBondContact OH-CE 3.49Å
28T97.8Very high96.9Very high0 Ų070.2 Ų70.20%035%0.353CS..Hα-helixtrans-57.9-47176.2-61.20000110.9I5 F13 L24 K30 K31 M32 I40 V74I5-T28 HydrophobicContact CD1-CG2 4.16Å; I5-T28 WeakPolarHBondContact CD1-OG1 3.14Å; F13-T28 HydrophobicContact CZ-CG2 4.26Å; L24-T28 WeakPolarHBondContact O-CB 3.3Å; L24-T28 PolarHBondContact O-N 3.49Å; L24-T28 PolarHBondContact O-OG1 3.28Å; T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 2.92Å; T28-K31 PolarHBondContact O-N 3.38Å; T28-M32 HydrophobicContact CG2-CG 4.28Å; T28-M32 WeakPolarHBondContact O-CB 3.46Å; T28-M32 WeakPolarHBondContact O-CG 3.41Å; T28-M32 PolarHBondContact O-N 2.94Å; T28-I40 HydrophobicContact CG2-CD1 3.58Å; T28-V74 HydrophobicContact CG2-CG1 4.09Å; T28-V74 HydrophobicContact CG2-CG2 3.61Å
29K97.9Very high96.9Very high37 Ų3768.5 Ų68.516%0.16135%0.346CS..Hα-helixtrans-57.8-43.9175.2-75.8-169.6-75.9-167.80112.7L25 H26 Y27 M32 G33 L34 K36 D38 I40L25-K29 WeakPolarHBondContact O-CG 3.33Å; L25-K29 PolarHBondContact O-N 2.99Å; H26-K29 PolarHBondContact O-N 2.96Å; Y27-K29 PolarHBondContact O-N 3.09Å; K29-M32 CarbonylContact O-C 3.48Å; K29-M32 PolarHBondContact O-N 3.47Å; K29-G33 PolarHBondContact O-N 2.9Å; K29-G33 VanDerWaalsContact O-N 3.12Å; K29-L34 HydrophobicContact CB-CB 4.23Å; K29-L34 HydrophobicContact CG-CB 4.28Å; K29-L34 HydrophobicContact CG-CD1 4.44Å; K29-L34 PolarHBondContact O-N 3.26Å; K29-K36 PolarHBondContact NZ-O 2.87Å; K29-D38 WeakPolarHBondContact CD-O 3.29Å; K29-D38 PolarHBondContact NZ-O 3.38Å; K29-D38 VanDerWaalsContact NZ-O 3.09Å; K29-I40 HydrophobicContact CD-CD1 4.42Å; K29-I40 HydrophobicContact CD-CG1 4.15Å; K29-I40 HydrophobicContact CG-CD1 3.47Å; K29-I40 VanDerWaalsContact CG-CD1 3.47Å; K29-I40 HydrophobicContact CG-CG1 3.71Å; K29-I40 HydrophobicContact CG-CG2 4.27Å
30K97.2Very high96.9Very high163 Ų16367.1 Ų67.171%0.70934%0.336SS*.Hα-helixtrans-62.7-43.8178.2-175178179.3-179.80111.6H26 Y27 T28 M32 G33H26-K30 PolarHBondContact O-N 3.39Å; H26-K30 VanDerWaalsContact O-N 3.08Å; Y27-K30 WeakPolarHBondContact O-CB 3.32Å; Y27-K30 PolarHBondContact O-N 3.02Å; Y27-K30 VanDerWaalsContact O-N 3.14Å; T28-K30 VanDerWaalsContact C-N 3.32Å; T28-K30 PolarHBondContact O-N 2.92Å; K30-M32 VanDerWaalsContact C-N 3.3Å; K30-M32 PolarHBondContact O-N 3.31Å; K30-G33 PolarHBondContact O-N 3.03Å
31K96.5Very high96.9Very high115 Ų11566.2 Ų66.250%0.533%0.33SS..Hα-helixtrans-64.3-35.5176.9-79.7-63.4-170.1177.20112.9F13 Y27 T28 G33F13-K31 HydrophobicContact CD1-CB 4.47Å; F13-K31 HydrophobicContact CD2-CG 4.31Å; F13-K31 HydrophobicContact CE1-CB 3.98Å; F13-K31 HydrophobicContact CE2-CB 4.14Å; F13-K31 HydrophobicContact CE2-CG 4.12Å; F13-K31 HydrophobicContact CZ-CB 3.79Å; F13-K31 HydrophobicContact CZ-CG 4.29Å; Y27-K31 HydrophobicContact CD1-CG 4.33Å; Y27-K31 HydrophobicContact CD2-CG 4.45Å; Y27-K31 HydrophobicContact CE1-CG 3.84Å; Y27-K31 HydrophobicContact CE2-CD 4.45Å; Y27-K31 HydrophobicContact CE2-CG 3.97Å; Y27-K31 VanDerWaalsContact CZ-CE 3.46Å; Y27-K31 PolarHBondContact O-N 3.02Å; Y27-K31 WeakPolarHBondContact OH-CE 3.49Å; T28-K31 PolarHBondContact O-N 3.38Å; K31-G33 VanDerWaalsContact C-N 3.3Å; K31-G33 PolarHBondContact O-N 3.03Å
32M94.6Very high96.9Very high37 Ų3766.1 Ų66.118%0.18233%0.329CS..THydrogen-bonded Turntrans-83.4-0178.8-64.8-59-68.100114.1H7 F13 T28 K29 K30 L34 V74 L96H7-M32 HydrophobicContact CB-CE 3.43Å; H7-M32 VanDerWaalsContact CB-CE 3.43Å; H7-M32 HydrophobicContact CB-SD 3.68Å; F13-M32 HydrophobicContact CE1-SD 4.23Å; T28-M32 HydrophobicContact CG2-CG 4.28Å; T28-M32 WeakPolarHBondContact O-CB 3.46Å; T28-M32 WeakPolarHBondContact O-CG 3.41Å; T28-M32 PolarHBondContact O-N 2.94Å; K29-M32 CarbonylContact O-C 3.48Å; K29-M32 PolarHBondContact O-N 3.47Å; K30-M32 VanDerWaalsContact C-N 3.3Å; K30-M32 PolarHBondContact O-N 3.31Å; M32-L34 HydrophobicContact CB-CD1 3.75Å; M32-L34 HydrophobicContact CB-CG 3.67Å; M32-L34 HydrophobicContact CG-CD1 4.48Å; M32-L34 PolarHBondContact O-N 3.22Å; M32-V74 HydrophobicContact CE-CB 4.44Å; M32-V74 HydrophobicContact CE-CG2 4.47Å; M32-V74 HydrophobicContact CG-CG1 4.42Å; M32-V74 HydrophobicContact CG-CG2 4.14Å; M32-V74 HydrophobicContact SD-CG2 4.2Å; M32-L96 HydrophobicContact CE-CB 3.86Å; M32-L96 HydrophobicContact CE-CD1 3.8Å
33G95.5Very high96.9Very high70 Ų7061 Ų6172%0.72230%0.302SS*.THydrogen-bonded Turntrans63.921.8-176.200000114.2K29 K30 K31K29-G33 PolarHBondContact O-N 2.9Å; K29-G33 VanDerWaalsContact O-N 3.12Å; K30-G33 PolarHBondContact O-N 3.03Å; K31-G33 VanDerWaalsContact C-N 3.3Å; K31-G33 PolarHBondContact O-N 3.03Å
34L96.4Very high96.9Very high40 Ų4057.7 Ų57.721%0.20929%0.285CS..  trans-84.2156.1-177-60.6174.4000111.7K29 M32 D38 I40 L96K29-L34 HydrophobicContact CB-CB 4.23Å; K29-L34 HydrophobicContact CG-CB 4.28Å; K29-L34 HydrophobicContact CG-CD1 4.44Å; K29-L34 PolarHBondContact O-N 3.26Å; M32-L34 HydrophobicContact CB-CD1 3.75Å; M32-L34 HydrophobicContact CB-CG 3.67Å; M32-L34 HydrophobicContact CG-CD1 4.48Å; M32-L34 PolarHBondContact O-N 3.22Å; L34-D38 HydrophobicContact CB-CB 4.49Å; L34-I40 HydrophobicContact CD1-CG2 3.56Å; L34-L96 HydrophobicContact CD1-CD1 3.8Å; L34-L96 HydrophobicContact CD2-CD1 4.27Å
35R96.3Very high96.8Very high160 Ų16062.9 Ų62.960%0.60431%0.31SS*.  trans-70.4150.5177.4-58177.2-62.9178.63.4109.7T37 D38R35-T37 PolarHBondContact O-N 3.13Å; R35-T37 VanDerWaalsContact O-N 3.16Å; R35-D38 VanDerWaalsContact CB-OD2 3.32Å; R35-D38 WeakPolarHBondContact CB-OD2 3.37Å; R35-D38 IonicContact CZ-OD1 2.8Å; R35-D38 PolarHBondContact N-OD2 2.86Å; R35-D38 IonicContact NE-OD1 3.69Å; R35-D38 PolarHBondContact NE-OD1 3.31Å; R35-D38 IonicContact NE-OD2 3.65Å; R35-D38 IonicContact NH2-OD1 3.36Å; R35-D38 PolarHBondContact NH2-OD1 3.46Å; R35-D38 WeakPolarHBondContact O-CB 3.19Å; R35-D38 PolarHBondContact O-N 3Å
36K93.9Very high96.7Very high172 Ų17266.3 Ų66.375%0.74833%0.331SS*.THydrogen-bonded Turntrans-58.3-31.2176.3-67-178.2-177.7176.60112.5K29K29-K36 PolarHBondContact NZ-O 2.87Å
37T93.6Very high96.7Very high112 Ų11261.9 Ų61.969%0.68731%0.311SS*.THydrogen-bonded Turntrans-78.9-16178.850.30000113.8R35 T39R35-T37 PolarHBondContact O-N 3.13Å; R35-T37 VanDerWaalsContact O-N 3.16Å; T37-T39 PolarHBondContact O-N 3.1Å
38D96.1Very high96.7Very high15 Ų1560.5 Ų60.58%0.0831%0.312CS..  trans-66.1136177.2-64.9-38.3000109.4K29 L34 R35K29-D38 WeakPolarHBondContact CD-O 3.29Å; K29-D38 PolarHBondContact NZ-O 3.38Å; K29-D38 VanDerWaalsContact NZ-O 3.09Å; L34-D38 HydrophobicContact CB-CB 4.49Å; R35-D38 VanDerWaalsContact CB-OD2 3.32Å; R35-D38 WeakPolarHBondContact CB-OD2 3.37Å; R35-D38 IonicContact CZ-OD1 2.8Å; R35-D38 PolarHBondContact N-OD2 2.86Å; R35-D38 IonicContact NE-OD1 3.69Å; R35-D38 PolarHBondContact NE-OD1 3.31Å; R35-D38 IonicContact NE-OD2 3.65Å; R35-D38 IonicContact NH2-OD1 3.36Å; R35-D38 PolarHBondContact NH2-OD1 3.46Å; R35-D38 WeakPolarHBondContact O-CB 3.19Å; R35-D38 PolarHBondContact O-N 3Å
39T97.2Very high96.7Very high47 Ų4761 Ų6129%0.28832%0.315SS..  trans-90.7124.2172.7-57.10000108T37 F53 V77T37-T39 PolarHBondContact O-N 3.1Å; T39-F53 HydrophobicContact CG2-CB 3.99Å; T39-F53 HydrophobicContact CG2-CD2 3.9Å; T39-F53 HydrophobicContact CG2-CG 4.12Å; T39-V77 HydrophobicContact CG2-CB 3.87Å; T39-V77 HydrophobicContact CG2-CG1 4.46Å; T39-V77 HydrophobicContact CG2-CG2 4.31Å; T39-V77 PolarHBondContact O-N 2.87Å
40I98.1Very high96.7Very high4 Ų461.3 Ų61.32%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-129.5159.8176.165.4159.2000110.3L25 T28 K29 L34 V74 C75L25-I40 HydrophobicContact CD2-CD1 4.44Å; L25-I40 HydrophobicContact CD2-CG1 4.29Å; T28-I40 HydrophobicContact CG2-CD1 3.58Å; K29-I40 HydrophobicContact CD-CD1 4.42Å; K29-I40 HydrophobicContact CD-CG1 4.15Å; K29-I40 HydrophobicContact CG-CD1 3.47Å; K29-I40 VanDerWaalsContact CG-CD1 3.47Å; K29-I40 HydrophobicContact CG-CG1 3.71Å; K29-I40 HydrophobicContact CG-CG2 4.27Å; L34-I40 HydrophobicContact CD1-CG2 3.56Å; I40-V74 HydrophobicContact CB-CG1 4.31Å; I40-V74 HydrophobicContact CD1-CG1 4.08Å; I40-V74 HydrophobicContact CG2-CG1 4.44Å; I40-C75 CarbonylContact C-O 3.52Å; I40-C75 WeakPolarHBondContact CA-O 3.45Å; I40-C75 WeakPolarHBondContact CB-O 3.17Å
41D98.3Very high96.8Very high0 Ų056.8 Ų56.80%030%0.299CS..EExtended strand (participates in β ladder)trans-143.9179.8169.7-161.518.2000109.9M49 L51 L52 F53 C75 V77D41-M49 HydrophobicContact CB-CE 3.56Å; D41-M49 WeakPolarHBondContact OD2-CE 3.14Å; D41-L51 WeakPolarHBondContact OD2-CA 3.22Å; D41-L51 PolarHBondContact OD2-N 3.21Å; D41-L52 WeakPolarHBondContact OD1-CB 3.22Å; D41-L52 WeakPolarHBondContact OD1-CG 3.37Å; D41-L52 PolarHBondContact OD1-N 2.87Å; D41-F53 HydrophobicContact CB-CD1 3.7Å; D41-F53 HydrophobicContact CB-CE1 4.34Å; D41-F53 WeakPolarHBondContact OD2-CD1 3.46Å; D41-C75 PolarHBondContact N-O 3.16Å; D41-C75 PolarHBondContact O-N 3.01Å; D41-V77 HydrophobicContact CB-CG2 4.3Å
42L98.4Very high96.8Very high0 Ų051.5 Ų51.50%028%0.276CS..EExtended strand (participates in β ladder)trans-112.2142.2171.7-58.5-176.5000110.7I3 I5 L24 K50 L52 L66 Y72 Y73 V74I3-L42 HydrophobicContact CD1-CD1 4.12Å; I5-L42 HydrophobicContact CD1-CD1 4.24Å; I5-L42 HydrophobicContact CD1-CD2 4.07Å; L24-L42 HydrophobicContact CD2-CD1 3.98Å; L42-K50 HydrophobicContact CB-CG 4.43Å; L42-K50 WeakPolarHBondContact O-CG 3.41Å; L42-K50 PolarHBondContact O-N 2.92Å; L42-L52 HydrophobicContact CD1-CD1 4.25Å; L42-L52 HydrophobicContact CG-CD1 4.32Å; L42-L66 HydrophobicContact CD1-CD1 4.13Å; L42-L66 HydrophobicContact CD1-CD2 4.1Å; L42-Y72 HydrophobicContact CB-CD1 4.44Å; L42-Y72 HydrophobicContact CD1-CG 4.46Å; L42-Y73 WeakPolarHBondContact CA-O 3.29Å; L42-V74 HydrophobicContact CD2-CG2 4.21Å
43C98.3Very high96.9Very high0 Ų051.6 Ų51.60%028%0.276CS..EExtended strand (participates in β ladder)trans-118.5154.9161.971.80000110.3T48 M49 Y72 Y73 C75 L108C43-T48 WeakPolarHBondContact CA-O 3.22Å; C43-M49 HydrophobicContact CB-CG 4.47Å; C43-M49 HydrophobicContact CB-SD 3.89Å; C43-Y72 CarbonylContact O-C 3.5Å; C43-Y72 VanDerWaalsContact O-CA 3.22Å; C43-Y72 WeakPolarHBondContact O-CA 3.32Å; C43-Y72 WeakPolarHBondContact O-CD1 3.45Å; C43-Y73 PolarHBondContact N-O 2.87Å; C43-Y73 PolarHBondContact O-N 3.23Å; C43-C75 PolarHBondContact SG-SG 2.92Å; C43-L108 HydrophobicContact CB-CD2 3.89Å
44D97.7Very high96.9Very high33 Ų3351.7 Ų51.718%0.17626%0.259CS..EExtended strand (participates in β ladder)trans-82.6-174.3171.156.922000112T46 G47 T48 K50 Y72D44-T46 PolarHBondContact O-N 2.76Å; D44-T46 PolarHBondContact OD1-N 2.81Å; D44-T46 PolarHBondContact OD1-OG1 3.47Å; D44-G47 PolarHBondContact O-N 3.24Å; D44-G47 PolarHBondContact OD1-N 2.8Å; D44-T48 PolarHBondContact N-O 3.12Å; D44-T48 WeakPolarHBondContact OD1-CA 3.38Å; D44-T48 VanDerWaalsContact OD1-CB 3.25Å; D44-T48 WeakPolarHBondContact OD1-CB 3.36Å; D44-T48 PolarHBondContact OD1-N 3.45Å; D44-T48 WeakPolarHBondContact OD2-CB 3.44Å; D44-K50 IonicContact OD2-NZ 3.45Å; D44-K50 PolarHBondContact OD2-NZ 3.13Å; D44-Y72 HydrophobicContact CB-CD1 4.12Å; D44-Y72 HydrophobicContact CB-CE1 3.89Å
45E96.1Very high96.8Very high110 Ų11051.1 Ų51.151%0.51426%0.258SS..THydrogen-bonded Turntrans-61.5-24.4-176.4-64.4177.197.600113.8G47 I71 Y73E45-G47 VanDerWaalsContact C-N 3.33Å; E45-I71 HydrophobicContact CG-CB 3.98Å; E45-I71 HydrophobicContact CG-CG2 4.07Å; E45-Y73 HydrophobicContact CG-CE2 4.42Å
46T96.3Very high96.8Very high93 Ų9353.2 Ų53.257%0.57127%0.272SS*.THydrogen-bonded Turntrans-90.91.4176.367.30000112.8D44 T48D44-T46 PolarHBondContact O-N 2.76Å; D44-T46 PolarHBondContact OD1-N 2.81Å; D44-T46 PolarHBondContact OD1-OG1 3.47Å; T46-T48 PolarHBondContact OG1-OG1 2.91Å; T46-T48 VanDerWaalsContact OG1-OG1 3.11Å
47G97Very high96.9Very high0 Ų048.4 Ų48.40%026%0.257CS..  trans81.813.6-177.700000114.6D44 E45 M49 L108 Q111D44-G47 PolarHBondContact O-N 3.24Å; D44-G47 PolarHBondContact OD1-N 2.8Å; E45-G47 VanDerWaalsContact C-N 3.33Å; G47-M49 PolarHBondContact O-N 3.42Å; G47-L108 WeakPolarHBondContact O-CD2 3.44Å; G47-Q111 PolarHBondContact O-NE2 2.67Å
48T98.1Very high97Very high62 Ų6245.7 Ų45.738%0.3824%0.242SC..  trans-76.4111.5176.9-53.40000110.6C43 D44 T46C43-T48 WeakPolarHBondContact CA-O 3.22Å; D44-T48 PolarHBondContact N-O 3.12Å; D44-T48 WeakPolarHBondContact OD1-CA 3.38Å; D44-T48 VanDerWaalsContact OD1-CB 3.25Å; D44-T48 WeakPolarHBondContact OD1-CB 3.36Å; D44-T48 PolarHBondContact OD1-N 3.45Å; D44-T48 WeakPolarHBondContact OD2-CB 3.44Å; T46-T48 PolarHBondContact OG1-OG1 2.91Å; T46-T48 VanDerWaalsContact OG1-OG1 3.11Å
49M97.9Very high97.1Very high11 Ų1147.9 Ų47.95%0.05427%0.267CS..BIsolated β-bridgetrans-65.2143.2178.7-67.2-75.2-79.100111.6D41 C43 G47 L51 F53 C75 V77 V93 L108 Q111D41-M49 HydrophobicContact CB-CE 3.56Å; D41-M49 WeakPolarHBondContact OD2-CE 3.14Å; C43-M49 HydrophobicContact CB-CG 4.47Å; C43-M49 HydrophobicContact CB-SD 3.89Å; G47-M49 PolarHBondContact O-N 3.42Å; M49-L51 HydrophobicContact CB-CD2 3.8Å; M49-L51 HydrophobicContact CB-CG 4.31Å; M49-F53 HydrophobicContact CE-CE1 4.4Å; M49-C75 HydrophobicContact CE-CB 4.23Å; M49-C75 HydrophobicContact SD-CB 3.96Å; M49-V77 HydrophobicContact CE-CG2 4.16Å; M49-V93 HydrophobicContact CE-CG1 3.52Å; M49-V93 HydrophobicContact CE-CG2 4.23Å; M49-V93 HydrophobicContact CG-CG1 4.48Å; M49-V93 HydrophobicContact SD-CG1 3.59Å; M49-V93 VanDerWaalsContact SD-CG1 3.59Å; M49-L108 HydrophobicContact CG-CD2 3.88Å; M49-L108 HydrophobicContact SD-CD2 3.65Å; M49-Q111 VanDerWaalsContact CB-OE1 3.24Å; M49-Q111 VanDerWaalsContact CG-OE1 3.27Å
50K98Very high97.1Very high44 Ų4447.8 Ų47.819%0.19127%0.265CS..  trans-89.8-9.3178.1-57.9-49.6177.6-154.70113.6L42 D44 L52 L66 Y72L42-K50 HydrophobicContact CB-CG 4.43Å; L42-K50 WeakPolarHBondContact O-CG 3.41Å; L42-K50 PolarHBondContact O-N 2.92Å; D44-K50 IonicContact OD2-NZ 3.45Å; D44-K50 PolarHBondContact OD2-NZ 3.13Å; K50-L52 HydrophobicContact CB-CD1 4.42Å; K50-L52 HydrophobicContact CB-CD2 4.19Å; K50-L52 HydrophobicContact CB-CG 3.88Å; K50-L52 PolarHBondContact O-N 3.13Å; K50-L52 VanDerWaalsContact O-N 3.14Å; K50-L66 HydrophobicContact CB-CD2 4.33Å; K50-L66 HydrophobicContact CG-CD2 3.83Å; K50-Y72 HydrophobicContact CD-CE1 4.31Å; K50-Y72 HydrophobicContact CG-CD1 4.42Å; K50-Y72 HydrophobicContact CG-CE1 4.19Å
51L97.7Very high97.1Very high67 Ų6754.4 Ų54.435%0.35129%0.291SS..  trans5431.7176.1-53.7-179.9000112.3D41 M49 F53 L54 L115D41-L51 WeakPolarHBondContact OD2-CA 3.22Å; D41-L51 PolarHBondContact OD2-N 3.21Å; M49-L51 HydrophobicContact CB-CD2 3.8Å; M49-L51 HydrophobicContact CB-CG 4.31Å; L51-F53 HydrophobicContact CD2-CE1 3.91Å; L51-F53 PolarHBondContact O-N 2.94Å; L51-L54 HydrophobicContact CB-CD1 4.43Å; L51-L54 HydrophobicContact CD2-CD1 4.41Å; L51-L54 WeakPolarHBondContact O-CB 3.42Å; L51-L54 PolarHBondContact O-N 3.04Å; L51-L115 HydrophobicContact CD2-CD1 4.17Å; L51-L115 HydrophobicContact CD2-CD2 4.24Å
52L97.9Very high97.1Very high4 Ų454.4 Ų54.42%0.02129%0.291CS..G310 helixtrans-63.8-33.4-177.8-59.5179.7000111.1V21 L24 L25 D41 L42 K50 L54 S55 F65 L66V21-L52 HydrophobicContact CG1-CB 3.8Å; V21-L52 HydrophobicContact CG1-CD2 4.33Å; V21-L52 HydrophobicContact CG1-CG 4.48Å; V21-L52 HydrophobicContact CG2-CD2 4.25Å; L24-L52 HydrophobicContact CD2-CD1 4.24Å; L25-L52 HydrophobicContact CD1-CB 4.04Å; L25-L52 HydrophobicContact CD2-CB 4.28Å; L25-L52 HydrophobicContact CD2-CD1 4.19Å; L25-L52 HydrophobicContact CG-CB 4.47Å; D41-L52 WeakPolarHBondContact OD1-CB 3.22Å; D41-L52 WeakPolarHBondContact OD1-CG 3.37Å; D41-L52 PolarHBondContact OD1-N 2.87Å; L42-L52 HydrophobicContact CD1-CD1 4.25Å; L42-L52 HydrophobicContact CG-CD1 4.32Å; K50-L52 HydrophobicContact CB-CD1 4.42Å; K50-L52 HydrophobicContact CB-CD2 4.19Å; K50-L52 HydrophobicContact CB-CG 3.88Å; K50-L52 PolarHBondContact O-N 3.13Å; K50-L52 VanDerWaalsContact O-N 3.14Å; L52-L54 PolarHBondContact O-N 3.07Å; L52-S55 WeakPolarHBondContact O-CB 3.39Å; L52-S55 PolarHBondContact O-N 3.43Å; L52-F65 HydrophobicContact CD2-CB 3.51Å; L52-F65 HydrophobicContact CD2-CD1 4.32Å; L52-F65 HydrophobicContact CD2-CD2 4.01Å; L52-F65 HydrophobicContact CD2-CG 3.7Å; L52-L66 HydrophobicContact CD1-CD1 4.4Å; L52-L66 HydrophobicContact CD1-CD2 4.44Å
53F96.4Very high97.1Very high39 Ų3956.2 Ų56.217%0.17130%0.303CS..G310 helixtrans-65.5-16.6175.779.5-82.7000113.8T39 D41 M49 L51 V77 Y90 L115T39-F53 HydrophobicContact CG2-CB 3.99Å; T39-F53 HydrophobicContact CG2-CD2 3.9Å; T39-F53 HydrophobicContact CG2-CG 4.12Å; D41-F53 HydrophobicContact CB-CD1 3.7Å; D41-F53 HydrophobicContact CB-CE1 4.34Å; D41-F53 WeakPolarHBondContact OD2-CD1 3.46Å; M49-F53 HydrophobicContact CE-CE1 4.4Å; L51-F53 HydrophobicContact CD2-CE1 3.91Å; L51-F53 PolarHBondContact O-N 2.94Å; F53-V77 HydrophobicContact CD1-CG2 4.21Å; F53-V77 HydrophobicContact CE1-CG2 4.1Å; F53-V77 HydrophobicContact CE2-CG1 4.31Å; F53-V77 HydrophobicContact CZ-CG1 4.31Å; F53-V77 HydrophobicContact CZ-CG2 4.33Å; F53-Y90 AromaticContact CE2-CE1 3.71Å; F53-Y90 HydrophobicContact CE2-CE1 3.71Å; F53-Y90 AromaticContact CZ-CE1 3.87Å; F53-Y90 HydrophobicContact CZ-CE1 3.87Å; F53-L115 HydrophobicContact CZ-CD1 4.33Å
54L95.9Very high97Very high73 Ų7362.4 Ų62.438%0.38233%0.33SS..G310 helixtrans-97.9-1174-63.6179.8000112.9L51 L52 K56 Y90 L115L51-L54 HydrophobicContact CB-CD1 4.43Å; L51-L54 HydrophobicContact CD2-CD1 4.41Å; L51-L54 WeakPolarHBondContact O-CB 3.42Å; L51-L54 PolarHBondContact O-N 3.04Å; L52-L54 PolarHBondContact O-N 3.07Å; L54-K56 PolarHBondContact O-N 3.01Å; L54-Y90 WeakPolarHBondContact CD2-OH 3.2Å; L54-L115 HydrophobicContact CD1-CD2 4.16Å
55S94.4Very high96.9Very high27 Ų2764.5 Ų64.519%0.18934%0.338CS..  trans-58.9124-177.3-178.80000110.7L52 T57L52-S55 WeakPolarHBondContact O-CB 3.39Å; L52-S55 PolarHBondContact O-N 3.43Å; S55-T57 PolarHBondContact O-N 3.41Å; S55-T57 VanDerWaalsContact OG-C 3.31Å; S55-T57 PolarHBondContact OG-N 2.85Å; S55-T57 PolarHBondContact OG-O 2.82Å
56K95.8Very high97Very high205 Ų20559.5 Ų59.589%0.89132%0.315SS*.SBendtrans-74-14.9172.1-62.3-178.5-177.7176.90111.9L54 P58L54-K56 PolarHBondContact O-N 3.01Å; K56-P58 WeakPolarHBondContact O-CD 3.17Å
57T95.4Very high97.1Very high70 Ų7059.4 Ų59.443%0.42931%0.314SS..  trans-124.363.3-17852.80000110.2S55 G59 D60S55-T57 PolarHBondContact O-N 3.41Å; S55-T57 VanDerWaalsContact OG-C 3.31Å; S55-T57 PolarHBondContact OG-N 2.85Å; S55-T57 PolarHBondContact OG-O 2.82Å; T57-G59 PolarHBondContact O-N 2.87Å; T57-D60 WeakPolarHBondContact CB-OD2 3.47Å; T57-D60 VanDerWaalsContact O-CB 3.29Å; T57-D60 WeakPolarHBondContact O-CB 3.49Å; T57-D60 PolarHBondContact O-N 3.09Å; T57-D60 PolarHBondContact OG1-OD2 3.03Å
58P95.5Very high97.1Very high56 Ų5660.6 Ų60.636%0.36432%0.324SS..THydrogen-bonded Turntrans-65.8-11.9-176.130.3-37.8000113.5V21 L22 K56V21-P58 PolarHBondContact N-O 3.46Å; L22-P58 HydrophobicContact CB-CB 4.23Å; L22-P58 WeakPolarHBondContact CB-O 3.32Å; L22-P58 PolarHBondContact N-O 2.92Å; K56-P58 WeakPolarHBondContact O-CD 3.17Å
59G97.8Very high97Very high60 Ų6067.6 Ų67.662%0.61934%0.343SS*.THydrogen-bonded Turntrans-77.8-15.1171.200000114.5S20 T57S20-G59 VanDerWaalsContact CB-O 3.32Å; S20-G59 WeakPolarHBondContact CB-O 3.2Å; T57-G59 PolarHBondContact O-N 2.87Å
60D98Very high97Very high45 Ų4568.8 Ų68.824%0.24135%0.353CS..SBendtrans-64.8150.2177.5-84.6-32.8000112S20 V21 T57 A62 K64 F65S20-D60 CarbonylContact C-O 3.56Å; S20-D60 VanDerWaalsContact CA-O 3.22Å; S20-D60 WeakPolarHBondContact CA-O 3.45Å; V21-D60 PolarHBondContact N-O 2.78Å; T57-D60 WeakPolarHBondContact CB-OD2 3.47Å; T57-D60 VanDerWaalsContact O-CB 3.29Å; T57-D60 WeakPolarHBondContact O-CB 3.49Å; T57-D60 PolarHBondContact O-N 3.09Å; T57-D60 PolarHBondContact OG1-OD2 3.03Å; D60-A62 PolarHBondContact O-N 3.44Å; D60-K64 HydrophobicContact CB-CD 4.12Å; D60-K64 IonicContact OD1-NZ 2.8Å; D60-K64 PolarHBondContact OD1-NZ 3.19Å; D60-K64 IonicContact OD2-NZ 2.81Å; D60-K64 PolarHBondContact OD2-NZ 3.04Å; D60-F65 HydrophobicContact CB-CE2 4.24Å
61Y98.3Very high97Very high143 Ų14368.2 Ų68.256%0.56135%0.352SS*.BIsolated β-bridgetrans-59.1132.9173.2-64.9-46.9000111.6N18 C19 S63 K64N18-Y61 WeakPolarHBondContact O-CD1 3.32Å; N18-Y61 WeakPolarHBondContact O-CE1 3.32Å; C19-Y61 WeakPolarHBondContact O-CA 3.43Å; Y61-S63 PolarHBondContact O-N 2.87Å; Y61-K64 WeakPolarHBondContact O-CB 3.46Å; Y61-K64 PolarHBondContact O-N 3.44Å; Y61-K64 VanDerWaalsContact O-N 3.13Å
62A98.1Very high97Very high0 Ų065.2 Ų65.20%034%0.336CS..G310 helixtrans-65.3-22.1179.700000112.7T17 C19 V21 L24 D60 K64 F65 L66T17-A62 PolarHBondContact O-N 3.08Å; C19-A62 PolarHBondContact O-N 3.4Å; V21-A62 HydrophobicContact CG2-CB 4.24Å; L24-A62 HydrophobicContact CB-CB 4.37Å; L24-A62 HydrophobicContact CD1-CB 3.61Å; D60-A62 PolarHBondContact O-N 3.44Å; A62-K64 PolarHBondContact O-N 3.17Å; A62-K64 VanDerWaalsContact O-N 3.13Å; A62-F65 PolarHBondContact O-N 2.81Å; A62-L66 HydrophobicContact CB-CD1 3.95Å; A62-L66 PolarHBondContact O-N 2.94Å
63S97.7Very high97Very high38 Ų3866.7 Ų66.727%0.26634%0.341SS..G310 helixtrans-60.6-16.7173.657.80000114T17 Y61 F65T17-S63 PolarHBondContact O-N 3.35Å; Y61-S63 PolarHBondContact O-N 2.87Å; S63-F65 PolarHBondContact O-N 3.27Å
64K96.8Very high97.1Very high131 Ų13164.9 Ų64.957%0.5733%0.333SS*.G310 helixtrans-69.2-22.5170.6-65.5-175.6-178.6178.40113.1D60 Y61 A62D60-K64 HydrophobicContact CB-CD 4.12Å; D60-K64 IonicContact OD1-NZ 2.8Å; D60-K64 PolarHBondContact OD1-NZ 3.19Å; D60-K64 IonicContact OD2-NZ 2.81Å; D60-K64 PolarHBondContact OD2-NZ 3.04Å; Y61-K64 WeakPolarHBondContact O-CB 3.46Å; Y61-K64 PolarHBondContact O-N 3.44Å; Y61-K64 VanDerWaalsContact O-N 3.13Å; A62-K64 PolarHBondContact O-N 3.17Å; A62-K64 VanDerWaalsContact O-N 3.13Å
65F96.7Very high97.2Very high77 Ų7761.4 Ų61.434%0.33832%0.315SS..THydrogen-bonded Turntrans-118-17.5-171.9-53.1-82.9000112.9V21 L52 D60 A62 S63V21-F65 HydrophobicContact CG2-CD2 3.7Å; V21-F65 HydrophobicContact CG2-CE2 3.67Å; L52-F65 HydrophobicContact CD2-CB 3.51Å; L52-F65 HydrophobicContact CD2-CD1 4.32Å; L52-F65 HydrophobicContact CD2-CD2 4.01Å; L52-F65 HydrophobicContact CD2-CG 3.7Å; D60-F65 HydrophobicContact CB-CE2 4.24Å; A62-F65 PolarHBondContact O-N 2.81Å; S63-F65 PolarHBondContact O-N 3.27Å
66L97.8Very high97.4Very high5 Ų562.7 Ų62.73%0.02632%0.317CS..SBendtrans-120.9128.2-171.9-59.4171.6000110.3I3 T17 L24 L42 K50 L52 A62 Y72I3-L66 HydrophobicContact CD1-CD1 3.85Å; I3-L66 HydrophobicContact CG2-CB 4.37Å; T17-L66 HydrophobicContact CG2-CB 4.06Å; T17-L66 HydrophobicContact CG2-CD1 4.02Å; L24-L66 HydrophobicContact CD1-CD1 3.67Å; L24-L66 HydrophobicContact CD2-CD1 4.5Å; L42-L66 HydrophobicContact CD1-CD1 4.13Å; L42-L66 HydrophobicContact CD1-CD2 4.1Å; K50-L66 HydrophobicContact CB-CD2 4.33Å; K50-L66 HydrophobicContact CG-CD2 3.83Å; L52-L66 HydrophobicContact CD1-CD1 4.4Å; L52-L66 HydrophobicContact CD1-CD2 4.44Å; A62-L66 HydrophobicContact CB-CD1 3.95Å; A62-L66 PolarHBondContact O-N 2.94Å; L66-Y72 HydrophobicContact CB-CE2 4.21Å; L66-Y72 HydrophobicContact CD2-CD1 4.24Å; L66-Y72 HydrophobicContact CD2-CD2 4.34Å; L66-Y72 HydrophobicContact CD2-CE1 3.96Å; L66-Y72 HydrophobicContact CD2-CE2 3.97Å; L66-Y72 HydrophobicContact CD2-CG 4.44Å
67T97.6Very high97.5Very high90 Ų9053.2 Ų53.255%0.55228%0.277SS*.  trans-75.3130.5176.5-55.30000109.5I3 S70 Y72I3-T67 WeakPolarHBondContact CG2-O 3.22Å; T67-S70 WeakPolarHBondContact CB-OG 3.38Å; T67-S70 WeakPolarHBondContact CG2-OG 3.33Å; T67-S70 WeakPolarHBondContact O-CB 3.06Å; T67-S70 PolarHBondContact O-N 3.14Å; T67-Y72 PolarHBondContact N-OH 2.99Å
68A97.1Very high97.6Very high25 Ų2553.6 Ų53.621%0.20727%0.274CS..THydrogen-bonded Turntrans-59.7142.9178.400000112.2M1 S70M1-A68 HydrophobicContact CE-CB 3.86Å; M1-A68 HydrophobicContact CG-CB 3.3Å; M1-A68 HydrophobicContact SD-CB 3.32Å; M1-A68 WeakPolarHBondContact SD-CB 3.14Å; A68-S70 PolarHBondContact O-N 2.66Å; A68-S70 VanDerWaalsContact O-N 3.07Å
69R96.3Very high97.7Very high209 Ų20954.6 Ų54.679%0.78927%0.27SS*.THydrogen-bonded Turntrans62.74.3177.9-49.8179.7-179.195.3-3.4114.8F2F2-R69 PolarHBondContact O-N 3.3Å
70S97.8Very high97.6Very high37 Ų3752.1 Ų52.126%0.25925%0.245SC..  trans-79.5160.4174.2-60.50000112.2F4 T67 A68F4-S70 PolarHBondContact N-O 3.3Å; T67-S70 WeakPolarHBondContact CB-OG 3.38Å; T67-S70 WeakPolarHBondContact CG2-OG 3.33Å; T67-S70 WeakPolarHBondContact O-CB 3.06Å; T67-S70 PolarHBondContact O-N 3.14Å; A68-S70 PolarHBondContact O-N 2.66Å; A68-S70 VanDerWaalsContact O-N 3.07Å
71I97.7Very high97.4Very high32 Ų3252.7 Ų52.716%0.16426%0.256CS..EExtended strand (participates in β ladder)trans-94.3138174.5-65.8162.6000109.2F4 K6 E45 Y73F4-I71 HydrophobicContact CB-CG1 4.1Å; K6-I71 HydrophobicContact CB-CG2 4.34Å; K6-I71 HydrophobicContact CD-CG2 3.72Å; K6-I71 HydrophobicContact CG-CG2 3.95Å; E45-I71 HydrophobicContact CG-CB 3.98Å; E45-I71 HydrophobicContact CG-CG2 4.07Å; I71-Y73 HydrophobicContact CG2-CE1 4.05Å
72Y98.4Very high97.2Very high3 Ų351.3 Ų51.31%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-131.9149.4174.1-65.7-75.9000110.8I3 F4 I5 K6 L42 C43 D44 K50 L66 T67I3-Y72 HydrophobicContact CB-CD2 3.93Å; I3-Y72 HydrophobicContact CB-CE2 4.07Å; I3-Y72 HydrophobicContact CD1-CD2 3.52Å; I3-Y72 HydrophobicContact CD1-CE2 4.09Å; I3-Y72 HydrophobicContact CD1-CG 4.34Å; I3-Y72 HydrophobicContact CG1-CD2 4.34Å; I3-Y72 HydrophobicContact CG2-CD2 4.13Å; I3-Y72 HydrophobicContact CG2-CE2 3.73Å; F4-Y72 PolarHBondContact O-N 2.84Å; I5-Y72 CarbonylContact C-O 3.5Å; I5-Y72 WeakPolarHBondContact CA-O 3.27Å; K6-Y72 PolarHBondContact N-O 3.19Å; L42-Y72 HydrophobicContact CB-CD1 4.44Å; L42-Y72 HydrophobicContact CD1-CG 4.46Å; C43-Y72 CarbonylContact O-C 3.5Å; C43-Y72 VanDerWaalsContact O-CA 3.22Å; C43-Y72 WeakPolarHBondContact O-CA 3.32Å; C43-Y72 WeakPolarHBondContact O-CD1 3.45Å; D44-Y72 HydrophobicContact CB-CD1 4.12Å; D44-Y72 HydrophobicContact CB-CE1 3.89Å; K50-Y72 HydrophobicContact CD-CE1 4.31Å; K50-Y72 HydrophobicContact CG-CD1 4.42Å; K50-Y72 HydrophobicContact CG-CE1 4.19Å; L66-Y72 HydrophobicContact CB-CE2 4.21Å; L66-Y72 HydrophobicContact CD2-CD1 4.24Å; L66-Y72 HydrophobicContact CD2-CD2 4.34Å; L66-Y72 HydrophobicContact CD2-CE1 3.96Å; L66-Y72 HydrophobicContact CD2-CE2 3.97Å; L66-Y72 HydrophobicContact CD2-CG 4.44Å; T67-Y72 PolarHBondContact N-OH 2.99Å
73Y98.2Very high96.9Very high36 Ų3654.8 Ų54.814%0.14130%0.3CS..EExtended strand (participates in β ladder)trans-106.9144.4172.4-51.4-56.8000110.4K6 L42 C43 E45 I71 L97 L104K6-Y73 HydrophobicContact CB-CD1 3.72Å; K6-Y73 HydrophobicContact CB-CE1 3.7Å; K6-Y73 HydrophobicContact CD-CE1 4.17Å; K6-Y73 HydrophobicContact CG-CE1 4.5Å; L42-Y73 WeakPolarHBondContact CA-O 3.29Å; C43-Y73 PolarHBondContact N-O 2.87Å; C43-Y73 PolarHBondContact O-N 3.23Å; E45-Y73 HydrophobicContact CG-CE2 4.42Å; I71-Y73 HydrophobicContact CG2-CE1 4.05Å; Y73-L97 HydrophobicContact CD1-CD1 3.8Å; Y73-L97 HydrophobicContact CD1-CD2 3.79Å; Y73-L97 HydrophobicContact CD1-CG 4.26Å; Y73-L97 HydrophobicContact CD2-CD1 4.15Å; Y73-L97 HydrophobicContact CE1-CD1 4.13Å; Y73-L97 HydrophobicContact CE1-CD2 4.23Å; Y73-L97 HydrophobicContact CE2-CD1 4.42Å; Y73-L97 HydrophobicContact CG-CD1 3.82Å; Y73-L97 HydrophobicContact CG-CD2 4.46Å; Y73-L97 HydrophobicContact CG-CG 4.48Å; Y73-L104 HydrophobicContact CD2-CD1 4.35Å; Y73-L104 HydrophobicContact CD2-CD2 3.83Å; Y73-L104 HydrophobicContact CE2-CD2 3.93Å
74V97.8Very high96.8Very high0 Ų055.8 Ų55.80%031%0.305CS..EExtended strand (participates in β ladder)trans-78.8124.5173.2-173.10000109I5 T28 M32 I40 L42 L96I5-V74 HydrophobicContact CG2-CG2 3.35Å; T28-V74 HydrophobicContact CG2-CG1 4.09Å; T28-V74 HydrophobicContact CG2-CG2 3.61Å; M32-V74 HydrophobicContact CE-CB 4.44Å; M32-V74 HydrophobicContact CE-CG2 4.47Å; M32-V74 HydrophobicContact CG-CG1 4.42Å; M32-V74 HydrophobicContact CG-CG2 4.14Å; M32-V74 HydrophobicContact SD-CG2 4.2Å; I40-V74 HydrophobicContact CB-CG1 4.31Å; I40-V74 HydrophobicContact CD1-CG1 4.08Å; I40-V74 HydrophobicContact CG2-CG1 4.44Å; L42-V74 HydrophobicContact CD2-CG2 4.21Å; V74-L96 HydrophobicContact CB-CB 4.47Å; V74-L96 HydrophobicContact CB-CD1 4.33Å; V74-L96 HydrophobicContact CG1-CD1 3.87Å; V74-L96 HydrophobicContact CG1-CG 4.5Å; V74-L96 PolarHBondContact O-N 2.9Å
75C98.1Very high96.6Very high0 Ų060 Ų600%032%0.323CS..EExtended strand (participates in β ladder)trans-110.7131.5173.1-65.80000110.3I40 D41 C43 M49 V93 V94I40-C75 CarbonylContact C-O 3.52Å; I40-C75 WeakPolarHBondContact CA-O 3.45Å; I40-C75 WeakPolarHBondContact CB-O 3.17Å; D41-C75 PolarHBondContact N-O 3.16Å; D41-C75 PolarHBondContact O-N 3.01Å; C43-C75 PolarHBondContact SG-SG 2.92Å; M49-C75 HydrophobicContact CE-CB 4.23Å; M49-C75 HydrophobicContact SD-CB 3.96Å; C75-V93 HydrophobicContact CB-CG1 3.73Å; C75-V94 CarbonylContact C-O 3.54Å; C75-V94 WeakPolarHBondContact CA-O 3.32Å
76K97.9Very high96.5Very high54 Ų5460.1 Ų60.124%0.23533%0.326CS..EExtended strand (participates in β ladder)trans-84.5128.5166.9-173174.9179.3-173.50109.1E78 V93 V94 L96K76-E78 HydrophobicContact CG-CG 4.37Å; K76-V93 WeakPolarHBondContact O-CA 3.45Å; K76-V94 PolarHBondContact N-O 2.7Å; K76-V94 PolarHBondContact O-N 3.07Å; K76-L96 HydrophobicContact CB-CD2 4.2Å
77V98.3Very high96.3Very high6 Ų663.7 Ų63.74%0.03634%0.343CS..EExtended strand (participates in β ladder)trans-95.4109175.2-176.80000107.7T39 D41 M49 F53 Y90T39-V77 HydrophobicContact CG2-CB 3.87Å; T39-V77 HydrophobicContact CG2-CG1 4.46Å; T39-V77 HydrophobicContact CG2-CG2 4.31Å; T39-V77 PolarHBondContact O-N 2.87Å; D41-V77 HydrophobicContact CB-CG2 4.3Å; M49-V77 HydrophobicContact CE-CG2 4.16Å; F53-V77 HydrophobicContact CD1-CG2 4.21Å; F53-V77 HydrophobicContact CE1-CG2 4.1Å; F53-V77 HydrophobicContact CE2-CG1 4.31Å; F53-V77 HydrophobicContact CZ-CG1 4.31Å; F53-V77 HydrophobicContact CZ-CG2 4.33Å; V77-Y90 HydrophobicContact CG1-CD1 3.93Å; V77-Y90 HydrophobicContact CG1-CE1 4.18Å
78E97.8Very high96.2Very high79 Ų7964.1 Ų64.137%0.36934%0.342SS..EExtended strand (participates in β ladder)trans-89.1126.2179.8-58-162.3146.900110.2K76 K91 A92 V94K76-E78 HydrophobicContact CG-CG 4.37Å; E78-K91 HydrophobicContact CB-CB 4.48Å; E78-K91 PolarHBondContact O-N 2.94Å; E78-A92 HydrophobicContact CB-CB 4.17Å; E78-A92 HydrophobicContact CG-CB 4.44Å; E78-A92 PolarHBondContact N-O 3.36Å; E78-A92 PolarHBondContact O-N 3.01Å; E78-V94 HydrophobicContact CG-CG2 4.28Å
79R97.1Very high96.2Very high77 Ų7763.2 Ų63.229%0.29133%0.334SS..EExtended strand (participates in β ladder)trans-110167.7179.8-75.2-168.2-179.1-80.81.6110.7E87 N88 S89 Y90R79-E87 WeakPolarHBondContact CB-O 3.4Å; R79-N88 PolarHBondContact NH1-O 3.37Å; R79-S89 VanDerWaalsContact CA-O 3.25Å; R79-S89 WeakPolarHBondContact CA-O 3.25Å; R79-Y90 VanDerWaalsContact NH2-CE1 3.26Å; R79-Y90 PolarHBondContact NH2-OH 2.91Å
80G95.9Very high96.3Very high8 Ų854.6 Ų54.68%0.08230%0.302CS..PPolyproline II helixtrans-62.3163.6172.300000112.3I86 E87 S89G80-I86 VanDerWaalsContact CA-O 3.3Å; G80-I86 WeakPolarHBondContact CA-O 3.43Å; G80-E87 PolarHBondContact N-O 2.8Å; G80-S89 PolarHBondContact N-O 3.28Å; G80-S89 VanDerWaalsContact N-O 3.17Å
81A93.6Very high96.3Very high57 Ų5758.5 Ų58.547%0.47131%0.314SS..PPolyproline II helixtrans-58.7136.3-17800000111.4T84A81-T84 HydrophobicContact CB-CG2 3.85Å; A81-T84 WeakPolarHBondContact O-CB 3.47Å; A81-T84 WeakPolarHBondContact O-CG2 3.35Å; A81-T84 PolarHBondContact O-N 2.88Å; A81-T84 PolarHBondContact O-OG1 2.81Å
82P93.5Very high96.3Very high113 Ų11358.4 Ų58.473%0.73432%0.318SS*.THydrogen-bonded Turntrans-54.4140.4176.5-26.234.6000112.4T84P82-T84 VanDerWaalsContact C-N 3.27Å; P82-T84 PolarHBondContact O-N 2.82Å
83G93.6Very high96.3Very high74 Ų7458.8 Ų58.876%0.76332%0.321SS*.THydrogen-bonded Turntrans78.73.517900000115E87G83-E87 PolarHBondContact N-OE2 3.34Å
84T95.1Very high96.3Very high59 Ų5959.7 Ų59.736%0.36233%0.33SS..SBendtrans-99.9161.1176.571.10000111.9A81 P82 I86 E87A81-T84 HydrophobicContact CB-CG2 3.85Å; A81-T84 WeakPolarHBondContact O-CB 3.47Å; A81-T84 WeakPolarHBondContact O-CG2 3.35Å; A81-T84 PolarHBondContact O-N 2.88Å; A81-T84 PolarHBondContact O-OG1 2.81Å; P82-T84 VanDerWaalsContact C-N 3.27Å; P82-T84 PolarHBondContact O-N 2.82Å; T84-I86 PolarHBondContact O-N 3.11Å; T84-I86 VanDerWaalsContact OG1-CG1 3.23Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.27Å; T84-I86 PolarHBondContact OG1-N 2.93Å; T84-E87 WeakPolarHBondContact O-CB 3.36Å; T84-E87 PolarHBondContact O-N 2.98Å; T84-E87 PolarHBondContact OG1-N 2.88Å
85K92.6Very high96.3Very high219 Ų21960.3 Ų60.395%0.95233%0.334SS*.THydrogen-bonded Turntrans-58.1-19.2173.7-65.7-175.7179.2-179.80113.5
86I93.4Very high96.2Very high80 Ų8062.2 Ų62.241%0.4134%0.343SS..THydrogen-bonded Turntrans-107.210.3-178.461.8169.5000112.7G80 T84 N88 S89G80-I86 VanDerWaalsContact CA-O 3.3Å; G80-I86 WeakPolarHBondContact CA-O 3.43Å; T84-I86 PolarHBondContact O-N 3.11Å; T84-I86 VanDerWaalsContact OG1-CG1 3.23Å; T84-I86 WeakPolarHBondContact OG1-CG1 3.27Å; T84-I86 PolarHBondContact OG1-N 2.93Å; I86-N88 PolarHBondContact O-N 3.31Å; I86-N88 VanDerWaalsContact O-N 3.1Å; I86-S89 VanDerWaalsContact O-CB 3.24Å; I86-S89 WeakPolarHBondContact O-CB 3.25Å; I86-S89 PolarHBondContact O-N 3.19Å
87E95.1Very high96.1Very high80 Ų8061.1 Ų61.137%0.37434%0.34SS..THydrogen-bonded Turntrans-49.8-40.1-179.7175.6172.9-179.100112.1R79 G80 G83 T84R79-E87 WeakPolarHBondContact CB-O 3.4Å; G80-E87 PolarHBondContact N-O 2.8Å; G83-E87 PolarHBondContact N-OE2 3.34Å; T84-E87 WeakPolarHBondContact O-CB 3.36Å; T84-E87 PolarHBondContact O-N 2.98Å; T84-E87 PolarHBondContact OG1-N 2.88Å
88N95Very high95.9Very high99 Ų9966.6 Ų66.653%0.52936%0.363SS..THydrogen-bonded Turntrans-86.9-0.5-179.7-68.1-55.5000114.6R79 I86 R119R79-N88 PolarHBondContact NH1-O 3.37Å; I86-N88 PolarHBondContact O-N 3.31Å; I86-N88 VanDerWaalsContact O-N 3.1Å; N88-R119 WeakPolarHBondContact O-CD 3.5Å
89S97.4Very high95.7Very high6 Ų669.2 Ų69.24%0.04238%0.38CS..SBendtrans-67.5138175.9-77.30000111.2R79 G80 I86 E116 R119R79-S89 VanDerWaalsContact CA-O 3.25Å; R79-S89 WeakPolarHBondContact CA-O 3.25Å; G80-S89 PolarHBondContact N-O 3.28Å; G80-S89 VanDerWaalsContact N-O 3.17Å; I86-S89 VanDerWaalsContact O-CB 3.24Å; I86-S89 WeakPolarHBondContact O-CB 3.25Å; I86-S89 PolarHBondContact O-N 3.19Å; S89-E116 VanDerWaalsContact CA-OE2 3.3Å; S89-E116 WeakPolarHBondContact CA-OE2 3.47Å; S89-E116 WeakPolarHBondContact CB-OE1 3.33Å; S89-E116 PolarHBondContact OG-OE1 2.74Å; S89-R119 PolarHBondContact OG-NH2 3.04Å
90Y98.2Very high95.6Very high28 Ų2867.7 Ų67.711%0.1138%0.38CS..EExtended strand (participates in β ladder)trans-77.4122.6167.3-59.6-77.6000108.8F53 L54 V77 R79 L115 E116 R119F53-Y90 AromaticContact CE2-CE1 3.71Å; F53-Y90 HydrophobicContact CE2-CE1 3.71Å; F53-Y90 AromaticContact CZ-CE1 3.87Å; F53-Y90 HydrophobicContact CZ-CE1 3.87Å; L54-Y90 WeakPolarHBondContact CD2-OH 3.2Å; V77-Y90 HydrophobicContact CG1-CD1 3.93Å; V77-Y90 HydrophobicContact CG1-CE1 4.18Å; R79-Y90 VanDerWaalsContact NH2-CE1 3.26Å; R79-Y90 PolarHBondContact NH2-OH 2.91Å; Y90-L115 HydrophobicContact CD1-CB 4.5Å; Y90-L115 HydrophobicContact CD2-CB 3.72Å; Y90-L115 HydrophobicContact CE2-CB 3.97Å; Y90-L115 HydrophobicContact CG-CB 4.01Å; Y90-E116 PolarHBondContact N-OE2 3.48Å; Y90-R119 HydrophobicContact CE2-CB 4.24Å
91K97.9Very high95.5Very high119 Ų11973.8 Ų73.852%0.51741%0.406SS..EExtended strand (participates in β ladder)trans-105.5-44-177.8-66.9-60.5-171.11790112.1E78E78-K91 HydrophobicContact CB-CB 4.48Å; E78-K91 PolarHBondContact O-N 2.94Å
92A98Very high95.7Very high29 Ų2975.7 Ų75.724%0.2441%0.414CS..EExtended strand (participates in β ladder)trans-156.1157.317600000110.6E78 V94E78-A92 HydrophobicContact CB-CB 4.17Å; E78-A92 HydrophobicContact CG-CB 4.44Å; E78-A92 PolarHBondContact N-O 3.36Å; E78-A92 PolarHBondContact O-N 3.01Å; A92-V94 HydrophobicContact CB-CG2 3.88Å
93V98.4Very high95.9Very high12 Ų1277.7 Ų77.77%0.07341%0.413CS..EExtended strand (participates in β ladder)trans-120.5109.9163.7176.20000106.1M49 C75 K76 L108 C112M49-V93 HydrophobicContact CE-CG1 3.52Å; M49-V93 HydrophobicContact CE-CG2 4.23Å; M49-V93 HydrophobicContact CG-CG1 4.48Å; M49-V93 HydrophobicContact SD-CG1 3.59Å; M49-V93 VanDerWaalsContact SD-CG1 3.59Å; C75-V93 HydrophobicContact CB-CG1 3.73Å; K76-V93 WeakPolarHBondContact O-CA 3.45Å; V93-L108 HydrophobicContact CB-CB 4.37Å; V93-L108 HydrophobicContact CG1-CB 4.24Å; V93-L108 HydrophobicContact CG1-CD2 3.86Å; V93-L108 HydrophobicContact CG1-CG 4.44Å; V93-C112 HydrophobicContact CB-CB 4.33Å; V93-C112 HydrophobicContact CG2-CB 3.82Å
94V97.6Very high96.1Very high55 Ų5574.6 Ų74.633%0.33338%0.379SS..EExtended strand (participates in β ladder)trans-109.8115.7-169.8-175.70000109.3C75 K76 E78 A92C75-V94 CarbonylContact C-O 3.54Å; C75-V94 WeakPolarHBondContact CA-O 3.32Å; K76-V94 PolarHBondContact N-O 2.7Å; K76-V94 PolarHBondContact O-N 3.07Å; E78-V94 HydrophobicContact CG-CG2 4.28Å; A92-V94 HydrophobicContact CB-CG2 3.88Å
95P97.4Very high96.2Very high13 Ų1374.2 Ų74.28%0.08438%0.377CS..EExtended strand (participates in β ladder)trans-68.8133.5173.829.7-31.5000109.5L97 P100 L104 V105 L108P95-L97 HydrophobicContact CB-CD1 4.31Å; P95-L97 HydrophobicContact CB-CG 4.45Å; P95-L97 PolarHBondContact O-N 3.17Å; P95-P100 HydrophobicContact CG-CB 3.86Å; P95-P100 HydrophobicContact CG-CG 4.23Å; P95-L104 HydrophobicContact CB-CD2 4.45Å; P95-V105 HydrophobicContact CG-CG2 4.45Å; P95-L108 HydrophobicContact CB-CD1 3.83Å; P95-L108 HydrophobicContact CG-CD1 3.75Å
96L96.8Very high96.5Very high39 Ų3970 Ų7020%0.20436%0.36CS..  trans-85.860.2177.5-58.8-176000110.3H7 G8 M32 L34 V74 K76H7-L96 CarbonylContact C-O 3.57Å; H7-L96 WeakPolarHBondContact CA-O 3.33Å; G8-L96 PolarHBondContact N-O 3.47Å; M32-L96 HydrophobicContact CE-CB 3.86Å; M32-L96 HydrophobicContact CE-CD1 3.8Å; L34-L96 HydrophobicContact CD1-CD1 3.8Å; L34-L96 HydrophobicContact CD2-CD1 4.27Å; V74-L96 HydrophobicContact CB-CB 4.47Å; V74-L96 HydrophobicContact CB-CD1 4.33Å; V74-L96 HydrophobicContact CG1-CD1 3.87Å; V74-L96 HydrophobicContact CG1-CG 4.5Å; V74-L96 PolarHBondContact O-N 2.9Å; K76-L96 HydrophobicContact CB-CD2 4.2Å
97L95.6Very high96.8Very high31 Ų3168.2 Ų68.216%0.16236%0.355CS..BIsolated β-bridgetrans-117.4149.9176.6-64.9170.5000109.4Y73 P95 P100 L104Y73-L97 HydrophobicContact CD1-CD1 3.8Å; Y73-L97 HydrophobicContact CD1-CD2 3.79Å; Y73-L97 HydrophobicContact CD1-CG 4.26Å; Y73-L97 HydrophobicContact CD2-CD1 4.15Å; Y73-L97 HydrophobicContact CE1-CD1 4.13Å; Y73-L97 HydrophobicContact CE1-CD2 4.23Å; Y73-L97 HydrophobicContact CE2-CD1 4.42Å; Y73-L97 HydrophobicContact CG-CD1 3.82Å; Y73-L97 HydrophobicContact CG-CD2 4.46Å; Y73-L97 HydrophobicContact CG-CG 4.48Å; P95-L97 HydrophobicContact CB-CD1 4.31Å; P95-L97 HydrophobicContact CB-CG 4.45Å; P95-L97 PolarHBondContact O-N 3.17Å; L97-P100 HydrophobicContact CB-CB 4.18Å; L97-P100 HydrophobicContact CD1-CB 4.28Å; L97-L104 HydrophobicContact CD1-CD2 3.69Å
98K93.6Very high96.9Very high121 Ų12164.4 Ų64.453%0.52634%0.337SS..SBendtrans-68.3-46.9178-175.3175.8179.5-177.60111.4G8 D9G8-K98 WeakPolarHBondContact O-CB 3.23Å; G8-K98 PolarHBondContact O-N 3.17Å; D9-K98 HydrophobicContact CB-CD 3.96Å; D9-K98 WeakPolarHBondContact OD1-CD 3.4Å; D9-K98 IonicContact OD1-NZ 3.42Å; D9-K98 PolarHBondContact OD1-NZ 3.06Å; D9-K98 IonicContact OD2-NZ 2.66Å; D9-K98 PolarHBondContact OD2-NZ 3.45Å
99N93.3Very high97.1Very high135 Ų13567.4 Ų67.472%0.72234%0.341SS*.SBendtrans-132.179.8179.6-59.7-39.4000108.9
100P95Very high97.2Very high44 Ų4470.8 Ų70.829%0.28636%0.362SS..  trans-70.1139.6177.429.3-33.5000110.8P95 L97 L104 V105P95-P100 HydrophobicContact CG-CB 3.86Å; P95-P100 HydrophobicContact CG-CG 4.23Å; L97-P100 HydrophobicContact CB-CB 4.18Å; L97-P100 HydrophobicContact CD1-CB 4.28Å; P100-L104 HydrophobicContact CB-CD2 4.35Å; P100-V105 HydrophobicContact CB-CG2 3.8Å; P100-V105 HydrophobicContact CG-CG2 3.76Å
101E95.5Very high97.1Very high136 Ų13671.8 Ų71.864%0.63637%0.368SS*.  trans-58.6140.7173.7-68.6-57.2135.700111.2E103 L104 V105E101-E103 VanDerWaalsContact C-N 3.29Å; E101-E103 PolarHBondContact O-N 3.12Å; E101-L104 HydrophobicContact CB-CB 4.32Å; E101-L104 WeakPolarHBondContact O-CB 3.46Å; E101-L104 PolarHBondContact O-N 3.41Å; E101-L104 VanDerWaalsContact O-N 3.12Å; E101-V105 PolarHBondContact O-N 3.42Å; E101-V105 VanDerWaalsContact O-N 3.17Å
102P97.2Very high97.2Very high97 Ų9766.3 Ų66.363%0.6334%0.344SS*.Hα-helixtrans-56.3-40.6-178.9-27.135.3000113.6L104 V105 E106P102-L104 VanDerWaalsContact C-N 3.31Å; P102-L104 PolarHBondContact O-N 3.27Å; P102-V105 PolarHBondContact O-N 2.86Å; P102-E106 PolarHBondContact O-N 2.88Å
103E97.8Very high97.2Very high155 Ų15568.4 Ų68.472%0.72435%0.351SS*.Hα-helixtrans-63-37.3179.2-62.8-178.117900112.4E101 E106 S107E101-E103 VanDerWaalsContact C-N 3.29Å; E101-E103 PolarHBondContact O-N 3.12Å; E103-E106 PolarHBondContact O-N 2.7Å; E103-S107 WeakPolarHBondContact O-CB 3.32Å; E103-S107 PolarHBondContact O-N 3.43Å; E103-S107 PolarHBondContact O-OG 2.85Å
104L97.4Very high97.2Very high9 Ų973.7 Ų73.75%0.04737%0.374CS..Hα-helixtrans-63.5-47174.2171.962.7000110.3Y73 P95 L97 P100 E101 P102 E106 S107 L108Y73-L104 HydrophobicContact CD2-CD1 4.35Å; Y73-L104 HydrophobicContact CD2-CD2 3.83Å; Y73-L104 HydrophobicContact CE2-CD2 3.93Å; P95-L104 HydrophobicContact CB-CD2 4.45Å; L97-L104 HydrophobicContact CD1-CD2 3.69Å; P100-L104 HydrophobicContact CB-CD2 4.35Å; E101-L104 HydrophobicContact CB-CB 4.32Å; E101-L104 WeakPolarHBondContact O-CB 3.46Å; E101-L104 PolarHBondContact O-N 3.41Å; E101-L104 VanDerWaalsContact O-N 3.12Å; P102-L104 VanDerWaalsContact C-N 3.31Å; P102-L104 PolarHBondContact O-N 3.27Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.1Å; L104-S107 PolarHBondContact O-N 3.31Å; L104-L108 HydrophobicContact CD1-CD1 4.03Å; L104-L108 HydrophobicContact CD1-CG 4.23Å; L104-L108 HydrophobicContact CG-CD1 4.16Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.48Å; L104-L108 PolarHBondContact O-N 2.83Å
105V98.1Very high97.2Very high52 Ų5272.1 Ų72.132%0.31536%0.363SS..Hα-helixtrans-62.7-42179.1178.20000111.2P95 P100 E101 P102 L108 R109P95-V105 HydrophobicContact CG-CG2 4.45Å; P100-V105 HydrophobicContact CB-CG2 3.8Å; P100-V105 HydrophobicContact CG-CG2 3.76Å; E101-V105 PolarHBondContact O-N 3.42Å; E101-V105 VanDerWaalsContact O-N 3.17Å; P102-V105 PolarHBondContact O-N 2.86Å; V105-L108 PolarHBondContact O-N 3.05Å; V105-R109 WeakPolarHBondContact O-CB 3.47Å; V105-R109 PolarHBondContact O-N 2.92Å
106E98.4Very high97.2Very high129 Ų12972.9 Ų72.960%0.60337%0.366SS*.Hα-helixtrans-65-42.6177.3-175.7169.5-153.200112.3P102 E103 L104 L108 R109 T110P102-E106 PolarHBondContact O-N 2.88Å; E103-E106 PolarHBondContact O-N 2.7Å; L104-E106 VanDerWaalsContact C-N 3.34Å; L104-E106 PolarHBondContact O-N 3.1Å; E106-L108 PolarHBondContact O-N 3.45Å; E106-R109 PolarHBondContact O-N 3.44Å; E106-T110 WeakPolarHBondContact O-CB 3.3Å; E106-T110 PolarHBondContact O-N 3Å; E106-T110 PolarHBondContact O-OG1 3.3Å
107S98.6Very high97.3Very high43 Ų4377.9 Ų77.930%0.30138%0.382SS..Hα-helixtrans-61.4-43.2176.5-64.80000112E103 L104 T110 Q111E103-S107 WeakPolarHBondContact O-CB 3.32Å; E103-S107 PolarHBondContact O-N 3.43Å; E103-S107 PolarHBondContact O-OG 2.85Å; L104-S107 PolarHBondContact O-N 3.31Å; S107-T110 PolarHBondContact O-N 3.29Å; S107-Q111 WeakPolarHBondContact O-CG 3.33Å; S107-Q111 PolarHBondContact O-N 3.4Å
108L98.6Very high97.4Very high0 Ų078.7 Ų78.70%039%0.39CS..Hα-helixtrans-67.5-39.9176.9-67.6173.6000112.3C43 G47 M49 V93 P95 L104 V105 E106 Q111 C112C43-L108 HydrophobicContact CB-CD2 3.89Å; G47-L108 WeakPolarHBondContact O-CD2 3.44Å; M49-L108 HydrophobicContact CG-CD2 3.88Å; M49-L108 HydrophobicContact SD-CD2 3.65Å; V93-L108 HydrophobicContact CB-CB 4.37Å; V93-L108 HydrophobicContact CG1-CB 4.24Å; V93-L108 HydrophobicContact CG1-CD2 3.86Å; V93-L108 HydrophobicContact CG1-CG 4.44Å; P95-L108 HydrophobicContact CB-CD1 3.83Å; P95-L108 HydrophobicContact CG-CD1 3.75Å; L104-L108 HydrophobicContact CD1-CD1 4.03Å; L104-L108 HydrophobicContact CD1-CG 4.23Å; L104-L108 HydrophobicContact CG-CD1 4.16Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 3.48Å; L104-L108 PolarHBondContact O-N 2.83Å; V105-L108 PolarHBondContact O-N 3.05Å; E106-L108 PolarHBondContact O-N 3.45Å; L108-Q111 PolarHBondContact O-N 3.35Å; L108-C112 WeakPolarHBondContact O-CB 3.1Å; L108-C112 PolarHBondContact O-N 3.26Å
109R98.6Very high97.6Very high163 Ų16375 Ų7562%0.61537%0.373SS*.Hα-helixtrans-59.6-49.7173.7-178-172.4-62.9-87.60.8110.9V105 E106 Q111 C112 D113V105-R109 WeakPolarHBondContact O-CB 3.47Å; V105-R109 PolarHBondContact O-N 2.92Å; E106-R109 PolarHBondContact O-N 3.44Å; R109-Q111 VanDerWaalsContact C-N 3.31Å; R109-Q111 PolarHBondContact O-N 3.22Å; R109-C112 WeakPolarHBondContact O-CB 3.37Å; R109-C112 PolarHBondContact O-N 3.47Å; R109-C112 VanDerWaalsContact O-N 3.14Å; R109-D113 PolarHBondContact O-N 3.45Å
110T98.5Very high97.8Very high77 Ų7771.5 Ų71.547%0.47235%0.353SS..Hα-helixtrans-59.2-42.8-179.9-61.10000111.8E106 S107 D113 F114E106-T110 WeakPolarHBondContact O-CB 3.3Å; E106-T110 PolarHBondContact O-N 3Å; E106-T110 PolarHBondContact O-OG1 3.3Å; S107-T110 PolarHBondContact O-N 3.29Å; T110-D113 PolarHBondContact O-N 3.14Å; T110-F114 PolarHBondContact O-N 2.9Å
111Q97.9Very high97.9Very high49 Ų4976.6 Ų76.623%0.22937%0.371CS..Hα-helixtrans-67.6-39.5175.8-76.9175.758.800112.7G47 M49 S107 L108 R109 D113 F114 L115G47-Q111 PolarHBondContact O-NE2 2.67Å; M49-Q111 VanDerWaalsContact CB-OE1 3.24Å; M49-Q111 VanDerWaalsContact CG-OE1 3.27Å; S107-Q111 WeakPolarHBondContact O-CG 3.33Å; S107-Q111 PolarHBondContact O-N 3.4Å; L108-Q111 PolarHBondContact O-N 3.35Å; R109-Q111 VanDerWaalsContact C-N 3.31Å; R109-Q111 PolarHBondContact O-N 3.22Å; Q111-D113 VanDerWaalsContact C-N 3.34Å; Q111-D113 PolarHBondContact O-N 2.91Å; Q111-F114 PolarHBondContact O-N 3.42Å; Q111-L115 WeakPolarHBondContact O-CG 3.37Å; Q111-L115 PolarHBondContact O-N 3.31Å
112C98.5Very high97.9Very high3 Ų376.4 Ų76.42%0.0237%0.372CS..Hα-helixtrans-58.3-46.9173.9-174.50000111.3V93 L108 R109 F114 L115 E116V93-C112 HydrophobicContact CB-CB 4.33Å; V93-C112 HydrophobicContact CG2-CB 3.82Å; L108-C112 WeakPolarHBondContact O-CB 3.1Å; L108-C112 PolarHBondContact O-N 3.26Å; R109-C112 WeakPolarHBondContact O-CB 3.37Å; R109-C112 PolarHBondContact O-N 3.47Å; R109-C112 VanDerWaalsContact O-N 3.14Å; C112-F114 VanDerWaalsContact C-N 3.31Å; C112-F114 PolarHBondContact O-N 2.95Å; C112-L115 WeakPolarHBondContact O-CB 3.48Å; C112-L115 PolarHBondContact O-N 2.96Å; C112-E116 PolarHBondContact O-N 2.94Å
113D98.5Very high97.8Very high73 Ų7375.7 Ų75.739%0.3936%0.362SS..Hα-helixtrans-63.9-38.8178.1-67.3-20.4000111.7R109 T110 Q111 E116 R117R109-D113 PolarHBondContact O-N 3.45Å; T110-D113 PolarHBondContact O-N 3.14Å; Q111-D113 VanDerWaalsContact C-N 3.34Å; Q111-D113 PolarHBondContact O-N 2.91Å; D113-E116 PolarHBondContact O-N 2.97Å; D113-R117 WeakPolarHBondContact O-CB 3.43Å; D113-R117 WeakPolarHBondContact O-CG 3.47Å; D113-R117 PolarHBondContact O-N 2.92Å
114F98.2Very high97.8Very high124 Ų12476.7 Ų76.754%0.54436%0.359SS..Hα-helixtrans-62.9-43.2174.8178.9-94000112.1T110 Q111 C112 E116 R117 S118T110-F114 PolarHBondContact O-N 2.9Å; Q111-F114 PolarHBondContact O-N 3.42Å; C112-F114 VanDerWaalsContact C-N 3.31Å; C112-F114 PolarHBondContact O-N 2.95Å; F114-E116 VanDerWaalsContact C-N 3.32Å; F114-E116 PolarHBondContact O-N 3.36Å; F114-R117 PolarHBondContact O-N 3.43Å; F114-S118 VanDerWaalsContact O-CB 3.28Å; F114-S118 WeakPolarHBondContact O-CB 3.3Å; F114-S118 PolarHBondContact O-N 2.92Å; F114-S118 PolarHBondContact O-OG 2.88Å
115L97.8Very high97.8Very high21 Ų2179.4 Ų79.411%0.1138%0.376CS..Hα-helixtrans-60.7-42.4175.6-72171.7000111.1L51 F53 L54 Y90 Q111 C112 S118 R119L51-L115 HydrophobicContact CD2-CD1 4.17Å; L51-L115 HydrophobicContact CD2-CD2 4.24Å; F53-L115 HydrophobicContact CZ-CD1 4.33Å; L54-L115 HydrophobicContact CD1-CD2 4.16Å; Y90-L115 HydrophobicContact CD1-CB 4.5Å; Y90-L115 HydrophobicContact CD2-CB 3.72Å; Y90-L115 HydrophobicContact CE2-CB 3.97Å; Y90-L115 HydrophobicContact CG-CB 4.01Å; Q111-L115 WeakPolarHBondContact O-CG 3.37Å; Q111-L115 PolarHBondContact O-N 3.31Å; C112-L115 WeakPolarHBondContact O-CB 3.48Å; C112-L115 PolarHBondContact O-N 2.96Å; L115-S118 PolarHBondContact O-N 3.46Å; L115-R119 WeakPolarHBondContact O-CB 3.33Å; L115-R119 PolarHBondContact O-N 3.45Å
116E98.3Very high97.7Very high30 Ų3082.4 Ų82.414%0.1439%0.39CS..Hα-helixtrans-68.5-45.3178.4-174.660-175.500112.5S89 Y90 C112 D113 F114 S118 R119 I120S89-E116 VanDerWaalsContact CA-OE2 3.3Å; S89-E116 WeakPolarHBondContact CA-OE2 3.47Å; S89-E116 WeakPolarHBondContact CB-OE1 3.33Å; S89-E116 PolarHBondContact OG-OE1 2.74Å; Y90-E116 PolarHBondContact N-OE2 3.48Å; C112-E116 PolarHBondContact O-N 2.94Å; D113-E116 PolarHBondContact O-N 2.97Å; F114-E116 VanDerWaalsContact C-N 3.32Å; F114-E116 PolarHBondContact O-N 3.36Å; E116-S118 VanDerWaalsContact C-N 3.28Å; E116-S118 PolarHBondContact O-N 2.8Å; E116-R119 WeakPolarHBondContact O-CB 3.24Å; E116-R119 PolarHBondContact O-N 2.79Å; E116-R119 IonicContact OE1-CZ 2.76Å; E116-R119 IonicContact OE1-NE 2.87Å; E116-R119 PolarHBondContact OE1-NE 3.03Å; E116-R119 IonicContact OE1-NH2 3.27Å; E116-R119 PolarHBondContact OE1-NH2 2.86Å; E116-R119 IonicContact OE2-CZ 3.54Å; E116-R119 IonicContact OE2-NE 3.52Å; E116-R119 PolarHBondContact OE2-NE 3.17Å; E116-R119 IonicContact OE2-NH2 2.7Å; E116-I120 HydrophobicContact CG-CD1 4.01Å; E116-I120 WeakPolarHBondContact O-CG1 3.37Å; E116-I120 PolarHBondContact O-N 3.04Å
117R98.4Very high97.5Very high144 Ų14482.3 Ų82.354%0.54339%0.39SS..Hα-helixtrans-57.6-43.9174.1-74.7-170.9-65.6-94.3-0.1111.3D113 F114 I120 K121D113-R117 WeakPolarHBondContact O-CB 3.43Å; D113-R117 WeakPolarHBondContact O-CG 3.47Å; D113-R117 PolarHBondContact O-N 2.92Å; F114-R117 PolarHBondContact O-N 3.43Å; R117-I120 PolarHBondContact O-N 3.01Å; R117-K121 WeakPolarHBondContact O-CB 3.42Å; R117-K121 PolarHBondContact O-N 3.17Å
118S97.6Very high97.4Very high48 Ų4883.1 Ų83.134%0.33640%0.399SS..Hα-helixtrans-63.3-42177.9-63.90000111.9F114 L115 E116 K121 M122F114-S118 VanDerWaalsContact O-CB 3.28Å; F114-S118 WeakPolarHBondContact O-CB 3.3Å; F114-S118 PolarHBondContact O-N 2.92Å; F114-S118 PolarHBondContact O-OG 2.88Å; L115-S118 PolarHBondContact O-N 3.46Å; E116-S118 VanDerWaalsContact C-N 3.28Å; E116-S118 PolarHBondContact O-N 2.8Å; S118-K121 PolarHBondContact O-N 3.36Å; S118-M122 PolarHBondContact O-N 2.84Å
119R96.8Very high97.3Very high44 Ų4490 Ų9017%0.16643%0.429CS..Hα-helixtrans-62.5-47.3175.7-170.4-165.370.8836.8111.7N88 S89 Y90 L115 E116 K121 M122 L123N88-R119 WeakPolarHBondContact O-CD 3.5Å; S89-R119 PolarHBondContact OG-NH2 3.04Å; Y90-R119 HydrophobicContact CE2-CB 4.24Å; L115-R119 WeakPolarHBondContact O-CB 3.33Å; L115-R119 PolarHBondContact O-N 3.45Å; E116-R119 WeakPolarHBondContact O-CB 3.24Å; E116-R119 PolarHBondContact O-N 2.79Å; E116-R119 IonicContact OE1-CZ 2.76Å; E116-R119 IonicContact OE1-NE 2.87Å; E116-R119 PolarHBondContact OE1-NE 3.03Å; E116-R119 IonicContact OE1-NH2 3.27Å; E116-R119 PolarHBondContact OE1-NH2 2.86Å; E116-R119 IonicContact OE2-CZ 3.54Å; E116-R119 IonicContact OE2-NE 3.52Å; E116-R119 PolarHBondContact OE2-NE 3.17Å; E116-R119 IonicContact OE2-NH2 2.7Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-K121 PolarHBondContact O-N 3.26Å; R119-M122 WeakPolarHBondContact O-CB 3.46Å; R119-M122 PolarHBondContact O-N 3.43Å; R119-L123 WeakPolarHBondContact O-CG 3.43Å; R119-L123 PolarHBondContact O-N 3.46Å
120I97.5Very high97.1Very high60 Ų6091.1 Ų91.131%0.30843%0.433SS..Hα-helixtrans-61.1-44.7178-68.5167.8000110.5E116 R117 M122 L123 R124E116-I120 HydrophobicContact CG-CD1 4.01Å; E116-I120 WeakPolarHBondContact O-CG1 3.37Å; E116-I120 PolarHBondContact O-N 3.04Å; R117-I120 PolarHBondContact O-N 3.01Å; I120-M122 VanDerWaalsContact C-N 3.35Å; I120-M122 PolarHBondContact O-N 3.47Å; I120-L123 PolarHBondContact O-N 2.98Å; I120-R124 WeakPolarHBondContact O-CG 3.28Å; I120-R124 PolarHBondContact O-N 2.93Å
121K97.9Very high97Very high151 Ų15191.7 Ų91.766%0.65743%0.433SS*.Hα-helixtrans-58.3-47176.8-174.2177.6179.91790111.2R117 S118 R119 L123 R124 T125R117-K121 WeakPolarHBondContact O-CB 3.42Å; R117-K121 PolarHBondContact O-N 3.17Å; S118-K121 PolarHBondContact O-N 3.36Å; R119-K121 VanDerWaalsContact C-N 3.34Å; R119-K121 PolarHBondContact O-N 3.26Å; K121-L123 PolarHBondContact O-N 3.45Å; K121-R124 PolarHBondContact O-N 3.29Å; K121-T125 PolarHBondContact O-N 2.99Å; K121-T125 PolarHBondContact O-OG1 3.27Å; K121-T125 VanDerWaalsContact O-OG1 3.08Å
122M96.1Very high96.8Very high133 Ų13392 Ų9266%0.65544%0.444SS*.Hα-helixtrans-58.9-45.7176.9-175.7-155.6-61.200112S118 R119 I120 T125 L126S118-M122 PolarHBondContact O-N 2.84Å; R119-M122 WeakPolarHBondContact O-CB 3.46Å; R119-M122 PolarHBondContact O-N 3.43Å; I120-M122 VanDerWaalsContact C-N 3.35Å; I120-M122 PolarHBondContact O-N 3.47Å; M122-T125 PolarHBondContact O-N 2.91Å; M122-L126 PolarHBondContact O-N 2.99Å
123L95.4Very high96.5Very high82 Ų8294.6 Ų94.643%0.42947%0.465SS..Hα-helixtrans-62.3-44.9179.5-74.7177.5000112.2R119 I120 K121 T125 L126 E127R119-L123 WeakPolarHBondContact O-CG 3.43Å; R119-L123 PolarHBondContact O-N 3.46Å; I120-L123 PolarHBondContact O-N 2.98Å; K121-L123 PolarHBondContact O-N 3.45Å; L123-T125 VanDerWaalsContact C-N 3.31Å; L123-T125 PolarHBondContact O-N 3.41Å; L123-L126 PolarHBondContact O-N 3.47Å; L123-E127 WeakPolarHBondContact O-CB 3.47Å; L123-E127 PolarHBondContact O-N 2.91Å
124R96.6Very high96.1Very high175 Ų17596 Ų9666%0.6647%0.471SS*.Hα-helixtrans-59.9-41.8175.3-71.6178178.7172-0111.8I120 K121 E127 A128I120-R124 WeakPolarHBondContact O-CG 3.28Å; I120-R124 PolarHBondContact O-N 2.93Å; K121-R124 PolarHBondContact O-N 3.29Å; R124-E127 PolarHBondContact O-N 2.99Å; R124-A128 WeakPolarHBondContact O-CB 3.36Å; R124-A128 PolarHBondContact O-N 3.4Å
125T97.3Very high95.4Very high67 Ų6796.7 Ų96.741%0.41148%0.476SS..Hα-helixtrans-64-40.3175.8-58.70000112.1K121 M122 L123 K129K121-T125 PolarHBondContact O-N 2.99Å; K121-T125 PolarHBondContact O-OG1 3.27Å; K121-T125 VanDerWaalsContact O-OG1 3.08Å; M122-T125 PolarHBondContact O-N 2.91Å; L123-T125 VanDerWaalsContact C-N 3.31Å; L123-T125 PolarHBondContact O-N 3.41Å; T125-K129 HydrophobicContact CG2-CD 4.4Å; T125-K129 VanDerWaalsContact O-CG 3.31Å; T125-K129 WeakPolarHBondContact O-CG 3.46Å; T125-K129 PolarHBondContact O-N 2.9Å
126L95.5Very high94.6Very high115 Ų11599.5 Ų99.560%0.60250%0.497SS*.Hα-helixtrans-66.8-41.5177.7-177.962.7000111.7M122 L123 K129 R130M122-L126 PolarHBondContact O-N 2.99Å; L123-L126 PolarHBondContact O-N 3.47Å; L126-K129 PolarHBondContact O-N 3.01Å; L126-R130 PolarHBondContact O-N 2.95Å
127E95.4Very high93.5Very high127 Ų127101.5 Ų101.559%0.59351%0.514SS*.Hα-helixtrans-63.7-47.3176.4-175.3170.4-156.300111.7L123 R124 K129 R130 L131L123-E127 WeakPolarHBondContact O-CB 3.47Å; L123-E127 PolarHBondContact O-N 2.91Å; R124-E127 PolarHBondContact O-N 2.99Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 PolarHBondContact O-N 2.7Å; E127-R130 WeakPolarHBondContact O-CB 3.35Å; E127-R130 PolarHBondContact O-N 3.26Å; E127-R130 VanDerWaalsContact O-N 3.07Å; E127-L131 HydrophobicContact CG-CD1 4.42Å; E127-L131 WeakPolarHBondContact O-CG 3.43Å; E127-L131 PolarHBondContact O-N 3.42Å
128A95.9Very high92.1Very high60 Ų60100 Ų10050%0.49652%0.521SS..Hα-helixtrans-58.4-42.7175.700000112.2R124 R130 L131 A132R124-A128 WeakPolarHBondContact O-CB 3.36Å; R124-A128 PolarHBondContact O-N 3.4Å; A128-R130 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 2.91Å; A128-L131 PolarHBondContact O-N 3.2Å; A128-A132 PolarHBondContact O-N 3.37Å
129K96.3Very high90.3Very high145 Ų145104.1 Ų104.163%0.6354%0.539SS*.Hα-helixtrans-62.5-39.2174.9-75.6178.2179.2-173.60112.3T125 L126 E127 A133T125-K129 HydrophobicContact CG2-CD 4.4Å; T125-K129 VanDerWaalsContact O-CG 3.31Å; T125-K129 WeakPolarHBondContact O-CG 3.46Å; T125-K129 PolarHBondContact O-N 2.9Å; L126-K129 PolarHBondContact O-N 3.01Å; E127-K129 VanDerWaalsContact C-N 3.32Å; E127-K129 PolarHBondContact O-N 2.7Å; K129-A133 WeakPolarHBondContact O-CB 3.39Å; K129-A133 PolarHBondContact O-N 2.94Å
130R95.7Very high88.3Confident185 Ų185108.9 Ų108.970%0.69857%0.567SS**Hα-helixtrans-65.7-43.8177.2-177.7-176171.4-179.4-2111.5L126 E127 A128 A133 M134L126-R130 PolarHBondContact O-N 2.95Å; E127-R130 WeakPolarHBondContact O-CB 3.35Å; E127-R130 PolarHBondContact O-N 3.26Å; E127-R130 VanDerWaalsContact O-N 3.07Å; A128-R130 VanDerWaalsContact C-N 3.33Å; A128-R130 PolarHBondContact O-N 2.91Å; R130-A133 PolarHBondContact O-N 3.03Å; R130-M134 PolarHBondContact O-N 3.39Å
131L94.9Very high86.4Confident90 Ų90111.7 Ų111.747%0.47159%0.589SS.*Hα-helixtrans-62.2-47.1177.9-68.3173.9000111.3E127 A128 A133 M134 E135E127-L131 HydrophobicContact CG-CD1 4.42Å; E127-L131 WeakPolarHBondContact O-CG 3.43Å; E127-L131 PolarHBondContact O-N 3.42Å; A128-L131 PolarHBondContact O-N 3.2Å; L131-A133 VanDerWaalsContact C-N 3.35Å; L131-A133 PolarHBondContact O-N 3.04Å; L131-M134 WeakPolarHBondContact O-CB 3.31Å; L131-M134 PolarHBondContact O-N 3.39Å; L131-M134 VanDerWaalsContact O-N 3.07Å; L131-E135 PolarHBondContact O-N 3.41Å
132A93.4Very high84.2Confident55 Ų55109.2 Ų109.246%0.45560%0.597SS.*Hα-helixtrans-62-38.6176.800000113.2A128 M134 S136A128-A132 PolarHBondContact O-N 3.37Å; A132-M134 VanDerWaalsContact C-N 3.29Å; A132-M134 PolarHBondContact O-N 3.15Å; A132-S136 PolarHBondContact O-N 3.07Å; A132-S136 VanDerWaalsContact O-N 3.07Å; A132-S136 PolarHBondContact O-OG 3.05Å
133A93.1Very high82.4Confident57 Ų57114.5 Ų114.547%0.47161%0.609SS.*Hα-helixtrans-65.1-34.1174.500000112.1K129 R130 L131 S136 S137K129-A133 WeakPolarHBondContact O-CB 3.39Å; K129-A133 PolarHBondContact O-N 2.94Å; R130-A133 PolarHBondContact O-N 3.03Å; L131-A133 VanDerWaalsContact C-N 3.35Å; L131-A133 PolarHBondContact O-N 3.04Å; A133-S136 WeakPolarHBondContact CA-OG 3.42Å; A133-S136 PolarHBondContact O-OG 3.37Å; A133-S137 PolarHBondContact O-N 3.08Å
134M89.1Confident80.2Confident103 Ų103115 Ų11551%0.50762%0.62SS.*Hα-helixtrans-73.2-43.9178.2-150.7154.774.600111.1R130 L131 A132 S136 S137 V138R130-M134 PolarHBondContact O-N 3.39Å; L131-M134 WeakPolarHBondContact O-CB 3.31Å; L131-M134 PolarHBondContact O-N 3.39Å; L131-M134 VanDerWaalsContact O-N 3.07Å; A132-M134 VanDerWaalsContact C-N 3.29Å; A132-M134 PolarHBondContact O-N 3.15Å; M134-S136 VanDerWaalsContact C-N 3.33Å; M134-S136 PolarHBondContact O-N 3.46Å; M134-S137 PolarHBondContact O-N 3.46Å; M134-S137 VanDerWaalsContact O-N 3.15Å; M134-S137 PolarHBondContact O-OG 3.38Å; M134-V138 WeakPolarHBondContact O-CG2 3.43Å; M134-V138 PolarHBondContact O-N 3.36Å
135E85.3Confident77.8Confident139 Ų139112.8 Ų112.865%0.6563%0.628SS**Hα-helixtrans-58.9-41.5174.7-71.7174.3176.500112.4L131 S137 V138L131-E135 PolarHBondContact O-N 3.41Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 3.02Å; E135-V138 PolarHBondContact O-N 2.71Å
136S80.5Confident75.3Confident80 Ų80119.2 Ų119.256%0.55965%0.65SS**Hα-helixtrans-68.1-27.9176.954.40000113.9A132 A133 M134A132-S136 PolarHBondContact O-N 3.07Å; A132-S136 VanDerWaalsContact O-N 3.07Å; A132-S136 PolarHBondContact O-OG 3.05Å; A133-S136 WeakPolarHBondContact CA-OG 3.42Å; A133-S136 PolarHBondContact O-OG 3.37Å; M134-S136 VanDerWaalsContact C-N 3.33Å; M134-S136 PolarHBondContact O-N 3.46Å
137S74.9Confident72.5Confident71 Ų71119.5 Ų119.550%0.49766%0.662SS.*Hα-helixtrans-76.7-22.8178.171.90000114.4A133 M134 E135A133-S137 PolarHBondContact O-N 3.08Å; M134-S137 PolarHBondContact O-N 3.46Å; M134-S137 VanDerWaalsContact O-N 3.15Å; M134-S137 PolarHBondContact O-OG 3.38Å; E135-S137 VanDerWaalsContact C-N 3.32Å; E135-S137 PolarHBondContact O-N 3.02Å
138V68.3Low69.6Low113 Ų113117.5 Ų117.569%0.68568%0.676SS**Hα-helixtrans-84.4-18.4180-176.60000111.6M134 E135 L140M134-V138 WeakPolarHBondContact O-CG2 3.43Å; M134-V138 PolarHBondContact O-N 3.36Å; E135-V138 PolarHBondContact O-N 2.71Å; V138-L140 VanDerWaalsContact C-N 3.33Å; V138-L140 PolarHBondContact O-N 3.36Å
139N59.5Low66.6Low134 Ų134118.5 Ų118.572%0.71769%0.692SS**  trans-90.134.9179.6-76.4-15.3000114.4
140L56.7Low63.7Low144 Ų144118 Ų11875%0.75470%0.701SS**  trans-80.8122.1167-75.5170.7000109.5V138 A142V138-L140 VanDerWaalsContact C-N 3.33Å; V138-L140 PolarHBondContact O-N 3.36Å; L140-A142 PolarHBondContact O-N 3.07Å
141P56.2Low60.9Low119 Ų119117.1 Ų117.177%0.77371%0.705SS**  trans-64.3124.1172.124.8-30000109R143P141-R143 PolarHBondContact O-N 3.04Å
142A52.1Low57.9Low99 Ų99120.9 Ų120.982%0.81872%0.72SS**  trans-58.4102.9169.900000108.8L140 S144L140-A142 PolarHBondContact O-N 3.07Å; A142-S144 PolarHBondContact O-N 2.92Å
143R58.1Low55.1Low244 Ų244124.1 Ų124.192%0.92173%0.734SS**  trans-72.1101.4172.3-154.3177.2-173.4-173.41.8107.1P141P141-R143 PolarHBondContact O-N 3.04Å
144S49.1Very low52.6Low92 Ų92127.5 Ų127.564%0.64375%0.751SS**  trans-62.4132173.838.20000110.2A142 K146A142-S144 PolarHBondContact O-N 2.92Å; S144-K146 PolarHBondContact O-N 3.07Å
145P47.2Very low50Low129 Ų129127.6 Ų127.684%0.83876%0.762SS**  trans-77.3106.7171.929.5-28.1000108S147P145-S147 PolarHBondContact O-N 2.94Å
146K43.4Very low48Very low202 Ų202126.9 Ų126.988%0.87877%0.769SS**  trans-81.7108.3165.4-84.4-171174.8-176.80109.1S144S144-K146 PolarHBondContact O-N 3.07Å
147S38Very low45.7Very low122 Ų122128.1 Ų128.185%0.85378%0.778SS**  trans-74.6141.4161.562.70000110.8P145P145-S147 PolarHBondContact O-N 2.94Å
148G33.4Very low43.9Very low85 Ų85129.7 Ų129.788%0.87679%0.789SS**  trans122.2119.8148.300000116
149G32.9Very low42.4Very low81 Ų81132 Ų13284%0.83579%0.793SS**  trans13285.3150.300000116.7
150T36.5Very low41.3Very low135 Ų135131.5 Ų131.583%0.82879%0.789SS**  trans-70137166.6-36.60000111.3
151Q35.3Very low40.3Very low165 Ų165132.7 Ų132.777%0.77179%0.788SS**  163.7121.1124-88.6177.220.900114.3
152Q33.8Very low39.2Very low170 Ų170131.5 Ų131.579%0.79478%0.783SS**  trans54.6114134.6-65.1177.113.900123
153T32.8Very low38.3Very low123 Ų123135.9 Ų135.976%0.75578%0.783SS**  trans-9.9152.9135.5440000119.1
154P41.6Very low37Very low127 Ų127129 Ų12983%0.82577%0.772SS**  -141.9161.660.935.1-14000118.6
155S34.2Very low36.1Very low105 Ų105128.7 Ų128.773%0.73478%0.776SS**  trans-68.4169.4172-42.40000112.8
156P44Very low35.5Very low124 Ų124134 Ų13481%0.80578%0.779SS**  -140.7139.7105.534.1-19.1000115.9
157S31.5Very low35Very low106 Ų106128.7 Ų128.774%0.74177%0.767SS**  trans39.8117132.3169.40000120.9
158S36.7Very low34.8Very low104 Ų104130 Ų13073%0.72777%0.765SS**  -177108.8115.144.20000108.6
159Q37.6Very low34.9Very low163 Ų163134.2 Ų134.276%0.76276%0.762SS**  98.6114.397.9-87.8-166.1-24.500114
160L35.6Very low35Very low122 Ų122137.6 Ų137.664%0.63976%0.761SS**  trans71.1134.6130.6-59.6165.1000116.7
161K35.5Very low35.2Very low170 Ų170134.2 Ų134.274%0.73975%0.752SS**  cis-175.4141.23.4-135.1174.3-165.6169.80107.3
162S34.1Very low35.7Very low93 Ų93132.3 Ų132.365%0.6576%0.755SS**  trans53.4142.4135.859.30000121.1
163K34Very low36.2Very low191 Ų191130.2 Ų130.283%0.8376%0.756SS**  cis-175148.121.8-122.9167.2-175.9-175.80111.2
164S30.2Very low36.7Very low99 Ų99129.1 Ų129.169%0.69276%0.759SS**  trans23.4132.8140.658.70000120.9
165A29.9Very low36.8Very low87 Ų87129.4 Ų129.472%0.71976%0.758SS**  cis109.1141.541.800000112.2
166R34.3Very low37.4Very low239 Ų239136 Ų13690%0.90277%0.767SS**  trans81.3148.6167-55.6-178.6177.1-172.3-2.2116.2
167S33.1Very low37.5Very low91 Ų91141 Ų14164%0.63677%0.77SS**  cis-173.6155.3-16-87.30000106.4
168D33.8Very low38.1Very low149 Ų149140.2 Ų140.280%0.79776%0.762SS**  trans78.5129.6149.4-59.1-27.5000124.5
169E34.5Very low38.7Very low174 Ų174145 Ų14581%0.81377%0.771SS**  trans92.1133.2143.5-70.6-87.185.400122.9
170D35.2Very low39.4Very low153 Ų153146.5 Ų146.582%0.81877%0.771SS**  trans76.299.6163.6-87.2-38.9000122.2
171G41.8Very low40.7Very low63 Ų63147.2 Ų147.265%0.64977%0.768SS**  trans-139.8145.9160.900000111.5
172P45.6Very low42.1Very low126 Ų126143.7 Ų143.782%0.81876%0.761SS**PPolyproline II helixtrans-74.5164.9-161.731.6-35.5000114.1
173P44.6Very low42.9Very low126 Ų126150 Ų15082%0.81877%0.771SS**PPolyproline II helixtrans-72.7152.9-156.428.9-34.8000114.5T175P173-T175 PolarHBondContact O-N 3.44Å
174A43.8Very low43.9Very low99 Ų99144 Ų14482%0.81876%0.757SS**PPolyproline II helixtrans-57.2120178.200000112.6R176A174-R176 PolarHBondContact O-N 3.41Å
175T42.4Very low45.1Very low133 Ų133143 Ų14382%0.81674%0.744SS**PPolyproline II helixtrans-64.8116166.635.20000109.6P173 R177P173-T175 PolarHBondContact O-N 3.44Å; T175-R177 PolarHBondContact O-N 3.23Å; T175-R177 VanDerWaalsContact O-N 3.08Å
176R48.4Very low46.4Very low245 Ų245146.6 Ų146.693%0.92574%0.743SS**  trans-54.5113.2170.4-78.6179.8174.6-177.9-1.1109.4A174A174-R176 PolarHBondContact O-N 3.41Å
177R46Very low47.5Very low229 Ų229142.1 Ų142.186%0.86474%0.736SS**  trans-65.3138.4167-67.5-175.4179.5-157.60.2109.2T175 F179T175-R177 PolarHBondContact O-N 3.23Å; T175-R177 VanDerWaalsContact O-N 3.08Å; R177-F179 PolarHBondContact O-N 2.92Å
178P43.3Very low48.5Very low88 Ų88146.8 Ų146.857%0.57175%0.745SS**  trans-65.4128171.3-12.726.5000109.5Y180P178-Y180 HydrophobicContact CB-CD2 4.43Å; P178-Y180 HydrophobicContact CB-CE2 3.94Å; P178-Y180 HydrophobicContact CG-CE2 4.13Å; P178-Y180 WeakPolarHBondContact O-CD2 3.5Å; P178-Y180 PolarHBondContact O-N 3.04Å
179F49.7Very low49.5Very low206 Ų206149.1 Ų149.190%0.90474%0.743SS**  trans-67.396.8166.7-107.3-93.6000108.4R177 K181R177-F179 PolarHBondContact O-N 2.92Å; F179-K181 PolarHBondContact O-N 3.22Å
180Y51.3Low50.3Low194 Ų194150 Ų15076%0.76175%0.746SS**  trans-76.8108.9166.3-64.3-79.2000108.1P178 T182P178-Y180 HydrophobicContact CB-CD2 4.43Å; P178-Y180 HydrophobicContact CB-CE2 3.94Å; P178-Y180 HydrophobicContact CG-CE2 4.13Å; P178-Y180 WeakPolarHBondContact O-CD2 3.5Å; P178-Y180 PolarHBondContact O-N 3.04Å; Y180-T182 PolarHBondContact O-N 3.3Å
181K62.6Low50.7Low136 Ų136157.8 Ų157.859%0.59177%0.765SS**  trans-62.9126.5170.2-76.9178.8179.3171.50109.3F179 D185F179-K181 PolarHBondContact O-N 3.22Å; K181-D185 WeakPolarHBondContact CA-OD2 3.39Å; K181-D185 HydrophobicContact CB-CB 4.25Å; K181-D185 HydrophobicContact CG-CB 4.41Å
182T64.7Low51.2Low97 Ų97162.6 Ų162.660%0.59577%0.77SS**  trans-81.8158.317616.40000110.3Y180 A184 D185Y180-T182 PolarHBondContact O-N 3.3Å; T182-A184 PolarHBondContact O-N 3.4Å; T182-D185 PolarHBondContact N-OD2 3.46Å; T182-D185 WeakPolarHBondContact O-CB 3.46Å; T182-D185 PolarHBondContact O-N 3.07Å
183R51.2Low51.5Low226 Ų226164.5 Ų164.585%0.85377%0.768SS**G310 helixtrans-52.6-22.1179.6-169.6176.3169.6178.6-3.5114D185R183-D185 VanDerWaalsContact C-N 3.33Å
184A56.4Low51.9Low64 Ų64166.6 Ų166.653%0.52977%0.765SS.*G310 helixtrans-67.9-25.9173.900000114.1T182 F186 L187T182-A184 PolarHBondContact O-N 3.4Å; A184-F186 VanDerWaalsContact C-N 3.31Å; A184-F186 PolarHBondContact O-N 3.42Å; A184-L187 PolarHBondContact O-N 2.96Å
185D54.9Low52.3Low79 Ų79170.6 Ų170.642%0.42276%0.762SS.*G310 helixtrans-74.6-21.3-176.2-64.5-43.2000113.1K181 T182 R183K181-D185 WeakPolarHBondContact CA-OD2 3.39Å; K181-D185 HydrophobicContact CB-CB 4.25Å; K181-D185 HydrophobicContact CG-CB 4.41Å; T182-D185 PolarHBondContact N-OD2 3.46Å; T182-D185 WeakPolarHBondContact O-CB 3.46Å; T182-D185 PolarHBondContact O-N 3.07Å; R183-D185 VanDerWaalsContact C-N 3.33Å
186F57.4Low52.9Low161 Ų161172.9 Ų172.971%0.70676%0.759SS**G310 helixtrans-84.4-19.2178.7-78.5-87.8000113.5A184A184-F186 VanDerWaalsContact C-N 3.31Å; A184-F186 PolarHBondContact O-N 3.42Å
187L57.8Low53.2Low145 Ų145168.1 Ų168.176%0.75975%0.748SS**THydrogen-bonded Turntrans-83.5-9-176.1-74.7161.5000113.6A184A184-L187 PolarHBondContact O-N 2.96Å
188K52.3Low53.8Low190 Ų190163.8 Ų163.883%0.82674%0.739SS**THydrogen-bonded Turntrans-941.1-177.3-82.8-173.6176.1-178.60115.6
189R55.1Low54.6Low198 Ų198169.6 Ų169.675%0.74775%0.752SS**SBendtrans-98.94.2-175.7-75.7-170.2-166.1-174.5-1.7116.3
190H51.5Low55Low191 Ų191166.6 Ų166.688%0.88474%0.74SS**  trans-122.783.8169.4-83.9-69.8000109.9
191R44.5Very low55.3Low318 Ų318164.1 Ų164.1100%1.274%0.738SS**  trans-144.80148.2-114.3-174.3-178-173.20.4108.4

Retrieved 191 of 191 residues in 50.1 ms (Link to these results)

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