A0A077Z2J5_TRITR Loading...

TUDOR domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z2J5, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 265 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
1M36.3Very low38.6Very low237 Ų237159.8 Ų159.8100%1.16778%0.784SS**  0116.60-78.9-172.7-89.500107.6
2L36.7Very low40Very low179 Ų179151.2 Ų151.294%0.93774%0.742SS**  trans-67129.3179.8-75157.7000109.1G4L2-G4 PolarHBondContact O-N 3.3Å
3Y38Very low41.3Very low218 Ų218147.7 Ų147.786%0.85574%0.738SS**  trans-57.4106.1176.6-77.1-94.1000109.2Y5Y3-Y5 PolarHBondContact O-N 3.17Å
4G37.2Very low43.3Very low73 Ų73142.3 Ų142.375%0.75374%0.739SS**  trans-64.2104.9170.400000108.3L2 S6L2-G4 PolarHBondContact O-N 3.3Å; G4-S6 VanDerWaalsContact C-N 3.33Å; G4-S6 PolarHBondContact O-N 2.76Å
5Y36.3Very low45.7Very low210 Ų210135.5 Ų135.582%0.82470%0.703SS**  trans-58.9104.5161.6-80.8-90.8000106.6Y3 F7Y3-Y5 PolarHBondContact O-N 3.17Å; Y5-F7 PolarHBondContact O-N 3.35Å
6S36.6Very low48.4Very low105 Ų105134.1 Ų134.173%0.73470%0.697SS**  trans-56.1105.6166.3-177.60000106.5G4 S8G4-S6 VanDerWaalsContact C-N 3.33Å; G4-S6 PolarHBondContact O-N 2.76Å; S6-S8 PolarHBondContact O-N 3.2Å
7F37.6Very low50.8Low192 Ų192131.2 Ų131.284%0.84268%0.681SS**  trans-62.394.9162.1-94.5-95.9000105.8Y5 R9Y5-F7 PolarHBondContact O-N 3.35Å; F7-R9 PolarHBondContact O-N 2.93Å
8S39.8Very low53.1Low77 Ų77124.2 Ų124.254%0.53865%0.646SS.*  trans-46.3109.7163.5-47.30000106.6S6 L10S6-S8 PolarHBondContact O-N 3.2Å; S8-L10 PolarHBondContact O-N 3.15Å
9R35.5Very low55.2Low236 Ų236127.8 Ų127.889%0.89166%0.656SS**  trans-47.6113.8-179.4-74-179.1-175.1-1731.1108.6F7 K11F7-R9 PolarHBondContact O-N 2.93Å; R9-K11 PolarHBondContact O-N 3.45Å; R9-K11 VanDerWaalsContact O-N 3.15Å
10L41Very low57.1Low86 Ų86125.7 Ų125.745%0.4565%0.653SS.*  trans-52.5122162.1-74145.5000106.4S8 I12 L84S8-L10 PolarHBondContact O-N 3.15Å; L10-I12 PolarHBondContact O-N 3.03Å; L10-L84 HydrophobicContact CB-CD1 4.37Å; L10-L84 HydrophobicContact CD2-CB 3.84Å; L10-L84 HydrophobicContact CD2-CD1 3.83Å; L10-L84 HydrophobicContact CD2-CG 4.24Å; L10-L84 HydrophobicContact CG-CD1 4.48Å
11K50Low59.1Low145 Ų145121.1 Ų121.163%0.6363%0.627SS**SBendtrans-68.9-10.4165.6-116.3-173.6178.7179.70111.4R9 D80R9-K11 PolarHBondContact O-N 3.45Å; R9-K11 VanDerWaalsContact O-N 3.15Å; K11-D80 HydrophobicContact CD-CB 4.22Å; K11-D80 IonicContact NZ-OD2 2.71Å; K11-D80 PolarHBondContact NZ-OD2 3.3Å
12I55.4Low61.9Low56 Ų56113.9 Ų113.929%0.28759%0.591SS.*SBendtrans-130.381.7172-47.2152.6000109.3L10 G14 M15 F77L10-I12 PolarHBondContact O-N 3.03Å; I12-G14 PolarHBondContact O-N 3.07Å; I12-M15 HydrophobicContact CB-CB 4.06Å; I12-M15 HydrophobicContact CD1-SD 3.9Å; I12-M15 HydrophobicContact CG2-CB 3.73Å; I12-M15 HydrophobicContact CG2-CG 4.35Å; I12-M15 PolarHBondContact O-N 3.37Å; I12-F77 HydrophobicContact CD1-CD1 4.11Å; I12-F77 HydrophobicContact CD1-CE1 3.33Å; I12-F77 HydrophobicContact CD1-CE2 3.88Å; I12-F77 HydrophobicContact CD1-CZ 3.22Å; I12-F77 HydrophobicContact CG1-CZ 4.38Å
13P56.7Low64.7Low106 Ų106108.7 Ų108.769%0.68857%0.569SS**THydrogen-bonded Turntrans-53.7130.5164.2-20.432.7000109.3
14G68.7Low67.5Low72 Ų7299.7 Ų99.774%0.74254%0.535SS*.THydrogen-bonded Turntrans79.517.3177.600000116.1I12 D16I12-G14 PolarHBondContact O-N 3.07Å; G14-D16 PolarHBondContact O-N 3.09Å
15M80Confident70.3Confident41 Ų4197.7 Ų97.720%0.20251%0.509CS..PPolyproline II helixtrans-63.8117172.3-170.4-177.876.400110.9I12 I17 F77 L140I12-M15 HydrophobicContact CB-CB 4.06Å; I12-M15 HydrophobicContact CD1-SD 3.9Å; I12-M15 HydrophobicContact CG2-CB 3.73Å; I12-M15 HydrophobicContact CG2-CG 4.35Å; I12-M15 PolarHBondContact O-N 3.37Å; M15-I17 HydrophobicContact CE-CG1 4.25Å; M15-I17 PolarHBondContact O-N 3.42Å; M15-F77 HydrophobicContact CG-CZ 4.27Å; M15-F77 HydrophobicContact SD-CE1 3.78Å; M15-F77 HydrophobicContact SD-CZ 3.8Å; M15-L140 HydrophobicContact CE-CB 4.37Å
16D88.1Confident73.1Confident113 Ų11388.7 Ų88.760%0.60448%0.477SS*.PPolyproline II helixtrans-71.2124171.7-76-34.4000110.6G14 S142 T143G14-D16 PolarHBondContact O-N 3.09Å; D16-S142 WeakPolarHBondContact O-CA 3.43Å; D16-T143 HydrophobicContact CB-CG2 3.72Å; D16-T143 WeakPolarHBondContact CB-OG1 3.33Å; D16-T143 PolarHBondContact O-N 2.88Å
17I89.1Confident76Confident85 Ų8583.8 Ų83.844%0.43644%0.442SS..BIsolated β-bridgetrans-87.7125.9-178.4-63.2153.9000109.8M15 K19 L140M15-I17 HydrophobicContact CE-CG1 4.25Å; M15-I17 PolarHBondContact O-N 3.42Å; I17-K19 PolarHBondContact O-N 2.9Å; I17-L140 HydrophobicContact CD1-CD1 3.47Å; I17-L140 VanDerWaalsContact CD1-CD1 3.47Å; I17-L140 HydrophobicContact CG1-CB 4.31Å; I17-L140 HydrophobicContact CG1-CD1 3.85Å; I17-L140 HydrophobicContact CG2-CB 4.13Å; I17-L140 HydrophobicContact CG2-CD1 4.14Å
18A92.6Very high78.7Confident5 Ų576 Ų764%0.04141%0.408CS..PPolyproline II helixtrans-67.1123175.500000111.7P95 L141 T143 A146A18-P95 HydrophobicContact CB-CB 4.26Å; A18-P95 HydrophobicContact CB-CG 4.3Å; A18-L141 HydrophobicContact CB-CB 4.26Å; A18-L141 HydrophobicContact CB-CD2 4.37Å; A18-L141 HydrophobicContact CB-CG 4.46Å; A18-L141 WeakPolarHBondContact CB-O 3.47Å; A18-L141 PolarHBondContact N-O 3.43Å; A18-T143 HydrophobicContact CB-CG2 4.39Å; A18-A146 HydrophobicContact CB-CB 3.36Å
19K92.3Very high81.3Confident192 Ų19279.9 Ų79.984%0.83542%0.415SS*.SBendtrans-88.9-26.2173.8-62.1-177.8-179.1177.80112.9I17 P95I17-K19 PolarHBondContact O-N 2.9Å; K19-P95 VanDerWaalsContact O-CD 3.26Å; K19-P95 WeakPolarHBondContact O-CD 3.44Å
20S95Very high84.2Confident86 Ų8672.5 Ų72.560%0.60140%0.399SS*.SBendtrans-154156.7179.257.70000110.1
21Y97.2Very high86.8Confident30 Ų3069 Ų6912%0.11838%0.384CS..PPolyproline II helixtrans-78156.8167.8-72-78.4000111.7P95 A107 K108 V125 L141 A146 P150Y21-P95 HydrophobicContact CD2-CB 4.06Å; Y21-P95 HydrophobicContact CD2-CG 3.81Å; Y21-P95 HydrophobicContact CE1-CB 4.36Å; Y21-P95 HydrophobicContact CE2-CB 3.54Å; Y21-P95 HydrophobicContact CE2-CG 3.82Å; Y21-P95 HydrophobicContact CG-CG 4.35Å; Y21-A107 PolarHBondContact OH-N 3.24Å; Y21-A107 PolarHBondContact OH-O 3.28Å; Y21-K108 HydrophobicContact CE2-CB 4.4Å; Y21-V125 HydrophobicContact CE1-CG2 4.17Å; Y21-V125 HydrophobicContact CE2-CG1 3.92Å; Y21-V125 HydrophobicContact CE2-CG2 4.34Å; Y21-L141 HydrophobicContact CD1-CD2 4.39Å; Y21-L141 HydrophobicContact CE1-CD2 3.47Å; Y21-L141 VanDerWaalsContact CE1-CD2 3.47Å; Y21-L141 WeakPolarHBondContact OH-CD2 3.35Å; Y21-A146 HydrophobicContact CD1-CB 4.28Å; Y21-P150 HydrophobicContact CD1-CG 4.36Å; Y21-P150 HydrophobicContact CD2-CG 4.16Å; Y21-P150 HydrophobicContact CG-CG 3.94Å
22Q96.5Very high88.9Confident85 Ų8562.8 Ų62.840%0.39736%0.358SS..PPolyproline II helixtrans-55.4140.1161.5-169.5177.761.500110.2Q24 V26 A146 S147 P149Q22-Q24 PolarHBondContact O-N 3.44Å; Q22-V26 HydrophobicContact CG-CG2 3.85Å; Q22-A146 PolarHBondContact N-O 3.02Å; Q22-S147 WeakPolarHBondContact CB-O 3.45Å; Q22-S147 PolarHBondContact OE1-O 2.83Å; Q22-P149 HydrophobicContact CB-CB 4.46Å; Q22-P149 WeakPolarHBondContact O-CA 3.29Å; Q22-P149 WeakPolarHBondContact O-CB 3.31Å
23S96Very high90.6Very high69 Ų6965.5 Ų65.548%0.48337%0.373SS..PPolyproline II helixtrans-60.1133-179.4176.30000111.8S25 V26S23-S25 WeakPolarHBondContact CB-OG 3.42Å; S23-S25 PolarHBondContact O-N 3.02Å; S23-S25 WeakPolarHBondContact OG-CB 3.47Å; S23-S25 PolarHBondContact OG-N 3.18Å; S23-S25 VanDerWaalsContact OG-N 3.16Å; S23-S25 PolarHBondContact OG-OG 3.46Å; S23-V26 WeakPolarHBondContact O-CB 3.3Å; S23-V26 WeakPolarHBondContact O-CG2 3.32Å; S23-V26 PolarHBondContact O-N 2.89Å
24Q96.4Very high92.3Very high29 Ų2964.5 Ų64.514%0.13638%0.382CS..THydrogen-bonded Turntrans-59.6-16.7171.8-91.7-171.4-16.400113.6Q22 V26 L27 F28 P149 P150 A152 F191Q22-Q24 PolarHBondContact O-N 3.44Å; Q24-V26 PolarHBondContact O-N 3.29Å; Q24-L27 HydrophobicContact CB-CD1 4.36Å; Q24-L27 HydrophobicContact CG-CD1 4.05Å; Q24-L27 WeakPolarHBondContact O-CB 3.35Å; Q24-L27 WeakPolarHBondContact O-CG 3.37Å; Q24-L27 PolarHBondContact O-N 3.11Å; Q24-F28 WeakPolarHBondContact O-CD2 3.28Å; Q24-F28 WeakPolarHBondContact O-CE2 3.44Å; Q24-P149 HydrophobicContact CG-CB 4.22Å; Q24-P150 HydrophobicContact CG-CB 4.08Å; Q24-P150 WeakPolarHBondContact CG-O 3.49Å; Q24-P150 PolarHBondContact NE2-O 3.41Å; Q24-A152 PolarHBondContact NE2-O 3.04Å; Q24-F191 HydrophobicContact CB-CE1 3.71Å; Q24-F191 HydrophobicContact CB-CZ 3.78Å
25S95.2Very high93.5Very high31 Ų3165.9 Ų65.922%0.21737%0.365CS..THydrogen-bonded Turntrans-55.5-24.8172.265.50000112.8S23 L27 F28 K29S23-S25 WeakPolarHBondContact CB-OG 3.42Å; S23-S25 PolarHBondContact O-N 3.02Å; S23-S25 WeakPolarHBondContact OG-CB 3.47Å; S23-S25 PolarHBondContact OG-N 3.18Å; S23-S25 VanDerWaalsContact OG-N 3.16Å; S23-S25 PolarHBondContact OG-OG 3.46Å; S25-L27 VanDerWaalsContact C-N 3.26Å; S25-L27 PolarHBondContact O-N 2.93Å; S25-F28 PolarHBondContact O-N 3.45Å; S25-F28 VanDerWaalsContact O-N 3.14Å; S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 WeakPolarHBondContact O-CG 3.39Å; S25-K29 PolarHBondContact O-N 3.26Å
26V95.8Very high94.3Very high22 Ų2269.3 Ų69.313%0.13338%0.375CS..Hα-helixtrans-56.7-38174.4167.40000111.6Q22 S23 Q24 F28 K29 S30 G31 I32Q22-V26 HydrophobicContact CG-CG2 3.85Å; S23-V26 WeakPolarHBondContact O-CB 3.3Å; S23-V26 WeakPolarHBondContact O-CG2 3.32Å; S23-V26 PolarHBondContact O-N 2.89Å; Q24-V26 PolarHBondContact O-N 3.29Å; V26-F28 PolarHBondContact O-N 2.94Å; V26-F28 VanDerWaalsContact O-N 3.11Å; V26-K29 PolarHBondContact O-N 3.09Å; V26-S30 WeakPolarHBondContact CG1-OG 3.39Å; V26-S30 PolarHBondContact O-N 2.84Å; V26-S30 PolarHBondContact O-OG 2.87Å; V26-G31 WeakPolarHBondContact O-CA 3.32Å; V26-G31 PolarHBondContact O-N 3.45Å; V26-I32 HydrophobicContact CG1-CG1 4.09Å
27L96.8Very high94.7Very high1 Ų164.4 Ų64.41%0.00535%0.349CS..Hα-helixtrans-57.2-31.2178.4-60.9172.6000112.6Q24 S25 I32 L37 F63 P149 L151 V153Q24-L27 HydrophobicContact CB-CD1 4.36Å; Q24-L27 HydrophobicContact CG-CD1 4.05Å; Q24-L27 WeakPolarHBondContact O-CB 3.35Å; Q24-L27 WeakPolarHBondContact O-CG 3.37Å; Q24-L27 PolarHBondContact O-N 3.11Å; S25-L27 VanDerWaalsContact C-N 3.26Å; S25-L27 PolarHBondContact O-N 2.93Å; L27-I32 HydrophobicContact CD2-CD1 3.32Å; L27-I32 HydrophobicContact CD2-CG1 4.14Å; L27-L37 HydrophobicContact CB-CD1 4.27Å; L27-L37 PolarHBondContact O-N 3.38Å; L27-F63 HydrophobicContact CD2-CD2 4.28Å; L27-F63 HydrophobicContact CD2-CE1 4.48Å; L27-F63 HydrophobicContact CD2-CE2 3.7Å; L27-F63 HydrophobicContact CD2-CZ 3.82Å; L27-P149 HydrophobicContact CD2-CG 4.06Å; L27-P149 HydrophobicContact CG-CG 4.19Å; L27-L151 HydrophobicContact CD2-CD2 4.38Å; L27-V153 HydrophobicContact CD1-CG2 3.82Å
28F95.6Very high95.1Very high30 Ų3064.1 Ų64.113%0.13235%0.345CS..Hα-helixtrans-104.5-29.4-172.9-48.1-75.7000113.5Q24 S25 V26 R36 L37 V153 F187 F191 L195Q24-F28 WeakPolarHBondContact O-CD2 3.28Å; Q24-F28 WeakPolarHBondContact O-CE2 3.44Å; S25-F28 PolarHBondContact O-N 3.45Å; S25-F28 VanDerWaalsContact O-N 3.14Å; V26-F28 PolarHBondContact O-N 2.94Å; V26-F28 VanDerWaalsContact O-N 3.11Å; F28-R36 VanDerWaalsContact O-CD 3.26Å; F28-R36 WeakPolarHBondContact O-CD 3.43Å; F28-R36 VanDerWaalsContact O-CG 3.24Å; F28-R36 WeakPolarHBondContact O-CG 3.43Å; F28-L37 WeakPolarHBondContact CA-O 3.35Å; F28-L37 HydrophobicContact CD1-CB 3.74Å; F28-L37 HydrophobicContact CD1-CD1 4.21Å; F28-L37 HydrophobicContact CE1-CB 4.03Å; F28-L37 HydrophobicContact CE1-CD1 3.7Å; F28-L37 HydrophobicContact CZ-CD1 4.37Å; F28-V153 HydrophobicContact CZ-CG1 4.22Å; F28-V153 HydrophobicContact CZ-CG2 4.46Å; F28-F187 HydrophobicContact CD1-CE2 4.04Å; F28-F187 HydrophobicContact CD1-CZ 4.03Å; F28-F187 HydrophobicContact CE1-CE2 4.25Å; F28-F187 HydrophobicContact CE1-CZ 4.17Å; F28-F191 HydrophobicContact CD2-CB 4.04Å; F28-F191 AromaticContact CD2-CD1 4Å; F28-F191 HydrophobicContact CD2-CD1 4Å; F28-F191 HydrophobicContact CD2-CD2 4.26Å; F28-F191 AromaticContact CD2-CG 3.82Å; F28-F191 HydrophobicContact CD2-CG 3.82Å; F28-F191 HydrophobicContact CE2-CB 4.22Å; F28-F191 AromaticContact CE2-CD1 3.85Å; F28-F191 HydrophobicContact CE2-CD1 3.85Å; F28-F191 AromaticContact CE2-CD2 3.57Å; F28-F191 HydrophobicContact CE2-CD2 3.57Å; F28-F191 HydrophobicContact CE2-CE1 4.09Å; F28-F191 AromaticContact CE2-CE2 3.82Å; F28-F191 HydrophobicContact CE2-CE2 3.82Å; F28-F191 AromaticContact CE2-CG 3.58Å; F28-F191 HydrophobicContact CE2-CG 3.58Å; F28-F191 HydrophobicContact CE2-CZ 4.08Å; F28-F191 HydrophobicContact CZ-CD2 4Å; F28-F191 HydrophobicContact CZ-CE2 4.23Å; F28-F191 HydrophobicContact CZ-CG 4.38Å; F28-L195 HydrophobicContact CE1-CD1 3.83Å; F28-L195 HydrophobicContact CE1-CD2 3.8Å; F28-L195 HydrophobicContact CE1-CG 4.28Å; F28-L195 HydrophobicContact CZ-CD1 3.89Å; F28-L195 HydrophobicContact CZ-CD2 3.83Å; F28-L195 HydrophobicContact CZ-CG 4.07Å
29K94.5Very high95.3Very high157 Ų15765.6 Ų65.668%0.68336%0.357SS*.Hα-helixtrans-93.6-62.2-174.9-66.9-174.5178.9-1750112.9S25 V26 R36S25-K29 WeakPolarHBondContact O-CB 3.32Å; S25-K29 WeakPolarHBondContact O-CG 3.39Å; S25-K29 PolarHBondContact O-N 3.26Å; V26-K29 PolarHBondContact O-N 3.09Å; K29-R36 WeakPolarHBondContact O-CD 3.42Å
30S94.9Very high95.4Very high81 Ų8159.7 Ų59.757%0.56635%0.351SS*.THydrogen-bonded Turntrans-97.8-30.7-177.151.10000112.8V26V26-S30 WeakPolarHBondContact CG1-OG 3.39Å; V26-S30 PolarHBondContact O-N 2.84Å; V26-S30 PolarHBondContact O-OG 2.87Å
31G95.5Very high95.5Very high13 Ų1362 Ų6213%0.13435%0.346CS..  trans83.8175.7-172.200000113.4V26 R35V26-G31 WeakPolarHBondContact O-CA 3.32Å; V26-G31 PolarHBondContact O-N 3.45Å; G31-R35 CarbonylContact C-O 3.59Å; G31-R35 WeakPolarHBondContact CA-O 3.42Å
32I94.9Very high95.5Very high15 Ų1564 Ų648%0.07736%0.362CS..BIsolated β-bridgetrans-127.9133.5174.2-58.1174.6000107.2V26 L27 G34 R35 F63 T66 L148 P149 L151V26-I32 HydrophobicContact CG1-CG1 4.09Å; L27-I32 HydrophobicContact CD2-CD1 3.32Å; L27-I32 HydrophobicContact CD2-CG1 4.14Å; I32-G34 PolarHBondContact O-N 2.98Å; I32-R35 PolarHBondContact N-O 3.28Å; I32-R35 WeakPolarHBondContact O-CA 3.32Å; I32-R35 WeakPolarHBondContact O-CB 3.49Å; I32-R35 PolarHBondContact O-N 3.26Å; I32-F63 HydrophobicContact CB-CE1 4.03Å; I32-T66 HydrophobicContact CG2-CG2 4.25Å; I32-L148 HydrophobicContact CD1-CD1 3.81Å; I32-L148 HydrophobicContact CG2-CD1 3.8Å; I32-P149 HydrophobicContact CD1-CG 3.57Å; I32-L151 HydrophobicContact CD1-CD2 4.26Å
33D90.4Very high95.6Very high112 Ų11262 Ų6260%0.59935%0.35SS*.THydrogen-bonded Turntrans50.741.7-178.2-51.1-31000113R35 T66D33-R35 PolarHBondContact O-N 3.03Å; D33-R35 VanDerWaalsContact O-N 3.16Å; D33-R35 IonicContact OD2-NH2 2.7Å; D33-R35 PolarHBondContact OD2-NH2 3.01Å; D33-T66 PolarHBondContact OD2-OG1 3.42Å
34G92.2Very high95.7Very high85 Ų8562.8 Ų62.888%0.87635%0.347SS*.THydrogen-bonded Turntrans721.3-176.900000115.2I32I32-G34 PolarHBondContact O-N 2.98Å
35R94.3Very high95.9Very high101 Ų10161.4 Ų61.438%0.38134%0.34SS..BIsolated β-bridgetrans-100.3112.7179.5-67.5173.7-79.6-140.4-0.4110.8G31 I32 D33 G62 F63 T66G31-R35 CarbonylContact C-O 3.59Å; G31-R35 WeakPolarHBondContact CA-O 3.42Å; I32-R35 PolarHBondContact N-O 3.28Å; I32-R35 WeakPolarHBondContact O-CA 3.32Å; I32-R35 WeakPolarHBondContact O-CB 3.49Å; I32-R35 PolarHBondContact O-N 3.26Å; D33-R35 PolarHBondContact O-N 3.03Å; D33-R35 VanDerWaalsContact O-N 3.16Å; D33-R35 IonicContact OD2-NH2 2.7Å; D33-R35 PolarHBondContact OD2-NH2 3.01Å; R35-G62 WeakPolarHBondContact CD-O 3.38Å; R35-G62 PolarHBondContact NE-O 2.87Å; R35-G62 PolarHBondContact NH1-O 3.45Å; R35-F63 HydrophobicContact CB-CE1 4.01Å; R35-T66 PolarHBondContact NH2-OG1 3.06Å
36R96.6Very high96Very high114 Ų11461.8 Ų61.843%0.4334%0.341SS..  trans-111126.9174.8-178170.372.9-135.49.3110.7F28 K29 K38F28-R36 VanDerWaalsContact O-CD 3.26Å; F28-R36 WeakPolarHBondContact O-CD 3.43Å; F28-R36 VanDerWaalsContact O-CG 3.24Å; F28-R36 WeakPolarHBondContact O-CG 3.43Å; K29-R36 WeakPolarHBondContact O-CD 3.42Å; R36-K38 HydrophobicContact CG-CG 4.48Å
37L97.6Very high96.1Very high10 Ų1060.8 Ų60.85%0.05234%0.335CS..  trans-74.4128171.2-60.3-177.4000109.5L27 F28 Y43 F60 F63 F187L27-L37 HydrophobicContact CB-CD1 4.27Å; L27-L37 PolarHBondContact O-N 3.38Å; F28-L37 WeakPolarHBondContact CA-O 3.35Å; F28-L37 HydrophobicContact CD1-CB 3.74Å; F28-L37 HydrophobicContact CD1-CD1 4.21Å; F28-L37 HydrophobicContact CE1-CB 4.03Å; F28-L37 HydrophobicContact CE1-CD1 3.7Å; F28-L37 HydrophobicContact CZ-CD1 4.37Å; L37-Y43 WeakPolarHBondContact CA-OH 3.43Å; L37-Y43 HydrophobicContact CD2-CD1 3.9Å; L37-Y43 HydrophobicContact CD2-CE1 3.62Å; L37-Y43 HydrophobicContact CD2-CE2 4.38Å; L37-Y43 HydrophobicContact CD2-CG 4.39Å; L37-F60 HydrophobicContact CD1-CD1 3.83Å; L37-F60 HydrophobicContact CD1-CD2 3.72Å; L37-F60 HydrophobicContact CD1-CE1 3.76Å; L37-F60 HydrophobicContact CD1-CE2 3.64Å; L37-F60 HydrophobicContact CD1-CG 3.83Å; L37-F60 HydrophobicContact CD1-CZ 3.66Å; L37-F60 HydrophobicContact CD2-CD1 3.62Å; L37-F60 HydrophobicContact CD2-CE1 3.98Å; L37-F60 HydrophobicContact CD2-CG 4.09Å; L37-F60 HydrophobicContact CG-CD1 4.39Å; L37-F60 HydrophobicContact CG-CE1 4.47Å; L37-F63 HydrophobicContact CD1-CE2 3.9Å; L37-F63 HydrophobicContact CD2-CE2 4.04Å; L37-F63 HydrophobicContact CD2-CZ 4.33Å; L37-F63 HydrophobicContact CG-CE2 3.9Å; L37-F63 HydrophobicContact CG-CZ 4.13Å; L37-F187 HydrophobicContact CB-CE1 4.33Å; L37-F187 HydrophobicContact CB-CZ 3.95Å
38K97.3Very high96.2Very high78 Ų7861 Ų6134%0.33934%0.338SS..  trans-122133-178.6-61.2-176.5-176.1-1780109.5R36 R41 Y43 F187R36-K38 HydrophobicContact CG-CG 4.48Å; K38-R41 HydrophobicContact CB-CG 4.4Å; K38-R41 PolarHBondContact O-N 3.48Å; K38-Y43 PolarHBondContact N-OH 3.39Å; K38-Y43 WeakPolarHBondContact O-CE2 3.46Å; K38-F187 WeakPolarHBondContact O-CZ 3.36Å
39A97Very high96.3Very high37 Ų3760.9 Ų60.931%0.30634%0.339SS..THydrogen-bonded Turntrans-56.5153.7174.600000111.6R41 F187 P189A39-R41 PolarHBondContact O-N 3.42Å; A39-F187 VanDerWaalsContact CA-CE2 3.48Å; A39-F187 HydrophobicContact CB-CD2 4.08Å; A39-F187 HydrophobicContact CB-CE2 3.87Å; A39-P189 HydrophobicContact CB-CB 4.2Å; A39-P189 HydrophobicContact CB-CG 3.82Å
40G93Very high96.5Very high68 Ų6854.8 Ų54.870%0.70131%0.312SS*.THydrogen-bonded Turntrans74.7-8.8-177.900000115.6F187G40-F187 PolarHBondContact N-O 2.99Å
41R97.4Very high96.6Very high134 Ų13454.7 Ų54.751%0.50630%0.304SS..  trans-86.7155.2169.7-62.9-173.3177.9-163.8-6.6110.9K38 A39 Y43 S186K38-R41 HydrophobicContact CB-CG 4.4Å; K38-R41 PolarHBondContact O-N 3.48Å; A39-R41 PolarHBondContact O-N 3.42Å; R41-Y43 HydrophobicContact CB-CD2 4.34Å; R41-Y43 HydrophobicContact CB-CE2 3.58Å; R41-S186 WeakPolarHBondContact O-CA 3.37Å; R41-S186 WeakPolarHBondContact O-CB 3.5Å
42V98.3Very high96.6Very high73 Ų7355.1 Ų55.144%0.44231%0.305SS..EExtended strand (participates in β ladder)trans-98.3132.9171.5-178.20000108.7M184 L185 M204V42-M184 HydrophobicContact CG1-CB 3.75Å; V42-M184 HydrophobicContact CG1-CG 4.43Å; V42-L185 CarbonylContact C-O 3.2Å; V42-L185 WeakPolarHBondContact CA-O 3.45Å; V42-M204 HydrophobicContact CG1-CE 4.2Å; V42-M204 HydrophobicContact CG2-CE 4.37Å
43Y98.6Very high96.7Very high41 Ų4154.4 Ų54.416%0.16130%0.301CS..EExtended strand (participates in β ladder)trans-124.3143.3179.1-65.9-85.2000110.5L37 K38 R41 F60 M184 L185 F187L37-Y43 WeakPolarHBondContact CA-OH 3.43Å; L37-Y43 HydrophobicContact CD2-CD1 3.9Å; L37-Y43 HydrophobicContact CD2-CE1 3.62Å; L37-Y43 HydrophobicContact CD2-CE2 4.38Å; L37-Y43 HydrophobicContact CD2-CG 4.39Å; K38-Y43 PolarHBondContact N-OH 3.39Å; K38-Y43 WeakPolarHBondContact O-CE2 3.46Å; R41-Y43 HydrophobicContact CB-CD2 4.34Å; R41-Y43 HydrophobicContact CB-CE2 3.58Å; Y43-F60 HydrophobicContact CD1-CD1 4.27Å; Y43-F60 HydrophobicContact CD2-CD1 4.41Å; Y43-F60 AromaticContact CD2-CE1 3.96Å; Y43-F60 HydrophobicContact CD2-CE1 3.96Å; Y43-F60 AromaticContact CG-CD1 3.87Å; Y43-F60 HydrophobicContact CG-CD1 3.87Å; Y43-F60 AromaticContact CG-CE1 3.87Å; Y43-F60 HydrophobicContact CG-CE1 3.87Å; Y43-M184 CarbonylContact O-C 3.52Å; Y43-M184 WeakPolarHBondContact O-CA 3.18Å; Y43-L185 PolarHBondContact N-O 2.85Å; Y43-L185 PolarHBondContact O-N 3.16Å; Y43-F187 HydrophobicContact CD2-CD1 4.45Å; Y43-F187 AromaticContact CD2-CE1 3.87Å; Y43-F187 HydrophobicContact CD2-CE1 3.87Å; Y43-F187 AromaticContact CE2-CE1 3.61Å; Y43-F187 HydrophobicContact CE2-CE1 3.61Å; Y43-F187 HydrophobicContact CE2-CZ 4.3Å
44E98.5Very high96.9Very high86 Ų8650.2 Ų50.240%0.40228%0.28SS..EExtended strand (participates in β ladder)trans-73.7130.4163.1-175.8166.7-155.100109.9H61 M184E44-H61 HydrophobicContact CB-CB 4.13Å; E44-H61 HydrophobicContact CG-CB 4.05Å; E44-H61 WeakPolarHBondContact O-CB 3.41Å; E44-H61 PolarHBondContact O-N 3.08Å; E44-H61 IonicContact OE2-CD2 3.15Å; E44-M184 HydrophobicContact CB-CE 3.72Å; E44-M184 HydrophobicContact CB-SD 3.96Å; E44-M184 HydrophobicContact CG-CE 3.62Å; E44-M184 HydrophobicContact CG-SD 4.47Å
45V98.7Very high97.1Very high0 Ų049.1 Ų49.10%025%0.252CS..EExtended strand (participates in β ladder)trans-134.1153.5179.6-56.30000110.4V58 V59 F60 A182 F183 L185 L199V45-V58 HydrophobicContact CB-CB 4.1Å; V45-V58 HydrophobicContact CG1-CG2 4.47Å; V45-V58 HydrophobicContact CG2-CB 4.2Å; V45-V58 HydrophobicContact CG2-CG1 4.19Å; V45-V59 CarbonylContact C-O 3.57Å; V45-V59 WeakPolarHBondContact CA-O 3.45Å; V45-F60 HydrophobicContact CG1-CD1 3.72Å; V45-F60 HydrophobicContact CG1-CE1 3.92Å; V45-F60 HydrophobicContact CG1-CG 4.03Å; V45-F60 HydrophobicContact CG1-CZ 4.4Å; V45-A182 CarbonylContact O-C 3.53Å; V45-A182 WeakPolarHBondContact O-CA 3.33Å; V45-F183 HydrophobicContact CG2-CB 4.32Å; V45-F183 PolarHBondContact N-O 3.11Å; V45-F183 PolarHBondContact O-N 3.23Å; V45-L185 HydrophobicContact CB-CB 4.48Å; V45-L185 HydrophobicContact CG1-CB 3.85Å; V45-L185 HydrophobicContact CG1-CD1 4.34Å; V45-L185 HydrophobicContact CG2-CB 3.73Å; V45-L185 HydrophobicContact CG2-CD1 4.03Å; V45-L199 HydrophobicContact CG2-CD1 4.46Å
46T98.3Very high97.3Very high40 Ų4044.3 Ų44.325%0.24523%0.234CC..EExtended strand (participates in β ladder)trans-108.4137.7169.9-66.10000109.7G48 V58 V59 R180 C181T46-G48 PolarHBondContact O-N 3.48Å; T46-G48 VanDerWaalsContact O-N 3.1Å; T46-V58 CarbonylContact O-C 3.57Å; T46-V58 WeakPolarHBondContact O-CA 3.35Å; T46-V59 PolarHBondContact N-O 3.14Å; T46-V59 PolarHBondContact O-N 3.36Å; T46-R180 VanDerWaalsContact CG2-CA 3.43Å; T46-R180 HydrophobicContact CG2-CB 4.4Å; T46-C181 WeakPolarHBondContact CA-O 3.45Å
47I98.6Very high97.4Very high0 Ų039.2 Ų39.20%022%0.215CC..EExtended strand (participates in β ladder)trans-65.4111.6171.2-56.9-56.6000109.1W50 F56 V58 C177 R178 R179 R180 C181 F183I47-W50 HydrophobicContact CD1-CE3 4.31Å; I47-W50 HydrophobicContact CG2-CB 4.01Å; I47-F56 HydrophobicContact CD1-CD2 4.46Å; I47-V58 HydrophobicContact CD1-CG1 4.22Å; I47-C177 HydrophobicContact CG1-CB 4.43Å; I47-R178 WeakPolarHBondContact CB-O 3.24Å; I47-R179 WeakPolarHBondContact O-CA 3.33Å; I47-R180 PolarHBondContact O-N 2.98Å; I47-C181 PolarHBondContact N-O 3.41Å; I47-F183 HydrophobicContact CD1-CD2 3.8Å; I47-F183 HydrophobicContact CD1-CE2 4.05Å; I47-F183 HydrophobicContact CG1-CD2 3.65Å; I47-F183 HydrophobicContact CG1-CE2 3.59Å
48G98.2Very high97.5Very high7 Ų738.8 Ų38.87%0.07221%0.212CC..EExtended strand (participates in β ladder)trans-77.1-49.2173.100000111.3T46 Y57 S127 R179T46-G48 PolarHBondContact O-N 3.48Å; T46-G48 VanDerWaalsContact O-N 3.1Å; G48-Y57 WeakPolarHBondContact CA-O 3.23Å; G48-Y57 PolarHBondContact N-O 3.31Å; G48-S127 CarbonylContact C-O 3.55Å; G48-S127 WeakPolarHBondContact CA-O 3.12Å; G48-R179 VanDerWaalsContact O-CG 3.31Å; G48-R179 WeakPolarHBondContact O-CG 3.18Å
49N98.3Very high97.5Very high27 Ų2735.9 Ų35.914%0.14420%0.201CC..EExtended strand (participates in β ladder)trans-151.6145.5175.3-174.434000110.2L51 Y57 S127 G128 E129 P130N49-L51 VanDerWaalsContact ND2-CD1 3.27Å; N49-L51 WeakPolarHBondContact ND2-CD1 3.45Å; N49-Y57 HydrophobicContact CB-CD2 4.15Å; N49-Y57 PolarHBondContact N-O 3.31Å; N49-Y57 VanDerWaalsContact N-O 3.16Å; N49-Y57 PolarHBondContact O-N 3.24Å; N49-S127 PolarHBondContact N-O 2.86Å; N49-G128 PolarHBondContact ND2-O 3.01Å; N49-E129 HydrophobicContact CB-CB 4.49Å; N49-P130 VanDerWaalsContact ND2-CD 3.33Å; N49-P130 WeakPolarHBondContact ND2-CD 3.3Å
50W98.1Very high97.6Very high29 Ų2934.2 Ų34.211%0.1119%0.187CC..EExtended strand (participates in β ladder)trans-127.6122.9-178.2-177.2-88.7000110.3I47 P53 F56 M157 F173 C177 L199I47-W50 HydrophobicContact CD1-CE3 4.31Å; I47-W50 HydrophobicContact CG2-CB 4.01Å; W50-P53 HydrophobicContact CZ2-CG 4.02Å; W50-F56 HydrophobicContact CD2-CB 4.1Å; W50-F56 HydrophobicContact CE3-CB 3.47Å; W50-F56 VanDerWaalsContact CE3-CB 3.47Å; W50-F56 HydrophobicContact CE3-CD1 4.33Å; W50-F56 AromaticContact CE3-CD2 3.9Å; W50-F56 HydrophobicContact CE3-CD2 3.9Å; W50-F56 AromaticContact CE3-CG 3.66Å; W50-F56 HydrophobicContact CE3-CG 3.66Å; W50-F56 HydrophobicContact CH2-CD1 4.25Å; W50-F56 HydrophobicContact CH2-CG 4.36Å; W50-F56 HydrophobicContact CZ3-CB 3.86Å; W50-F56 AromaticContact CZ3-CD1 3.82Å; W50-F56 HydrophobicContact CZ3-CD1 3.82Å; W50-F56 AromaticContact CZ3-CD2 3.67Å; W50-F56 HydrophobicContact CZ3-CD2 3.67Å; W50-F56 HydrophobicContact CZ3-CE1 4.25Å; W50-F56 HydrophobicContact CZ3-CE2 4.09Å; W50-F56 AromaticContact CZ3-CG 3.5Å; W50-F56 HydrophobicContact CZ3-CG 3.5Å; W50-F56 HydrophobicContact CZ3-CZ 4.35Å; W50-M157 HydrophobicContact CH2-SD 4.21Å; W50-F173 AromaticContact CH2-CD1 3.94Å; W50-F173 HydrophobicContact CH2-CD1 3.94Å; W50-F173 HydrophobicContact CZ2-CB 3.7Å; W50-F173 AromaticContact CZ2-CD1 3.77Å; W50-F173 HydrophobicContact CZ2-CD1 3.77Å; W50-F173 AromaticContact CZ2-CG 3.99Å; W50-F173 HydrophobicContact CZ2-CG 3.99Å; W50-C177 VanDerWaalsContact CB-O 3.23Å; W50-C177 WeakPolarHBondContact CB-O 3.38Å; W50-C177 HydrophobicContact CD2-CB 3.38Å; W50-C177 HydrophobicContact CE3-CB 3.28Å; W50-C177 HydrophobicContact CG-CB 4.03Å; W50-C177 HydrophobicContact CH2-CB 3.92Å; W50-C177 HydrophobicContact CZ2-CB 4.02Å; W50-C177 HydrophobicContact CZ3-CB 3.56Å; W50-L199 HydrophobicContact CZ3-CD2 4.15Å
51L96.3Very high97.8Very high79 Ų7935.1 Ų35.141%0.41417%0.173SC..EExtended strand (participates in β ladder)trans-110.8-50.9171.7-62.574.4000109.6N49 E55 Y57N49-L51 VanDerWaalsContact ND2-CD1 3.27Å; N49-L51 WeakPolarHBondContact ND2-CD1 3.45Å; L51-E55 VanDerWaalsContact CB-O 3.31Å; L51-E55 WeakPolarHBondContact CB-O 3.38Å; L51-E55 HydrophobicContact CD2-CG 4.42Å; L51-E55 PolarHBondContact N-O 2.92Å; L51-Y57 HydrophobicContact CD1-CD2 4.15Å; L51-Y57 HydrophobicContact CD1-CE2 3.95Å
52S96.1Very high97.8Very high21 Ų2130.8 Ų30.815%0.14717%0.17CC..EExtended strand (participates in β ladder)trans-161.9171.9178.473.60000111.2V54 E55 F56S52-V54 PolarHBondContact O-N 3.45Å; S52-V54 VanDerWaalsContact O-N 3.12Å; S52-V54 WeakPolarHBondContact OG-CG2 3.34Å; S52-V54 PolarHBondContact OG-N 3.31Å; S52-E55 PolarHBondContact N-O 3.03Å; S52-E55 CarbonylContact O-C 3.6Å; S52-E55 PolarHBondContact O-N 3.45Å; S52-E55 VanDerWaalsContact O-N 3.1Å; S52-E55 PolarHBondContact OG-N 2.89Å; S52-F56 WeakPolarHBondContact O-CD1 3.25Å
53P96.4Very high97.7Very high0 Ų027.4 Ų27.40%015%0.149CC..THydrogen-bonded Turntrans-57.3-22.1171-27.537.4000114.7W50 M157 I160 L165 F173W50-P53 HydrophobicContact CZ2-CG 4.02Å; P53-M157 HydrophobicContact CB-CB 4.45Å; P53-M157 HydrophobicContact CB-CG 4.43Å; P53-M157 HydrophobicContact CB-SD 3.87Å; P53-M157 WeakPolarHBondContact O-CB 3.49Å; P53-M157 PolarHBondContact O-N 3.49Å; P53-I160 HydrophobicContact CB-CD1 3.88Å; P53-I160 HydrophobicContact CB-CG1 4.05Å; P53-L165 HydrophobicContact CB-CD2 4.34Å; P53-L165 HydrophobicContact CG-CD2 3.88Å; P53-F173 HydrophobicContact CG-CB 4.3Å; P53-F173 HydrophobicContact CG-CD1 4.1Å; P53-F173 HydrophobicContact CG-CD2 3.51Å; P53-F173 HydrophobicContact CG-CE1 4.27Å; P53-F173 HydrophobicContact CG-CE2 3.72Å; P53-F173 HydrophobicContact CG-CG 3.72Å; P53-F173 HydrophobicContact CG-CZ 4.08Å
54V95.7Very high97.6Very high24 Ų2429.3 Ų29.315%0.14516%0.16CC..THydrogen-bonded Turntrans-98.2-5.7179-600000113.7S52 E156 I160 K162 L165S52-V54 PolarHBondContact O-N 3.45Å; S52-V54 VanDerWaalsContact O-N 3.12Å; S52-V54 WeakPolarHBondContact OG-CG2 3.34Å; S52-V54 PolarHBondContact OG-N 3.31Å; V54-E156 HydrophobicContact CB-CG 4.31Å; V54-E156 HydrophobicContact CG1-CG 4.49Å; V54-I160 HydrophobicContact CG1-CB 4Å; V54-I160 HydrophobicContact CG1-CG2 3.56Å; V54-K162 HydrophobicContact CG1-CG 4.41Å; V54-L165 HydrophobicContact CG1-CD1 4.23Å
55E96.5Very high97.5Very high62 Ų6231.7 Ų31.729%0.2917%0.168SC..EExtended strand (participates in β ladder)trans-154.1109174.1-171.7-175.2171.500110.2L51 S52 Y57 R123L51-E55 VanDerWaalsContact CB-O 3.31Å; L51-E55 WeakPolarHBondContact CB-O 3.38Å; L51-E55 HydrophobicContact CD2-CG 4.42Å; L51-E55 PolarHBondContact N-O 2.92Å; S52-E55 PolarHBondContact N-O 3.03Å; S52-E55 CarbonylContact O-C 3.6Å; S52-E55 PolarHBondContact O-N 3.45Å; S52-E55 VanDerWaalsContact O-N 3.1Å; S52-E55 PolarHBondContact OG-N 2.89Å; E55-Y57 HydrophobicContact CG-CE2 4.29Å; E55-Y57 PolarHBondContact OE1-OH 2.99Å; E55-R123 IonicContact OE1-NH2 2.73Å
56F98.4Very high97.4Very high0 Ų032.3 Ų32.30%017%0.172CC..EExtended strand (participates in β ladder)trans-153.2168.4172.462.3-77.3000110I47 W50 S52 V58 E154 C155 M157 V197 L199I47-F56 HydrophobicContact CD1-CD2 4.46Å; W50-F56 HydrophobicContact CD2-CB 4.1Å; W50-F56 HydrophobicContact CE3-CB 3.47Å; W50-F56 VanDerWaalsContact CE3-CB 3.47Å; W50-F56 HydrophobicContact CE3-CD1 4.33Å; W50-F56 AromaticContact CE3-CD2 3.9Å; W50-F56 HydrophobicContact CE3-CD2 3.9Å; W50-F56 AromaticContact CE3-CG 3.66Å; W50-F56 HydrophobicContact CE3-CG 3.66Å; W50-F56 HydrophobicContact CH2-CD1 4.25Å; W50-F56 HydrophobicContact CH2-CG 4.36Å; W50-F56 HydrophobicContact CZ3-CB 3.86Å; W50-F56 AromaticContact CZ3-CD1 3.82Å; W50-F56 HydrophobicContact CZ3-CD1 3.82Å; W50-F56 AromaticContact CZ3-CD2 3.67Å; W50-F56 HydrophobicContact CZ3-CD2 3.67Å; W50-F56 HydrophobicContact CZ3-CE1 4.25Å; W50-F56 HydrophobicContact CZ3-CE2 4.09Å; W50-F56 AromaticContact CZ3-CG 3.5Å; W50-F56 HydrophobicContact CZ3-CG 3.5Å; W50-F56 HydrophobicContact CZ3-CZ 4.35Å; S52-F56 WeakPolarHBondContact O-CD1 3.25Å; F56-V58 HydrophobicContact CD2-CG1 3.72Å; F56-V58 HydrophobicContact CE2-CG1 3.61Å; F56-E154 CarbonylContact O-C 3.45Å; F56-E154 WeakPolarHBondContact O-CA 3.31Å; F56-C155 HydrophobicContact CD1-CB 4.15Å; F56-C155 VanDerWaalsContact CD1-O 3.25Å; F56-C155 WeakPolarHBondContact CD1-O 3.49Å; F56-C155 HydrophobicContact CD2-CB 3.94Å; F56-C155 HydrophobicContact CE1-CB 3.72Å; F56-C155 WeakPolarHBondContact CE1-O 3.2Å; F56-C155 HydrophobicContact CE2-CB 3.52Å; F56-C155 HydrophobicContact CG-CB 4.25Å; F56-C155 HydrophobicContact CZ-CB 3.41Å; F56-C155 VanDerWaalsContact CZ-CB 3.41Å; F56-C155 PolarHBondContact N-O 2.98Å; F56-C155 VanDerWaalsContact N-O 3.09Å; F56-C155 PolarHBondContact O-N 3.37Å; F56-M157 HydrophobicContact CE1-CG 3.76Å; F56-M157 HydrophobicContact CZ-CG 3.97Å; F56-V197 HydrophobicContact CE1-CG2 4.38Å; F56-V197 HydrophobicContact CE2-CG2 4.44Å; F56-V197 HydrophobicContact CZ-CG2 3.59Å; F56-L199 HydrophobicContact CE2-CD2 4.33Å; F56-L199 HydrophobicContact CZ-CD2 4.47Å
57Y98.7Very high97.4Very high8 Ų831.6 Ų31.63%0.03117%0.167CC..EExtended strand (participates in β ladder)trans-126.1131.9-175.7-61-99.6000109.6G48 N49 L51 E55 R123 V153 E154G48-Y57 WeakPolarHBondContact CA-O 3.23Å; G48-Y57 PolarHBondContact N-O 3.31Å; N49-Y57 HydrophobicContact CB-CD2 4.15Å; N49-Y57 PolarHBondContact N-O 3.31Å; N49-Y57 VanDerWaalsContact N-O 3.16Å; N49-Y57 PolarHBondContact O-N 3.24Å; L51-Y57 HydrophobicContact CD1-CD2 4.15Å; L51-Y57 HydrophobicContact CD1-CE2 3.95Å; E55-Y57 HydrophobicContact CG-CE2 4.29Å; E55-Y57 PolarHBondContact OE1-OH 2.99Å; Y57-R123 PolarHBondContact OH-NH1 3.18Å; Y57-R123 PolarHBondContact OH-NH2 2.81Å; Y57-V153 WeakPolarHBondContact CA-O 3.45Å; Y57-E154 HydrophobicContact CD1-CB 4.01Å; Y57-E154 HydrophobicContact CD1-CG 4.46Å; Y57-E154 HydrophobicContact CE1-CB 3.61Å; Y57-E154 HydrophobicContact CE1-CG 3.82Å; Y57-E154 PolarHBondContact OH-OE2 2.9Å
58V98.7Very high97.3Very high0 Ų036.7 Ų36.70%019%0.191CC..EExtended strand (participates in β ladder)trans-119.7151.1178.1-57.30000110.6V45 T46 I47 F56 F60 A152 V153 C155 L185V45-V58 HydrophobicContact CB-CB 4.1Å; V45-V58 HydrophobicContact CG1-CG2 4.47Å; V45-V58 HydrophobicContact CG2-CB 4.2Å; V45-V58 HydrophobicContact CG2-CG1 4.19Å; T46-V58 CarbonylContact O-C 3.57Å; T46-V58 WeakPolarHBondContact O-CA 3.35Å; I47-V58 HydrophobicContact CD1-CG1 4.22Å; F56-V58 HydrophobicContact CD2-CG1 3.72Å; F56-V58 HydrophobicContact CE2-CG1 3.61Å; V58-F60 HydrophobicContact CG2-CD2 4.48Å; V58-F60 HydrophobicContact CG2-CE2 4.03Å; V58-A152 CarbonylContact O-C 3.5Å; V58-A152 WeakPolarHBondContact O-CA 3.39Å; V58-V153 HydrophobicContact CG2-CB 4.42Å; V58-V153 PolarHBondContact N-O 3.14Å; V58-V153 PolarHBondContact O-N 3.11Å; V58-C155 VanDerWaalsContact CG2-SG 3.57Å; V58-L185 HydrophobicContact CG1-CD1 4.05Å; V58-L185 HydrophobicContact CG2-CD1 4.05Å
59V98.3Very high97.3Very high18 Ų1838.7 Ų38.711%0.10920%0.2CC..EExtended strand (participates in β ladder)trans-115.5124168.9-1770000107.2V45 T46 H61 L67 D126 A152V45-V59 CarbonylContact C-O 3.57Å; V45-V59 WeakPolarHBondContact CA-O 3.45Å; T46-V59 PolarHBondContact N-O 3.14Å; T46-V59 PolarHBondContact O-N 3.36Å; V59-H61 PolarHBondContact O-N 2.9Å; V59-L67 HydrophobicContact CG1-CD2 4.37Å; V59-D126 VanDerWaalsContact CG2-O 3.28Å; V59-D126 WeakPolarHBondContact CG2-O 3.42Å; V59-A152 HydrophobicContact CG2-CB 4.18Å
60F98.2Very high97.3Very high2 Ų238.2 Ų38.21%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-72127.2178.6-71.1-103000109.7L37 Y43 V45 V58 G62 F63 V153 L185 F187 L195L37-F60 HydrophobicContact CD1-CD1 3.83Å; L37-F60 HydrophobicContact CD1-CD2 3.72Å; L37-F60 HydrophobicContact CD1-CE1 3.76Å; L37-F60 HydrophobicContact CD1-CE2 3.64Å; L37-F60 HydrophobicContact CD1-CG 3.83Å; L37-F60 HydrophobicContact CD1-CZ 3.66Å; L37-F60 HydrophobicContact CD2-CD1 3.62Å; L37-F60 HydrophobicContact CD2-CE1 3.98Å; L37-F60 HydrophobicContact CD2-CG 4.09Å; L37-F60 HydrophobicContact CG-CD1 4.39Å; L37-F60 HydrophobicContact CG-CE1 4.47Å; Y43-F60 HydrophobicContact CD1-CD1 4.27Å; Y43-F60 HydrophobicContact CD2-CD1 4.41Å; Y43-F60 AromaticContact CD2-CE1 3.96Å; Y43-F60 HydrophobicContact CD2-CE1 3.96Å; Y43-F60 AromaticContact CG-CD1 3.87Å; Y43-F60 HydrophobicContact CG-CD1 3.87Å; Y43-F60 AromaticContact CG-CE1 3.87Å; Y43-F60 HydrophobicContact CG-CE1 3.87Å; V45-F60 HydrophobicContact CG1-CD1 3.72Å; V45-F60 HydrophobicContact CG1-CE1 3.92Å; V45-F60 HydrophobicContact CG1-CG 4.03Å; V45-F60 HydrophobicContact CG1-CZ 4.4Å; V58-F60 HydrophobicContact CG2-CD2 4.48Å; V58-F60 HydrophobicContact CG2-CE2 4.03Å; F60-G62 PolarHBondContact O-N 2.92Å; F60-G62 VanDerWaalsContact O-N 3.14Å; F60-F63 HydrophobicContact CB-CD2 3.85Å; F60-F63 HydrophobicContact CB-CE2 4.24Å; F60-F63 PolarHBondContact O-N 2.88Å; F60-V153 HydrophobicContact CD2-CG2 4.28Å; F60-V153 HydrophobicContact CE2-CB 4.18Å; F60-V153 HydrophobicContact CE2-CG2 3.94Å; F60-L185 HydrophobicContact CE1-CD2 4.27Å; F60-L185 HydrophobicContact CZ-CD2 4.13Å; F60-F187 HydrophobicContact CE1-CE1 4.31Å; F60-F187 HydrophobicContact CZ-CD1 4.48Å; F60-F187 HydrophobicContact CZ-CE1 4.4Å; F60-L195 HydrophobicContact CE2-CD1 4.28Å; F60-L195 HydrophobicContact CZ-CD1 3.96Å
61H97.6Very high97.3Very high86 Ų8639.7 Ų39.740%0.39821%0.205SC..G310 helixtrans-58.7-30.5-178-177.863000112E44 V59 F63 E64E44-H61 HydrophobicContact CB-CB 4.13Å; E44-H61 HydrophobicContact CG-CB 4.05Å; E44-H61 WeakPolarHBondContact O-CB 3.41Å; E44-H61 PolarHBondContact O-N 3.08Å; E44-H61 IonicContact OE2-CD2 3.15Å; V59-H61 PolarHBondContact O-N 2.9Å; H61-F63 PolarHBondContact O-N 3.21Å; H61-E64 IonicContact CE1-OE2 2.81Å; H61-E64 PolarHBondContact CE1-OE2 3.15Å; H61-E64 IonicContact CG-OE2 3.6Å; H61-E64 IonicContact ND1-OE2 3.37Å; H61-E64 PolarHBondContact ND1-OE2 3.17Å; H61-E64 VanDerWaalsContact O-CB 3.3Å; H61-E64 WeakPolarHBondContact O-CB 3.31Å; H61-E64 PolarHBondContact O-N 2.85Å
62G96.8Very high97.4Very high43 Ų4342.4 Ų42.444%0.44321%0.21SC..G310 helixtrans-58.8-15174.100000115.8R35 F60R35-G62 WeakPolarHBondContact CD-O 3.38Å; R35-G62 PolarHBondContact NE-O 2.87Å; R35-G62 PolarHBondContact NH1-O 3.45Å; F60-G62 PolarHBondContact O-N 2.92Å; F60-G62 VanDerWaalsContact O-N 3.14Å
63F97.5Very high97.4Very high2 Ų244.9 Ų44.91%0.00922%0.222CC..G310 helixtrans-1099.8175.2-58.8-56.7000113.6L27 I32 R35 L37 F60 H61 K65 T66 L67L27-F63 HydrophobicContact CD2-CD2 4.28Å; L27-F63 HydrophobicContact CD2-CE1 4.48Å; L27-F63 HydrophobicContact CD2-CE2 3.7Å; L27-F63 HydrophobicContact CD2-CZ 3.82Å; I32-F63 HydrophobicContact CB-CE1 4.03Å; R35-F63 HydrophobicContact CB-CE1 4.01Å; L37-F63 HydrophobicContact CD1-CE2 3.9Å; L37-F63 HydrophobicContact CD2-CE2 4.04Å; L37-F63 HydrophobicContact CD2-CZ 4.33Å; L37-F63 HydrophobicContact CG-CE2 3.9Å; L37-F63 HydrophobicContact CG-CZ 4.13Å; F60-F63 HydrophobicContact CB-CD2 3.85Å; F60-F63 HydrophobicContact CB-CE2 4.24Å; F60-F63 PolarHBondContact O-N 2.88Å; H61-F63 PolarHBondContact O-N 3.21Å; F63-K65 PolarHBondContact O-N 3.44Å; F63-T66 WeakPolarHBondContact O-CB 3.14Å; F63-T66 PolarHBondContact O-N 3.21Å; F63-L67 PolarHBondContact O-N 3.3Å
64E95.5Very high97.4Very high82 Ų8245 Ų4538%0.38322%0.222SC..Hα-helixtrans-60.2-48.7-177.8-177.7164-153.100112.1H61 T66 L67 E68H61-E64 IonicContact CE1-OE2 2.81Å; H61-E64 PolarHBondContact CE1-OE2 3.15Å; H61-E64 IonicContact CG-OE2 3.6Å; H61-E64 IonicContact ND1-OE2 3.37Å; H61-E64 PolarHBondContact ND1-OE2 3.17Å; H61-E64 VanDerWaalsContact O-CB 3.3Å; H61-E64 WeakPolarHBondContact O-CB 3.31Å; H61-E64 PolarHBondContact O-N 2.85Å; E64-T66 VanDerWaalsContact C-N 3.3Å; E64-T66 PolarHBondContact O-N 3.01Å; E64-L67 CarbonylContact O-C 3.51Å; E64-L67 WeakPolarHBondContact O-CA 3.45Å; E64-L67 WeakPolarHBondContact O-CB 3.36Å; E64-L67 PolarHBondContact O-N 3.45Å; E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.28Å
65K96.6Very high97.4Very high135 Ų13545.8 Ų45.859%0.58723%0.225SC*.Hα-helixtrans-58.1-42.3175.5-176.5175.6179.2-178.10112.3F63 L67 E68 D69F63-K65 PolarHBondContact O-N 3.44Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 3.27Å; K65-E68 PolarHBondContact O-N 3.34Å; K65-D69 WeakPolarHBondContact O-CB 3.46Å; K65-D69 VanDerWaalsContact O-CG 3.32Å; K65-D69 PolarHBondContact O-N 2.94Å
66T97.5Very high97.4Very high13 Ų1351 Ų518%0.0825%0.247CC..Hα-helixtrans-61.5-39.2176.3-52.50000111.1I32 D33 R35 F63 E64 L70 L148I32-T66 HydrophobicContact CG2-CG2 4.25Å; D33-T66 PolarHBondContact OD2-OG1 3.42Å; R35-T66 PolarHBondContact NH2-OG1 3.06Å; F63-T66 WeakPolarHBondContact O-CB 3.14Å; F63-T66 PolarHBondContact O-N 3.21Å; E64-T66 VanDerWaalsContact C-N 3.3Å; E64-T66 PolarHBondContact O-N 3.01Å; T66-L70 VanDerWaalsContact O-CB 3.25Å; T66-L70 WeakPolarHBondContact O-CB 3.35Å; T66-L70 PolarHBondContact O-N 3.14Å; T66-L148 HydrophobicContact CG2-CD1 3.92Å; T66-L148 HydrophobicContact CG2-CD2 3.97Å
67L97.3Very high97.1Very high25 Ų2553.7 Ų53.713%0.13126%0.259CS..Hα-helixtrans-67.7-41.2174.8178.356.9000112.3V59 F63 E64 K65 L70 Q71 D126 L151V59-L67 HydrophobicContact CG1-CD2 4.37Å; F63-L67 PolarHBondContact O-N 3.3Å; E64-L67 CarbonylContact O-C 3.51Å; E64-L67 WeakPolarHBondContact O-CA 3.45Å; E64-L67 WeakPolarHBondContact O-CB 3.36Å; E64-L67 PolarHBondContact O-N 3.45Å; K65-L67 VanDerWaalsContact C-N 3.29Å; K65-L67 PolarHBondContact O-N 3.27Å; L67-L70 HydrophobicContact CD1-CD2 4.4Å; L67-Q71 HydrophobicContact CD1-CG 4.09Å; L67-Q71 WeakPolarHBondContact O-CB 3.34Å; L67-Q71 VanDerWaalsContact O-CG 3.27Å; L67-Q71 WeakPolarHBondContact O-CG 3.33Å; L67-Q71 PolarHBondContact O-N 3.35Å; L67-D126 HydrophobicContact CD1-CB 3.62Å; L67-L151 HydrophobicContact CB-CD1 3.74Å; L67-L151 HydrophobicContact CD1-CD1 4.1Å; L67-L151 HydrophobicContact CG-CD1 4.43Å
68E97.5Very high96.7Very high107 Ų10753.7 Ų53.750%0.526%0.259SS..Hα-helixtrans-63.3-46.3176.8-70.8177.6159.700111.9E64 K65 Q71 R72E64-E68 WeakPolarHBondContact O-CG 3.42Å; E64-E68 PolarHBondContact O-N 3.28Å; K65-E68 PolarHBondContact O-N 3.34Å; E68-Q71 PolarHBondContact O-N 3.45Å; E68-R72 WeakPolarHBondContact O-CB 3.34Å; E68-R72 PolarHBondContact O-N 2.91Å
69D98Very high96.3Very high50 Ų5056.4 Ų56.427%0.26728%0.282SS..Hα-helixtrans-60.6-49.3176.7-72.8-31.2000110.6K65 Q71 R72 D73K65-D69 WeakPolarHBondContact O-CB 3.46Å; K65-D69 VanDerWaalsContact O-CG 3.32Å; K65-D69 PolarHBondContact O-N 2.94Å; D69-Q71 VanDerWaalsContact C-N 3.35Å; D69-Q71 PolarHBondContact O-N 2.94Å; D69-R72 PolarHBondContact O-N 3.1Å; D69-R72 IonicContact OD1-CZ 2.79Å; D69-R72 IonicContact OD1-NH1 3.17Å; D69-R72 PolarHBondContact OD1-NH1 3.4Å; D69-R72 IonicContact OD1-NH2 2.8Å; D69-R72 PolarHBondContact OD1-NH2 3.09Å; D69-D73 PolarHBondContact O-N 3.02Å
70L98Very high95.6Very high17 Ų1760.9 Ų60.99%0.08931%0.305CS..Hα-helixtrans-54.9-48.8173.9170.767.9000111.7T66 L67 R72 D73 L74 R106 F145 L148T66-L70 VanDerWaalsContact O-CB 3.25Å; T66-L70 WeakPolarHBondContact O-CB 3.35Å; T66-L70 PolarHBondContact O-N 3.14Å; L67-L70 HydrophobicContact CD1-CD2 4.4Å; L70-R72 VanDerWaalsContact C-N 3.35Å; L70-R72 PolarHBondContact O-N 3.43Å; L70-D73 PolarHBondContact O-N 2.81Å; L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 PolarHBondContact O-N 3.3Å; L70-R106 HydrophobicContact CD2-CG 4.47Å; L70-R106 VanDerWaalsContact CD2-NE 3.31Å; L70-F145 HydrophobicContact CD1-CD1 3.84Å; L70-L148 HydrophobicContact CB-CD2 4.42Å; L70-L148 HydrophobicContact CD2-CD2 3.79Å; L70-L148 HydrophobicContact CG-CD2 4.48Å
71Q97.8Very high94.7Very high59 Ų5961.9 Ų61.928%0.27631%0.312SS..Hα-helixtrans-63.8-41.3-177.8-79179.85.300111.6L67 E68 D69 N75L67-Q71 HydrophobicContact CD1-CG 4.09Å; L67-Q71 WeakPolarHBondContact O-CB 3.34Å; L67-Q71 VanDerWaalsContact O-CG 3.27Å; L67-Q71 WeakPolarHBondContact O-CG 3.33Å; L67-Q71 PolarHBondContact O-N 3.35Å; E68-Q71 PolarHBondContact O-N 3.45Å; D69-Q71 VanDerWaalsContact C-N 3.35Å; D69-Q71 PolarHBondContact O-N 2.94Å; Q71-N75 VanDerWaalsContact O-CB 3.29Å; Q71-N75 WeakPolarHBondContact O-CB 3.32Å; Q71-N75 PolarHBondContact O-N 2.97Å; Q71-N75 PolarHBondContact O-ND2 2.81Å
72R97.8Very high93.3Very high136 Ų13662.5 Ų62.551%0.51332%0.322SS..Hα-helixtrans-59.9-50.6175.5177.4-17160.2-121.5-4.7110.8E68 D69 L70 N75 K76E68-R72 WeakPolarHBondContact O-CB 3.34Å; E68-R72 PolarHBondContact O-N 2.91Å; D69-R72 PolarHBondContact O-N 3.1Å; D69-R72 IonicContact OD1-CZ 2.79Å; D69-R72 IonicContact OD1-NH1 3.17Å; D69-R72 PolarHBondContact OD1-NH1 3.4Å; D69-R72 IonicContact OD1-NH2 2.8Å; D69-R72 PolarHBondContact OD1-NH2 3.09Å; L70-R72 VanDerWaalsContact C-N 3.35Å; L70-R72 PolarHBondContact O-N 3.43Å; R72-N75 PolarHBondContact O-N 2.88Å; R72-K76 WeakPolarHBondContact O-CB 3.22Å; R72-K76 PolarHBondContact O-N 3.22Å
73D97.1Very high91.7Very high74 Ų7462.8 Ų62.840%0.39632%0.32SS..Hα-helixtrans-69.3-40.5-173.7-62.1-12.5000111D69 L70 K76 F77 F145D69-D73 PolarHBondContact O-N 3.02Å; L70-D73 PolarHBondContact O-N 2.81Å; D73-K76 PolarHBondContact O-N 3.37Å; D73-F77 WeakPolarHBondContact O-CB 3.18Å; D73-F77 PolarHBondContact O-N 3.3Å; D73-F145 HydrophobicContact CB-CE1 4.29Å
74L96Very high89.8Confident3 Ų365.5 Ų65.52%0.01633%0.334CS..Hα-helixtrans-63.3-43.2174.6-174.9147.5000111.7L70 K76 F77 Y78 W104 R106 L141 F145L70-L74 WeakPolarHBondContact O-CB 3.47Å; L70-L74 PolarHBondContact O-N 3.3Å; L74-K76 VanDerWaalsContact C-N 3.34Å; L74-K76 PolarHBondContact O-N 3.12Å; L74-F77 PolarHBondContact O-N 2.83Å; L74-Y78 HydrophobicContact CD2-CD2 4.34Å; L74-Y78 HydrophobicContact CG-CD2 4.03Å; L74-Y78 HydrophobicContact CG-CE2 4.28Å; L74-Y78 WeakPolarHBondContact O-CD2 3.49Å; L74-Y78 PolarHBondContact O-N 2.86Å; L74-W104 HydrophobicContact CD2-CB 3.32Å; L74-W104 WeakPolarHBondContact CD2-O 3.49Å; L74-R106 HydrophobicContact CD1-CG 3.32Å; L74-L141 HydrophobicContact CD1-CD1 4.46Å; L74-F145 HydrophobicContact CB-CD1 4.06Å; L74-F145 HydrophobicContact CB-CE1 3.94Å; L74-F145 HydrophobicContact CB-CZ 4.42Å; L74-F145 HydrophobicContact CD1-CB 4.34Å; L74-F145 HydrophobicContact CD1-CD1 4.28Å; L74-F145 HydrophobicContact CD1-CG 4.18Å; L74-F145 HydrophobicContact CG-CD1 4.47Å
75N96.2Very high88.3Confident39 Ų3963.6 Ų63.621%0.20933%0.333CS..Hα-helixtrans-69.3-33177.7-82.6-89.6000112.5Q71 R72 A79 K103 W104Q71-N75 VanDerWaalsContact O-CB 3.29Å; Q71-N75 WeakPolarHBondContact O-CB 3.32Å; Q71-N75 PolarHBondContact O-N 2.97Å; Q71-N75 PolarHBondContact O-ND2 2.81Å; R72-N75 PolarHBondContact O-N 2.88Å; N75-A79 WeakPolarHBondContact O-CA 3.5Å; N75-A79 WeakPolarHBondContact O-CB 3.29Å; N75-A79 PolarHBondContact O-N 2.57Å; N75-K103 WeakPolarHBondContact OD1-CA 3.32Å; N75-W104 PolarHBondContact ND2-O 3.06Å; N75-W104 PolarHBondContact OD1-N 2.77Å
76K95Very high87Confident172 Ų17260.4 Ų60.475%0.74832%0.322SS*.Hα-helixtrans-64.7-45.4172.3-178.6-178.9176.6-175.60111.2R72 D73 L74R72-K76 WeakPolarHBondContact O-CB 3.22Å; R72-K76 PolarHBondContact O-N 3.22Å; D73-K76 PolarHBondContact O-N 3.37Å; L74-K76 VanDerWaalsContact C-N 3.34Å; L74-K76 PolarHBondContact O-N 3.12Å
77F92.3Very high85.4Confident57 Ų5760 Ų6025%0.2532%0.319CS..Hα-helixtrans-65.4-44.1-178.5-174.9-85.9000112.7I12 M15 D73 L74 F145I12-F77 HydrophobicContact CD1-CD1 4.11Å; I12-F77 HydrophobicContact CD1-CE1 3.33Å; I12-F77 HydrophobicContact CD1-CE2 3.88Å; I12-F77 HydrophobicContact CD1-CZ 3.22Å; I12-F77 HydrophobicContact CG1-CZ 4.38Å; M15-F77 HydrophobicContact CG-CZ 4.27Å; M15-F77 HydrophobicContact SD-CE1 3.78Å; M15-F77 HydrophobicContact SD-CZ 3.8Å; D73-F77 WeakPolarHBondContact O-CB 3.18Å; D73-F77 PolarHBondContact O-N 3.3Å; L74-F77 PolarHBondContact O-N 2.83Å; F77-F145 HydrophobicContact CB-CE2 3.79Å; F77-F145 HydrophobicContact CB-CZ 3.57Å; F77-F145 AromaticContact CD1-CE2 3.63Å; F77-F145 HydrophobicContact CD1-CE2 3.63Å; F77-F145 HydrophobicContact CD1-CZ 4.32Å; F77-F145 AromaticContact CD2-CE2 3.82Å; F77-F145 HydrophobicContact CD2-CE2 3.82Å; F77-F145 AromaticContact CD2-CZ 3.99Å; F77-F145 HydrophobicContact CD2-CZ 3.99Å; F77-F145 HydrophobicContact CE1-CE2 4.01Å; F77-F145 HydrophobicContact CE2-CE2 4.19Å; F77-F145 AromaticContact CG-CE2 3.49Å; F77-F145 HydrophobicContact CG-CE2 3.49Å; F77-F145 VanDerWaalsContact CG-CE2 3.49Å; F77-F145 AromaticContact CG-CZ 3.75Å; F77-F145 HydrophobicContact CG-CZ 3.75Å; F77-F145 HydrophobicContact CZ-CE2 4.25Å
78Y91.8Very high83.9Confident7 Ų761.2 Ų61.23%0.02733%0.33CS..Hα-helixtrans-91.92.2-177.6-71.2-79.3000114.5L74 D80 S81 C97 W104 R139 L140 L141 S142 F145L74-Y78 HydrophobicContact CD2-CD2 4.34Å; L74-Y78 HydrophobicContact CG-CD2 4.03Å; L74-Y78 HydrophobicContact CG-CE2 4.28Å; L74-Y78 WeakPolarHBondContact O-CD2 3.49Å; L74-Y78 PolarHBondContact O-N 2.86Å; Y78-D80 VanDerWaalsContact C-N 3.34Å; Y78-D80 PolarHBondContact O-N 3.45Å; Y78-S81 WeakPolarHBondContact O-CB 3.38Å; Y78-S81 PolarHBondContact O-N 3.01Å; Y78-S81 PolarHBondContact O-OG 3.16Å; Y78-C97 HydrophobicContact CE1-CB 4.43Å; Y78-C97 HydrophobicContact CE2-CB 4.13Å; Y78-W104 PolarHBondContact O-NE1 3.25Å; Y78-R139 HydrophobicContact CD1-CB 4.18Å; Y78-R139 HydrophobicContact CD1-CG 4.19Å; Y78-R139 HydrophobicContact CE1-CB 3.92Å; Y78-R139 HydrophobicContact CE1-CG 4.41Å; Y78-L140 PolarHBondContact OH-O 2.83Å; Y78-L141 WeakPolarHBondContact OH-CA 3.47Å; Y78-S142 PolarHBondContact OH-N 3.34Å; Y78-F145 AromaticContact CE2-CD2 3.93Å; Y78-F145 HydrophobicContact CE2-CD2 3.93Å; Y78-F145 AromaticContact CE2-CE2 3.93Å; Y78-F145 HydrophobicContact CE2-CE2 3.93Å
79A89.8Confident82.6Confident58 Ų5861.2 Ų61.248%0.47934%0.338SS..THydrogen-bonded Turntrans-48.5-50.6-173.900000113.3N75N75-A79 WeakPolarHBondContact O-CA 3.5Å; N75-A79 WeakPolarHBondContact O-CB 3.29Å; N75-A79 PolarHBondContact O-N 2.57Å
80D83.4Confident81.5Confident111 Ų11159.3 Ų59.359%0.59433%0.328SS*.THydrogen-bonded Turntrans-102.417.1-178.4-61.9-21.8000112.9K11 Y78 V82K11-D80 HydrophobicContact CD-CB 4.22Å; K11-D80 IonicContact NZ-OD2 2.71Å; K11-D80 PolarHBondContact NZ-OD2 3.3Å; Y78-D80 VanDerWaalsContact C-N 3.34Å; Y78-D80 PolarHBondContact O-N 3.45Å; D80-V82 PolarHBondContact O-N 3.28Å; D80-V82 VanDerWaalsContact O-N 3.14Å
81S78.5Confident80.7Confident23 Ų2360.5 Ų60.516%0.16134%0.344CS..  trans-70.7114.4-17472.10000111.6Y78 W104 R139Y78-S81 WeakPolarHBondContact O-CB 3.38Å; Y78-S81 PolarHBondContact O-N 3.01Å; Y78-S81 PolarHBondContact O-OG 3.16Å; S81-W104 WeakPolarHBondContact OG-CZ2 3.42Å; S81-R139 PolarHBondContact O-NE 2.82Å; S81-R139 PolarHBondContact O-NH2 3.38Å; S81-R139 PolarHBondContact OG-NE 3.16Å
82V69.6Low80.3Confident100 Ų10062.2 Ų62.261%0.60636%0.359SS*.  trans-74.7154.1161.1-173.10000107.7D80 L84 R139D80-V82 PolarHBondContact O-N 3.28Å; D80-V82 VanDerWaalsContact O-N 3.14Å; V82-L84 WeakPolarHBondContact O-CG 3.48Å; V82-L84 PolarHBondContact O-N 2.85Å; V82-R139 PolarHBondContact O-NE 3.1Å
83A62.7Low80Confident48 Ų4857.1 Ų57.140%0.39735%0.348SS..  trans-64.6107.6173.400000109.1
84L58.1Low79.8Confident59 Ų5954.6 Ų54.631%0.30934%0.337SS..  trans-95.4-19.9-172.3-64.4169.4000113.7L10 V82L10-L84 HydrophobicContact CB-CD1 4.37Å; L10-L84 HydrophobicContact CD2-CB 3.84Å; L10-L84 HydrophobicContact CD2-CD1 3.83Å; L10-L84 HydrophobicContact CD2-CG 4.24Å; L10-L84 HydrophobicContact CG-CD1 4.48Å; V82-L84 WeakPolarHBondContact O-CG 3.48Å; V82-L84 PolarHBondContact O-N 2.85Å
85A63.7Low79.8Confident43 Ų4354.5 Ų54.536%0.35534%0.337SS..SBendtrans-140.7150-178.300000108.9P87 L140A85-P87 WeakPolarHBondContact O-CD 3.2Å; A85-L140 HydrophobicContact CB-CD1 3.34Å; A85-L140 HydrophobicContact CB-CG 3.94Å
86D69Low79.7Confident67 Ų6752.7 Ų52.736%0.35833%0.327SS..  trans-70.9111177.9-172.5-3.8000109.9S88 T89 K135D86-S88 PolarHBondContact O-N 3.23Å; D86-S88 WeakPolarHBondContact OD1-CB 3.41Å; D86-S88 PolarHBondContact OD1-N 3.1Å; D86-S88 PolarHBondContact OD1-OG 3.12Å; D86-S88 PolarHBondContact OD2-OG 3.24Å; D86-T89 HydrophobicContact CB-CG2 4.35Å; D86-T89 WeakPolarHBondContact O-CB 3.29Å; D86-T89 WeakPolarHBondContact O-CG2 3.4Å; D86-T89 PolarHBondContact O-N 3.03Å; D86-T89 PolarHBondContact O-OG1 3.3Å; D86-K135 WeakPolarHBondContact OD1-CE 3.31Å; D86-K135 IonicContact OD1-NZ 3.3Å; D86-K135 PolarHBondContact OD1-NZ 3.18Å; D86-K135 IonicContact OD2-NZ 3.66Å; D86-K135 PolarHBondContact OD2-NZ 2.9Å
87P64.6Low79.6Confident4 Ų444.5 Ų44.53%0.02629%0.292CS..G310 helixtrans-62.7-14.1176.2-19.234.9000112.5A85 T89 V90 F120 K135 V138A85-P87 WeakPolarHBondContact O-CD 3.2Å; P87-T89 PolarHBondContact O-N 2.87Å; P87-V90 WeakPolarHBondContact O-CB 3.41Å; P87-V90 WeakPolarHBondContact O-CG2 3.25Å; P87-V90 PolarHBondContact O-N 3.07Å; P87-F120 VanDerWaalsContact C-CZ 3.48Å; P87-F120 HydrophobicContact CB-CE1 4.34Å; P87-F120 HydrophobicContact CB-CE2 4.08Å; P87-F120 HydrophobicContact CB-CZ 3.77Å; P87-F120 WeakPolarHBondContact O-CE1 3.46Å; P87-F120 WeakPolarHBondContact O-CZ 3.4Å; P87-K135 HydrophobicContact CG-CG 4.38Å; P87-V138 HydrophobicContact CB-CB 3.96Å; P87-V138 HydrophobicContact CB-CG1 3.73Å; P87-V138 HydrophobicContact CG-CB 3.97Å; P87-V138 HydrophobicContact CG-CG1 4.17Å
88S65.5Low79.7Confident51 Ų5141.8 Ų41.836%0.35728%0.28SS..G310 helixtrans-62.3-19.5173.183.90000113.1D86 V90D86-S88 PolarHBondContact O-N 3.23Å; D86-S88 WeakPolarHBondContact OD1-CB 3.41Å; D86-S88 PolarHBondContact OD1-N 3.1Å; D86-S88 PolarHBondContact OD1-OG 3.12Å; D86-S88 PolarHBondContact OD2-OG 3.24Å; S88-V90 PolarHBondContact O-N 3.23Å
89T69Low79.8Confident107 Ų10745 Ų4566%0.65629%0.294SS*.G310 helixtrans-74.3-13.1172.463.20000113D86 P87 G91D86-T89 HydrophobicContact CB-CG2 4.35Å; D86-T89 WeakPolarHBondContact O-CB 3.29Å; D86-T89 WeakPolarHBondContact O-CG2 3.4Å; D86-T89 PolarHBondContact O-N 3.03Å; D86-T89 PolarHBondContact O-OG1 3.3Å; P87-T89 PolarHBondContact O-N 2.87Å; T89-G91 PolarHBondContact O-N 3.35Å
90V74.7Confident80Confident10 Ų1043.3 Ų43.36%0.06128%0.278CS..  trans-83.4108.2-179.7-1740000109P87 S88 A94 V109 L140P87-V90 WeakPolarHBondContact O-CB 3.41Å; P87-V90 WeakPolarHBondContact O-CG2 3.25Å; P87-V90 PolarHBondContact O-N 3.07Å; S88-V90 PolarHBondContact O-N 3.23Å; V90-A94 HydrophobicContact CG1-CB 3.39Å; V90-V109 HydrophobicContact CB-CG2 4.39Å; V90-V109 HydrophobicContact CG1-CB 4.49Å; V90-V109 HydrophobicContact CG1-CG2 3.56Å; V90-L140 HydrophobicContact CG2-CD2 3.17Å
91G82.5Confident80.4Confident42 Ų4247.4 Ų47.443%0.43329%0.285SS..  trans-69.7167.8176.300000113.5T89 G93 A94T89-G91 PolarHBondContact O-N 3.35Å; G91-G93 PolarHBondContact O-N 3.4Å; G91-A94 WeakPolarHBondContact O-CB 3.42Å; G91-A94 PolarHBondContact O-N 3.01Å; G91-A94 VanDerWaalsContact O-N 3.13Å
92V89.8Confident81Confident96 Ų9655.2 Ų55.258%0.58232%0.316SS*.THydrogen-bonded Turntrans-53.6133.1171.9173.80000110A94 L110V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 2.87Å; V92-L110 WeakPolarHBondContact CG1-O 3.44Å
93G91.4Very high82.2Confident28 Ų2856.1 Ų56.129%0.28931%0.312SS..THydrogen-bonded Turntrans85.1-6.7178.800000115.4G91 K108 V109G91-G93 PolarHBondContact O-N 3.4Å; G93-K108 WeakPolarHBondContact O-CE 3.27Å; G93-K108 WeakPolarHBondContact O-CG 3.33Å; G93-V109 WeakPolarHBondContact CA-O 3.49Å; G93-V109 PolarHBondContact N-O 3.04Å
94A92.4Very high83.8Confident21 Ų2154.2 Ų54.217%0.17429%0.294CS..  trans-74.9146.9177.800000112.1V90 G91 V92 V109V90-A94 HydrophobicContact CG1-CB 3.39Å; G91-A94 WeakPolarHBondContact O-CB 3.42Å; G91-A94 PolarHBondContact O-N 3.01Å; G91-A94 VanDerWaalsContact O-N 3.13Å; V92-A94 VanDerWaalsContact C-N 3.31Å; V92-A94 PolarHBondContact O-N 2.87Å; A94-V109 PolarHBondContact O-N 2.87Å; A94-V109 VanDerWaalsContact O-N 3.08Å
95P95.3Very high85.7Confident2 Ų253 Ų531%0.01329%0.288CS..EExtended strand (participates in β ladder)trans-63.9140.8172.5-20.833.1000112.2A18 K19 Y21 L141A18-P95 HydrophobicContact CB-CB 4.26Å; A18-P95 HydrophobicContact CB-CG 4.3Å; K19-P95 VanDerWaalsContact O-CD 3.26Å; K19-P95 WeakPolarHBondContact O-CD 3.44Å; Y21-P95 HydrophobicContact CD2-CB 4.06Å; Y21-P95 HydrophobicContact CD2-CG 3.81Å; Y21-P95 HydrophobicContact CE1-CB 4.36Å; Y21-P95 HydrophobicContact CE2-CB 3.54Å; Y21-P95 HydrophobicContact CE2-CG 3.82Å; Y21-P95 HydrophobicContact CG-CG 4.35Å; P95-L141 HydrophobicContact CB-CB 4.07Å; P95-L141 HydrophobicContact CB-CD2 3.63Å
96C93.9Very high87.3Confident0 Ų051.1 Ų51.10%027%0.272CS..EExtended strand (participates in β ladder)trans-143.9167.6170.461.40000110.5A107 V109 V138 R139C96-A107 PolarHBondContact N-O 2.77Å; C96-A107 PolarHBondContact O-N 2.86Å; C96-A107 VanDerWaalsContact O-O 3.06Å; C96-V109 HydrophobicContact CB-CG2 4.45Å; C96-V138 HydrophobicContact CB-CG1 4.04Å; C96-R139 WeakPolarHBondContact CB-O 3.23Å
97C93.9Very high88.6Confident0 Ų047.9 Ų47.90%026%0.255CS..EExtended strand (participates in β ladder)trans-113.5136169.4-1780000108.3Y78 L105 V138 R139 L141Y78-C97 HydrophobicContact CE1-CB 4.43Å; Y78-C97 HydrophobicContact CE2-CB 4.13Å; C97-L105 WeakPolarHBondContact CA-O 3.43Å; C97-V138 CarbonylContact O-C 3.6Å; C97-R139 HydrophobicContact CB-CB 4.22Å; C97-R139 PolarHBondContact N-O 3.39Å; C97-R139 PolarHBondContact O-N 2.84Å; C97-L141 HydrophobicContact CB-CD1 3.96Å
98V94Very high90.1Very high0 Ų052.1 Ų52.10%027%0.272CS..EExtended strand (participates in β ladder)trans-129.7145.1-177.6-63.20000111.7V100 W104 L105 A107 V122 L124 V133 E137 V138V98-V100 HydrophobicContact CG2-CG2 4.15Å; V98-W104 CarbonylContact O-C 3.59Å; V98-W104 WeakPolarHBondContact O-CA 3.12Å; V98-L105 HydrophobicContact CG2-CB 4.48Å; V98-L105 PolarHBondContact N-O 3.05Å; V98-L105 PolarHBondContact O-N 3.04Å; V98-A107 HydrophobicContact CG1-CB 4.03Å; V98-A107 HydrophobicContact CG2-CB 3.77Å; V98-V122 HydrophobicContact CG1-CG1 4.34Å; V98-V122 HydrophobicContact CG1-CG2 4.21Å; V98-V122 HydrophobicContact CG2-CG2 4.42Å; V98-L124 HydrophobicContact CG2-CD2 3.54Å; V98-V133 HydrophobicContact CB-CG1 4.24Å; V98-V133 HydrophobicContact CB-CG2 4.33Å; V98-V133 HydrophobicContact CG1-CG1 4.42Å; V98-V133 HydrophobicContact CG1-CG2 4.48Å; V98-E137 CarbonylContact C-O 2.9Å; V98-E137 VanDerWaalsContact CA-O 3.28Å; V98-E137 WeakPolarHBondContact CA-O 3.48Å; V98-V138 HydrophobicContact CG1-CG1 4.33Å; V98-V138 HydrophobicContact CG1-CG2 4.11Å
99K94Very high91.5Very high74 Ų7449.8 Ų49.832%0.32226%0.256SS..EExtended strand (participates in β ladder)trans-91.4121.8173.3-150.1179.6-170.5172.90110.3K103 W104 E137K99-K103 CarbonylContact C-O 3.55Å; K99-K103 WeakPolarHBondContact CA-O 3.45Å; K99-W104 HydrophobicContact CB-CD2 4.14Å; K99-W104 HydrophobicContact CB-CE3 3.75Å; K99-W104 HydrophobicContact CB-CH2 3.91Å; K99-W104 HydrophobicContact CB-CZ2 4.31Å; K99-W104 HydrophobicContact CB-CZ3 3.63Å; K99-W104 HydrophobicContact CD-CH2 4.13Å; K99-W104 HydrophobicContact CD-CZ2 3.84Å; K99-W104 HydrophobicContact CG-CD2 4.05Å; K99-W104 HydrophobicContact CG-CE3 4.18Å; K99-W104 HydrophobicContact CG-CH2 4.31Å; K99-W104 HydrophobicContact CG-CZ2 4.2Å; K99-W104 HydrophobicContact CG-CZ3 4.32Å; K99-E137 HydrophobicContact CB-CB 4.07Å; K99-E137 HydrophobicContact CB-CG 4.43Å; K99-E137 WeakPolarHBondContact CB-OE2 3.23Å; K99-E137 WeakPolarHBondContact CD-OE2 3.44Å; K99-E137 PolarHBondContact N-O 2.77Å
100V93.5Very high92.7Very high24 Ų2447 Ų4715%0.14524%0.237CC..EExtended strand (participates in β ladder)trans-130.1121.7175.3-179.10000108.5V98 K102 K103 L105 L124V98-V100 HydrophobicContact CG2-CG2 4.15Å; V100-K102 VanDerWaalsContact C-N 3.29Å; V100-K102 PolarHBondContact O-N 3.44Å; V100-K103 PolarHBondContact N-O 2.75Å; V100-K103 PolarHBondContact O-N 3.31Å; V100-L105 HydrophobicContact CB-CD1 3.99Å; V100-L105 HydrophobicContact CG2-CD1 4.28Å; V100-L124 HydrophobicContact CG2-CD2 4.44Å
101R91.7Very high93.3Very high196 Ų19654.5 Ų54.574%0.7426%0.264SS*.THydrogen-bonded Turntrans48.349.6179.1-61.9179.7175.6140.6-2.2112.7K103R101-K103 PolarHBondContact O-N 3.09Å
102K90.9Very high92.9Very high188 Ų18854.1 Ų54.182%0.81726%0.255SS*.THydrogen-bonded Turntrans68.38.3-179.8-49.3178.1178.3-178.80115.9V100V100-K102 VanDerWaalsContact C-N 3.29Å; V100-K102 PolarHBondContact O-N 3.44Å
103K95.5Very high91.8Very high118 Ų11851.9 Ų51.951%0.51324%0.243SC..EExtended strand (participates in β ladder)trans-114.7132.9173.3-64.1-171177.3-167.60110.6N75 K99 V100 R101N75-K103 WeakPolarHBondContact OD1-CA 3.32Å; K99-K103 CarbonylContact C-O 3.55Å; K99-K103 WeakPolarHBondContact CA-O 3.45Å; V100-K103 PolarHBondContact N-O 2.75Å; V100-K103 PolarHBondContact O-N 3.31Å; R101-K103 PolarHBondContact O-N 3.09Å
104W96.2Very high90.4Very high8 Ų852.9 Ų52.93%0.0325%0.253CS..EExtended strand (participates in β ladder)trans-74.2135.7166.4-65.9111000109.5L74 N75 Y78 S81 V98 K99 R139L74-W104 HydrophobicContact CD2-CB 3.32Å; L74-W104 WeakPolarHBondContact CD2-O 3.49Å; N75-W104 PolarHBondContact ND2-O 3.06Å; N75-W104 PolarHBondContact OD1-N 2.77Å; Y78-W104 PolarHBondContact O-NE1 3.25Å; S81-W104 WeakPolarHBondContact OG-CZ2 3.42Å; V98-W104 CarbonylContact O-C 3.59Å; V98-W104 WeakPolarHBondContact O-CA 3.12Å; K99-W104 HydrophobicContact CB-CD2 4.14Å; K99-W104 HydrophobicContact CB-CE3 3.75Å; K99-W104 HydrophobicContact CB-CH2 3.91Å; K99-W104 HydrophobicContact CB-CZ2 4.31Å; K99-W104 HydrophobicContact CB-CZ3 3.63Å; K99-W104 HydrophobicContact CD-CH2 4.13Å; K99-W104 HydrophobicContact CD-CZ2 3.84Å; K99-W104 HydrophobicContact CG-CD2 4.05Å; K99-W104 HydrophobicContact CG-CE3 4.18Å; K99-W104 HydrophobicContact CG-CH2 4.31Å; K99-W104 HydrophobicContact CG-CZ2 4.2Å; K99-W104 HydrophobicContact CG-CZ3 4.32Å; W104-R139 HydrophobicContact CH2-CG 3.76Å; W104-R139 HydrophobicContact CZ3-CG 3.65Å
105L97.6Very high88.9Confident34 Ų3457.8 Ų57.818%0.17829%0.286CS..EExtended strand (participates in β ladder)trans-139.5147.9-176.4-61.5174.8000110C97 V98 V100 L124C97-L105 WeakPolarHBondContact CA-O 3.43Å; V98-L105 HydrophobicContact CG2-CB 4.48Å; V98-L105 PolarHBondContact N-O 3.05Å; V98-L105 PolarHBondContact O-N 3.04Å; V100-L105 HydrophobicContact CB-CD1 3.99Å; V100-L105 HydrophobicContact CG2-CD1 4.28Å; L105-L124 HydrophobicContact CB-CD2 4.01Å; L105-L124 HydrophobicContact CD1-CD1 3.81Å; L105-L124 HydrophobicContact CD1-CD2 4.08Å
106R98Very high87.4Confident3 Ų367.1 Ų67.11%0.01133%0.327CS..EExtended strand (participates in β ladder)trans-72.4139.4172.4-59-164.6-54.1168.7-1.2110.7L70 L74 L124 V125 D126 L141 F145 L148 P149L70-R106 HydrophobicContact CD2-CG 4.47Å; L70-R106 VanDerWaalsContact CD2-NE 3.31Å; L74-R106 HydrophobicContact CD1-CG 3.32Å; R106-L124 WeakPolarHBondContact O-CA 3.45Å; R106-V125 HydrophobicContact CB-CG2 3.48Å; R106-V125 VanDerWaalsContact CB-CG2 3.48Å; R106-V125 PolarHBondContact O-N 3.06Å; R106-V125 VanDerWaalsContact O-N 3.14Å; R106-D126 IonicContact CZ-OD1 3.92Å; R106-D126 IonicContact CZ-OD2 3.47Å; R106-D126 IonicContact NE-OD1 3.45Å; R106-D126 IonicContact NE-OD2 3.59Å; R106-D126 PolarHBondContact NE-OD2 2.91Å; R106-D126 IonicContact NH2-OD1 2.76Å; R106-D126 PolarHBondContact NH2-OD1 3.29Å; R106-D126 IonicContact NH2-OD2 3.41Å; R106-D126 PolarHBondContact NH2-OD2 3.14Å; R106-L141 HydrophobicContact CG-CD1 4.33Å; R106-F145 VanDerWaalsContact CD-O 3.26Å; R106-F145 WeakPolarHBondContact CD-O 3.46Å; R106-F145 PolarHBondContact NH1-O 2.99Å; R106-L148 PolarHBondContact NH1-O 2.6Å; R106-P149 PolarHBondContact NH2-O 3.47Å
107A97.2Very high86.3Confident0 Ų068.1 Ų68.10%034%0.337CS..EExtended strand (participates in β ladder)trans-144.3167.8179.800000112.5Y21 C96 V98 V122 R123 L124Y21-A107 PolarHBondContact OH-N 3.24Å; Y21-A107 PolarHBondContact OH-O 3.28Å; C96-A107 PolarHBondContact N-O 2.77Å; C96-A107 PolarHBondContact O-N 2.86Å; C96-A107 VanDerWaalsContact O-O 3.06Å; V98-A107 HydrophobicContact CG1-CB 4.03Å; V98-A107 HydrophobicContact CG2-CB 3.77Å; A107-V122 HydrophobicContact CB-CB 4.06Å; A107-V122 HydrophobicContact CB-CG2 4.09Å; A107-R123 CarbonylContact C-O 3.55Å; A107-R123 WeakPolarHBondContact CA-O 3.37Å; A107-R123 WeakPolarHBondContact CB-O 3.37Å; A107-L124 HydrophobicContact CB-CD2 4.27Å
108K95.9Very high85.7Confident92 Ų9273.7 Ų73.740%0.437%0.367SS..EExtended strand (participates in β ladder)trans-128.3132.7172-178176.2177.41770108.1Y21 G93 L110 V122 R123 V125Y21-K108 HydrophobicContact CE2-CB 4.4Å; G93-K108 WeakPolarHBondContact O-CE 3.27Å; G93-K108 WeakPolarHBondContact O-CG 3.33Å; K108-L110 PolarHBondContact O-N 3.05Å; K108-V122 CarbonylContact O-C 3.49Å; K108-V122 VanDerWaalsContact O-CA 3.29Å; K108-V122 WeakPolarHBondContact O-CA 3.34Å; K108-R123 PolarHBondContact N-O 2.78Å; K108-R123 PolarHBondContact O-N 3.36Å; K108-V125 HydrophobicContact CB-CG1 3.69Å
109V94Very high85.4Confident2 Ų278.1 Ų78.11%0.01239%0.388CS..EExtended strand (participates in β ladder)trans-66.8124.3177.1-1800000109.4V90 G93 A94 C96 F120V90-V109 HydrophobicContact CB-CG2 4.39Å; V90-V109 HydrophobicContact CG1-CB 4.49Å; V90-V109 HydrophobicContact CG1-CG2 3.56Å; G93-V109 WeakPolarHBondContact CA-O 3.49Å; G93-V109 PolarHBondContact N-O 3.04Å; A94-V109 PolarHBondContact O-N 2.87Å; A94-V109 VanDerWaalsContact O-N 3.08Å; C96-V109 HydrophobicContact CB-CG2 4.45Å; V109-F120 HydrophobicContact CG1-CD1 4.3Å; V109-F120 HydrophobicContact CG2-CD1 4.31Å
110L93.5Very high85.1Confident49 Ų4974.9 Ų74.926%0.25737%0.374SS..EExtended strand (participates in β ladder)trans-93.1-42.3170.9-61.8-178.1000110.5V92 K108 H121 R123V92-L110 WeakPolarHBondContact CG1-O 3.44Å; K108-L110 PolarHBondContact O-N 3.05Å; L110-H121 WeakPolarHBondContact CA-O 3.43Å; L110-H121 WeakPolarHBondContact CB-O 3.47Å; L110-H121 PolarHBondContact N-O 2.8Å; L110-R123 HydrophobicContact CD1-CB 4.02Å; L110-R123 HydrophobicContact CD2-CB 4.06Å; L110-R123 HydrophobicContact CG-CB 4.06Å
111W87.2Confident85.1Confident168 Ų16875.8 Ų75.864%0.63638%0.376SS*.EExtended strand (participates in β ladder)trans-149.7133.6177.3-167.8-97000109.5H121W111-H121 HydrophobicContact CB-CB 4.03Å; W111-H121 PolarHBondContact N-O 3.05Å; W111-H121 PolarHBondContact O-N 2.76Å
112S75.2Confident85.3Confident34 Ų3466.4 Ų66.424%0.23834%0.341CS..EExtended strand (participates in β ladder)trans-94.9131.5167.156.60000108.4G114S112-G114 PolarHBondContact O-N 3.16Å
113C67.4Low85.6Confident48 Ų4860.5 Ų60.532%0.32431%0.314SS..  trans-77.750.1174.7-690000111.4G117 E119C113-G117 WeakPolarHBondContact O-CA 3.4Å; C113-G117 PolarHBondContact O-N 3.25Å; C113-E119 VanDerWaalsContact CB-O 3.23Å; C113-E119 WeakPolarHBondContact CB-O 3.5Å; C113-E119 PolarHBondContact SG-O 3.03Å
114G61.8Low85.7Confident49 Ų4955.2 Ų55.251%0.50529%0.291SS..THydrogen-bonded Turntrans49-158174.900000114.9S112 K116S112-G114 PolarHBondContact O-N 3.16Å; G114-K116 VanDerWaalsContact C-N 3.33Å
115S61.2Low85.9Confident125 Ų12555.4 Ų55.487%0.87429%0.293SS*.THydrogen-bonded Turntrans-79.5-14.6176.7490000114
116K63.7Low85.9Confident197 Ų19754.6 Ų54.686%0.85729%0.288SS*.THydrogen-bonded Turntrans-103.3-8.9-175.4-66.3-168.4178.6-174.80114.6G114G114-K116 VanDerWaalsContact C-N 3.33Å
117G69.1Low85.9Confident22 Ų2255.8 Ų55.823%0.22730%0.298CS..  trans-100.2136.7-178.800000111.6C113 E119C113-G117 WeakPolarHBondContact O-CA 3.4Å; C113-G117 PolarHBondContact O-N 3.25Å; G117-E119 VanDerWaalsContact C-N 3.31Å
118D81.5Confident85.9Confident117 Ų11755.9 Ų55.963%0.62630%0.298SS*.SBendtrans-89.6-0.2-178.3-60.5-28.4000112.4P134 K135D118-P134 CarbonylContact O-C 3.58Å; D118-P134 VanDerWaalsContact O-CA 3.24Å; D118-P134 WeakPolarHBondContact O-CA 3.41Å; D118-K135 PolarHBondContact O-N 3.34Å
119E87.9Confident86Confident92 Ų9253.3 Ų53.343%0.4329%0.288SS..EExtended strand (participates in β ladder)trans-127.6146.2-176.4-61.6-171.412900113.1C113 G117 V133C113-E119 VanDerWaalsContact CB-O 3.23Å; C113-E119 WeakPolarHBondContact CB-O 3.5Å; C113-E119 PolarHBondContact SG-O 3.03Å; G117-E119 VanDerWaalsContact C-N 3.31Å; E119-V133 CarbonylContact C-O 3.56Å; E119-V133 VanDerWaalsContact CA-O 3.32Å; E119-V133 WeakPolarHBondContact CA-O 3.32Å
120F88.8Confident86.1Confident7 Ų755.7 Ų55.73%0.03130%0.303CS..EExtended strand (participates in β ladder)trans-104.3133.1170.3-76.1-104.4000109.7P87 V109 V122 Y132 V133 K135 V138P87-F120 VanDerWaalsContact C-CZ 3.48Å; P87-F120 HydrophobicContact CB-CE1 4.34Å; P87-F120 HydrophobicContact CB-CE2 4.08Å; P87-F120 HydrophobicContact CB-CZ 3.77Å; P87-F120 WeakPolarHBondContact O-CE1 3.46Å; P87-F120 WeakPolarHBondContact O-CZ 3.4Å; V109-F120 HydrophobicContact CG1-CD1 4.3Å; V109-F120 HydrophobicContact CG2-CD1 4.31Å; F120-V122 HydrophobicContact CB-CG1 3.86Å; F120-Y132 WeakPolarHBondContact O-CA 3.49Å; F120-V133 PolarHBondContact N-O 3.33Å; F120-V133 PolarHBondContact O-N 2.85Å; F120-K135 HydrophobicContact CD2-CB 4.33Å; F120-K135 HydrophobicContact CE2-CB 3.96Å; F120-K135 HydrophobicContact CE2-CG 3.94Å; F120-V138 HydrophobicContact CB-CG2 4.13Å; F120-V138 HydrophobicContact CD2-CG2 3.86Å; F120-V138 HydrophobicContact CG-CG2 4.06Å
121H93.1Very high86.2Confident42 Ų4256.2 Ų56.219%0.19430%0.302CS..EExtended strand (participates in β ladder)trans-88.3114.9164.9-173.8-158.7000108.4L110 W111 R131 Y132L110-H121 WeakPolarHBondContact CA-O 3.43Å; L110-H121 WeakPolarHBondContact CB-O 3.47Å; L110-H121 PolarHBondContact N-O 2.8Å; W111-H121 HydrophobicContact CB-CB 4.03Å; W111-H121 PolarHBondContact N-O 3.05Å; W111-H121 PolarHBondContact O-N 2.76Å; H121-R131 WeakPolarHBondContact CA-O 3.39Å; H121-Y132 HydrophobicContact CB-CD1 3.96Å; H121-Y132 HydrophobicContact CB-CE1 3.67Å; H121-Y132 AromaticContact CD2-CZ 3.97Å; H121-Y132 AromaticContact CG-CE1 3.76Å; H121-Y132 AromaticContact CG-CZ 3.95Å
122V95.4Very high86.5Confident0 Ų055.2 Ų55.20%030%0.299CS..EExtended strand (participates in β ladder)trans-125.6161.6-176.2-55.30000110.9V98 A107 K108 F120 P130 R131 V133V98-V122 HydrophobicContact CG1-CG1 4.34Å; V98-V122 HydrophobicContact CG1-CG2 4.21Å; V98-V122 HydrophobicContact CG2-CG2 4.42Å; A107-V122 HydrophobicContact CB-CB 4.06Å; A107-V122 HydrophobicContact CB-CG2 4.09Å; K108-V122 CarbonylContact O-C 3.49Å; K108-V122 VanDerWaalsContact O-CA 3.29Å; K108-V122 WeakPolarHBondContact O-CA 3.34Å; F120-V122 HydrophobicContact CB-CG1 3.86Å; V122-P130 CarbonylContact O-C 3.51Å; V122-P130 VanDerWaalsContact O-CA 3.31Å; V122-P130 WeakPolarHBondContact O-CA 3.36Å; V122-R131 HydrophobicContact CG2-CB 4.02Å; V122-R131 PolarHBondContact N-O 3.31Å; V122-R131 PolarHBondContact O-N 3.19Å; V122-V133 HydrophobicContact CG2-CG2 3.98Å
123R97.6Very high87.3Confident64 Ų6453.9 Ų53.924%0.24229%0.289CS..EExtended strand (participates in β ladder)trans-112126.7164.7-173.7169.7-72.8167.6-9.9109.4E55 Y57 A107 K108 L110 V125E55-R123 IonicContact OE1-NH2 2.73Å; Y57-R123 PolarHBondContact OH-NH1 3.18Å; Y57-R123 PolarHBondContact OH-NH2 2.81Å; A107-R123 CarbonylContact C-O 3.55Å; A107-R123 WeakPolarHBondContact CA-O 3.37Å; A107-R123 WeakPolarHBondContact CB-O 3.37Å; K108-R123 PolarHBondContact N-O 2.78Å; K108-R123 PolarHBondContact O-N 3.36Å; L110-R123 HydrophobicContact CD1-CB 4.02Å; L110-R123 HydrophobicContact CD2-CB 4.06Å; L110-R123 HydrophobicContact CG-CB 4.06Å; R123-V125 PolarHBondContact O-N 3.43Å
124L98.3Very high88.3Confident6 Ų654 Ų543%0.03129%0.29CS..EExtended strand (participates in β ladder)trans-67.7111.8169.9-60.9-177.6000108.3V98 V100 L105 R106 A107 D126 S127 G128 E129 R131V98-L124 HydrophobicContact CG2-CD2 3.54Å; V100-L124 HydrophobicContact CG2-CD2 4.44Å; L105-L124 HydrophobicContact CB-CD2 4.01Å; L105-L124 HydrophobicContact CD1-CD1 3.81Å; L105-L124 HydrophobicContact CD1-CD2 4.08Å; R106-L124 WeakPolarHBondContact O-CA 3.45Å; A107-L124 HydrophobicContact CB-CD2 4.27Å; L124-D126 PolarHBondContact O-N 2.81Å; L124-S127 WeakPolarHBondContact CB-OG 3.43Å; L124-S127 PolarHBondContact O-N 2.8Å; L124-G128 WeakPolarHBondContact O-CA 3.41Å; L124-G128 PolarHBondContact O-N 2.79Å; L124-E129 HydrophobicContact CD1-CB 4.35Å; L124-E129 PolarHBondContact N-O 3.16Å; L124-R131 HydrophobicContact CD1-CG 3.97Å; L124-R131 HydrophobicContact CG-CG 4.04Å
125V98.5Very high89.5Confident12 Ų1254.7 Ų54.77%0.07328%0.279CS..THydrogen-bonded Turntrans-75.4-13.6-167-63.10000113.7Y21 R106 K108 R123 P150 L151 A152Y21-V125 HydrophobicContact CE1-CG2 4.17Å; Y21-V125 HydrophobicContact CE2-CG1 3.92Å; Y21-V125 HydrophobicContact CE2-CG2 4.34Å; R106-V125 HydrophobicContact CB-CG2 3.48Å; R106-V125 VanDerWaalsContact CB-CG2 3.48Å; R106-V125 PolarHBondContact O-N 3.06Å; R106-V125 VanDerWaalsContact O-N 3.14Å; K108-V125 HydrophobicContact CB-CG1 3.69Å; R123-V125 PolarHBondContact O-N 3.43Å; V125-P150 HydrophobicContact CB-CB 3.85Å; V125-P150 HydrophobicContact CB-CG 4.03Å; V125-P150 HydrophobicContact CG1-CG 4.46Å; V125-P150 HydrophobicContact CG2-CB 4.41Å; V125-P150 HydrophobicContact CG2-CG 4.43Å; V125-L151 PolarHBondContact O-N 3.31Å; V125-A152 WeakPolarHBondContact O-CB 3.17Å; V125-A152 PolarHBondContact O-N 3.07Å; V125-A152 VanDerWaalsContact O-N 3.09Å
126D98.6Very high90.7Very high17 Ų1754 Ų549%0.09126%0.262CS..THydrogen-bonded Turntrans-103.51.3180-60-42.9000113.2V59 L67 R106 L124 L151V59-D126 VanDerWaalsContact CG2-O 3.28Å; V59-D126 WeakPolarHBondContact CG2-O 3.42Å; L67-D126 HydrophobicContact CD1-CB 3.62Å; R106-D126 IonicContact CZ-OD1 3.92Å; R106-D126 IonicContact CZ-OD2 3.47Å; R106-D126 IonicContact NE-OD1 3.45Å; R106-D126 IonicContact NE-OD2 3.59Å; R106-D126 PolarHBondContact NE-OD2 2.91Å; R106-D126 IonicContact NH2-OD1 2.76Å; R106-D126 PolarHBondContact NH2-OD1 3.29Å; R106-D126 IonicContact NH2-OD2 3.41Å; R106-D126 PolarHBondContact NH2-OD2 3.14Å; L124-D126 PolarHBondContact O-N 2.81Å; D126-L151 HydrophobicContact CB-CB 4.45Å; D126-L151 WeakPolarHBondContact OD1-CB 3.5Å; D126-L151 PolarHBondContact OD1-N 3.5Å
127S97.8Very high92Very high29 Ų2947.7 Ų47.720%0.20324%0.235CC..THydrogen-bonded Turntrans-132.6-17169.665.70000114.1G48 N49 L124 E129 A152G48-S127 CarbonylContact C-O 3.55Å; G48-S127 WeakPolarHBondContact CA-O 3.12Å; N49-S127 PolarHBondContact N-O 2.86Å; L124-S127 WeakPolarHBondContact CB-OG 3.43Å; L124-S127 PolarHBondContact O-N 2.8Å; S127-E129 PolarHBondContact O-N 2.76Å; S127-E129 WeakPolarHBondContact OG-CB 3.39Å; S127-E129 PolarHBondContact OG-N 3.01Å; S127-A152 VanDerWaalsContact C-CB 3.41Å
128G97.8Very high92.9Very high1 Ų146.7 Ų46.71%0.0123%0.225CC..  trans76.32.5-17300000114.3N49 L124 A152N49-G128 PolarHBondContact ND2-O 3.01Å; L124-G128 WeakPolarHBondContact O-CA 3.41Å; L124-G128 PolarHBondContact O-N 2.79Å; G128-A152 VanDerWaalsContact N-CB 3.34Å
129E97Very high93.4Very high38 Ų3842.3 Ų42.318%0.17820%0.199CC..  trans-76.7126.5-177.7-176.1177.7-149.300111.3N49 L124 S127 R131N49-E129 HydrophobicContact CB-CB 4.49Å; L124-E129 HydrophobicContact CD1-CB 4.35Å; L124-E129 PolarHBondContact N-O 3.16Å; S127-E129 PolarHBondContact O-N 2.76Å; S127-E129 WeakPolarHBondContact OG-CB 3.39Å; S127-E129 PolarHBondContact OG-N 3.01Å; E129-R131 VanDerWaalsContact CD-NE 3.28Å; E129-R131 IonicContact OE1-CZ 2.85Å; E129-R131 IonicContact OE1-NE 4Å; E129-R131 PolarHBondContact OE1-NE 2.93Å; E129-R131 IonicContact OE1-NH1 2.88Å; E129-R131 IonicContact OE1-NH2 3.62Å; E129-R131 PolarHBondContact OE1-NH2 2.88Å; E129-R131 IonicContact OE2-CZ 3.36Å; E129-R131 IonicContact OE2-NE 2.6Å; E129-R131 PolarHBondContact OE2-NE 2.89Å; E129-R131 VanDerWaalsContact OE2-NE 3.15Å; E129-R131 IonicContact OE2-NH2 3.13Å; E129-R131 PolarHBondContact OE2-NH2 3.08Å
130P96.4Very high93.5Very high53 Ų5338.9 Ų38.934%0.34418%0.184SC..EExtended strand (participates in β ladder)trans-74.3146.1170.231.7-34.3000111.2N49 V122N49-P130 VanDerWaalsContact ND2-CD 3.33Å; N49-P130 WeakPolarHBondContact ND2-CD 3.3Å; V122-P130 CarbonylContact O-C 3.51Å; V122-P130 VanDerWaalsContact O-CA 3.31Å; V122-P130 WeakPolarHBondContact O-CA 3.36Å
131R95.3Very high93.7Very high59 Ų5938.5 Ų38.522%0.22318%0.182CC..EExtended strand (participates in β ladder)trans-144140.4178.7-69.2-64.2-174.8177.8-4.2111.1H121 V122 L124 E129 V133H121-R131 WeakPolarHBondContact CA-O 3.39Å; V122-R131 HydrophobicContact CG2-CB 4.02Å; V122-R131 PolarHBondContact N-O 3.31Å; V122-R131 PolarHBondContact O-N 3.19Å; L124-R131 HydrophobicContact CD1-CG 3.97Å; L124-R131 HydrophobicContact CG-CG 4.04Å; E129-R131 VanDerWaalsContact CD-NE 3.28Å; E129-R131 IonicContact OE1-CZ 2.85Å; E129-R131 IonicContact OE1-NE 4Å; E129-R131 PolarHBondContact OE1-NE 2.93Å; E129-R131 IonicContact OE1-NH1 2.88Å; E129-R131 IonicContact OE1-NH2 3.62Å; E129-R131 PolarHBondContact OE1-NH2 2.88Å; E129-R131 IonicContact OE2-CZ 3.36Å; E129-R131 IonicContact OE2-NE 2.6Å; E129-R131 PolarHBondContact OE2-NE 2.89Å; E129-R131 VanDerWaalsContact OE2-NE 3.15Å; E129-R131 IonicContact OE2-NH2 3.13Å; E129-R131 PolarHBondContact OE2-NH2 3.08Å; R131-V133 HydrophobicContact CB-CG2 3.88Å
132Y93.3Very high93.7Very high147 Ų14736.7 Ų36.758%0.57617%0.174SC*.EExtended strand (participates in β ladder)trans-90.2129.8158.4-65.4-84.8000107.8F120 H121F120-Y132 WeakPolarHBondContact O-CA 3.49Å; H121-Y132 HydrophobicContact CB-CD1 3.96Å; H121-Y132 HydrophobicContact CB-CE1 3.67Å; H121-Y132 AromaticContact CD2-CZ 3.97Å; H121-Y132 AromaticContact CG-CE1 3.76Å; H121-Y132 AromaticContact CG-CZ 3.95Å
133V91.8Very high93.6Very high6 Ų639.4 Ų39.44%0.03619%0.191CC..EExtended strand (participates in β ladder)trans-137130.9-174.5-176.20000109.3V98 E119 F120 V122 R131 E137 V138V98-V133 HydrophobicContact CB-CG1 4.24Å; V98-V133 HydrophobicContact CB-CG2 4.33Å; V98-V133 HydrophobicContact CG1-CG1 4.42Å; V98-V133 HydrophobicContact CG1-CG2 4.48Å; E119-V133 CarbonylContact C-O 3.56Å; E119-V133 VanDerWaalsContact CA-O 3.32Å; E119-V133 WeakPolarHBondContact CA-O 3.32Å; F120-V133 PolarHBondContact N-O 3.33Å; F120-V133 PolarHBondContact O-N 2.85Å; V122-V133 HydrophobicContact CG2-CG2 3.98Å; R131-V133 HydrophobicContact CB-CG2 3.88Å; V133-E137 HydrophobicContact CG1-CB 3.62Å; V133-V138 HydrophobicContact CB-CG2 4.49Å; V133-V138 HydrophobicContact CG1-CG2 4.2Å
134P89.6Confident93.5Very high52 Ų5242.4 Ų42.434%0.33821%0.208SC..EExtended strand (participates in β ladder)trans-56.9145.3174.6-24.333.9000112.1D118 E136 E137D118-P134 CarbonylContact O-C 3.58Å; D118-P134 VanDerWaalsContact O-CA 3.24Å; D118-P134 WeakPolarHBondContact O-CA 3.41Å; P134-E136 VanDerWaalsContact CB-OE2 3.25Å; P134-E136 WeakPolarHBondContact CB-OE2 3.1Å; P134-E136 PolarHBondContact O-N 3.47Å; P134-E136 VanDerWaalsContact O-N 3.11Å; P134-E137 PolarHBondContact O-N 3.13Å
135K86.2Confident93.4Very high62 Ų6242.9 Ų42.927%0.2721%0.209SC..G310 helixtrans-52-35.7179.3177.8176.3-179.31750112.2D86 P87 D118 F120 E137 V138D86-K135 WeakPolarHBondContact OD1-CE 3.31Å; D86-K135 IonicContact OD1-NZ 3.3Å; D86-K135 PolarHBondContact OD1-NZ 3.18Å; D86-K135 IonicContact OD2-NZ 3.66Å; D86-K135 PolarHBondContact OD2-NZ 2.9Å; P87-K135 HydrophobicContact CG-CG 4.38Å; D118-K135 PolarHBondContact O-N 3.34Å; F120-K135 HydrophobicContact CD2-CB 4.33Å; F120-K135 HydrophobicContact CE2-CB 3.96Å; F120-K135 HydrophobicContact CE2-CG 3.94Å; K135-E137 PolarHBondContact O-N 2.79Å; K135-V138 PolarHBondContact O-N 3.21Å; K135-V138 VanDerWaalsContact O-N 3.14Å
136E86.4Confident93.3Very high110 Ų11042.6 Ų42.651%0.51421%0.209SC..G310 helixtrans-66.7-21.3-179.2-58.367-138.700112.6P134 R139P134-E136 VanDerWaalsContact CB-OE2 3.25Å; P134-E136 WeakPolarHBondContact CB-OE2 3.1Å; P134-E136 PolarHBondContact O-N 3.47Å; P134-E136 VanDerWaalsContact O-N 3.11Å; E136-R139 PolarHBondContact O-NH1 2.9Å; E136-R139 PolarHBondContact O-NH2 3.44Å
137E90.5Very high93.2Very high65 Ų6545.3 Ų45.330%0.30423%0.229SC..G310 helixtrans-101.38.1179.4-63.1-66.5-170.300112.4V98 K99 V133 P134 K135V98-E137 CarbonylContact C-O 2.9Å; V98-E137 VanDerWaalsContact CA-O 3.28Å; V98-E137 WeakPolarHBondContact CA-O 3.48Å; K99-E137 HydrophobicContact CB-CB 4.07Å; K99-E137 HydrophobicContact CB-CG 4.43Å; K99-E137 WeakPolarHBondContact CB-OE2 3.23Å; K99-E137 WeakPolarHBondContact CD-OE2 3.44Å; K99-E137 PolarHBondContact N-O 2.77Å; V133-E137 HydrophobicContact CG1-CB 3.62Å; P134-E137 PolarHBondContact O-N 3.13Å; K135-E137 PolarHBondContact O-N 2.79Å
138V90Very high93.2Very high1 Ų145.2 Ų45.21%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-102.7139.4173.7-171.80000110.4P87 C96 C97 V98 F120 V133 K135P87-V138 HydrophobicContact CB-CB 3.96Å; P87-V138 HydrophobicContact CB-CG1 3.73Å; P87-V138 HydrophobicContact CG-CB 3.97Å; P87-V138 HydrophobicContact CG-CG1 4.17Å; C96-V138 HydrophobicContact CB-CG1 4.04Å; C97-V138 CarbonylContact O-C 3.6Å; V98-V138 HydrophobicContact CG1-CG1 4.33Å; V98-V138 HydrophobicContact CG1-CG2 4.11Å; F120-V138 HydrophobicContact CB-CG2 4.13Å; F120-V138 HydrophobicContact CD2-CG2 3.86Å; F120-V138 HydrophobicContact CG-CG2 4.06Å; V133-V138 HydrophobicContact CB-CG2 4.49Å; V133-V138 HydrophobicContact CG1-CG2 4.2Å; K135-V138 PolarHBondContact O-N 3.21Å; K135-V138 VanDerWaalsContact O-N 3.14Å
139R90.6Very high93.2Very high25 Ų2545.1 Ų45.19%0.09423%0.225CC..EExtended strand (participates in β ladder)trans-131.8152.4174.8-62.6-67.9179.2-82.7-3.1109.9Y78 S81 V82 C96 C97 W104 E136Y78-R139 HydrophobicContact CD1-CB 4.18Å; Y78-R139 HydrophobicContact CD1-CG 4.19Å; Y78-R139 HydrophobicContact CE1-CB 3.92Å; Y78-R139 HydrophobicContact CE1-CG 4.41Å; S81-R139 PolarHBondContact O-NE 2.82Å; S81-R139 PolarHBondContact O-NH2 3.38Å; S81-R139 PolarHBondContact OG-NE 3.16Å; V82-R139 PolarHBondContact O-NE 3.1Å; C96-R139 WeakPolarHBondContact CB-O 3.23Å; C97-R139 HydrophobicContact CB-CB 4.22Å; C97-R139 PolarHBondContact N-O 3.39Å; C97-R139 PolarHBondContact O-N 2.84Å; W104-R139 HydrophobicContact CH2-CG 3.76Å; W104-R139 HydrophobicContact CZ3-CG 3.65Å; E136-R139 PolarHBondContact O-NH1 2.9Å; E136-R139 PolarHBondContact O-NH2 3.44Å
140L90.8Very high93.3Very high20 Ų2044.3 Ų44.311%0.10522%0.223CC..EExtended strand (participates in β ladder)trans-65.2139.6165.7-60.6-175.4000109.8M15 I17 Y78 A85 V90M15-L140 HydrophobicContact CE-CB 4.37Å; I17-L140 HydrophobicContact CD1-CD1 3.47Å; I17-L140 VanDerWaalsContact CD1-CD1 3.47Å; I17-L140 HydrophobicContact CG1-CB 4.31Å; I17-L140 HydrophobicContact CG1-CD1 3.85Å; I17-L140 HydrophobicContact CG2-CB 4.13Å; I17-L140 HydrophobicContact CG2-CD1 4.14Å; Y78-L140 PolarHBondContact OH-O 2.83Å; A85-L140 HydrophobicContact CB-CD1 3.34Å; A85-L140 HydrophobicContact CB-CG 3.94Å; V90-L140 HydrophobicContact CG2-CD2 3.17Å
141L93Very high93.4Very high0 Ų041.8 Ų41.80%021%0.207CC..PPolyproline II helixtrans-84.7130.7179.3-169.471.6000110.4A18 Y21 L74 Y78 P95 C97 R106 F145 A146A18-L141 HydrophobicContact CB-CB 4.26Å; A18-L141 HydrophobicContact CB-CD2 4.37Å; A18-L141 HydrophobicContact CB-CG 4.46Å; A18-L141 WeakPolarHBondContact CB-O 3.47Å; A18-L141 PolarHBondContact N-O 3.43Å; Y21-L141 HydrophobicContact CD1-CD2 4.39Å; Y21-L141 HydrophobicContact CE1-CD2 3.47Å; Y21-L141 VanDerWaalsContact CE1-CD2 3.47Å; Y21-L141 WeakPolarHBondContact OH-CD2 3.35Å; L74-L141 HydrophobicContact CD1-CD1 4.46Å; Y78-L141 WeakPolarHBondContact OH-CA 3.47Å; P95-L141 HydrophobicContact CB-CB 4.07Å; P95-L141 HydrophobicContact CB-CD2 3.63Å; C97-L141 HydrophobicContact CB-CD1 3.96Å; R106-L141 HydrophobicContact CG-CD1 4.33Å; L141-F145 HydrophobicContact CD1-CB 3.82Å; L141-F145 HydrophobicContact CG-CB 4.21Å; L141-A146 HydrophobicContact CD2-CB 4.03Å
142S92.3Very high93.5Very high3 Ų339.3 Ų39.32%0.02120%0.199CC..BIsolated β-bridgetrans-67.1142.8169.7174.20000110.8D16 Y78 E144 F145 A146D16-S142 WeakPolarHBondContact O-CA 3.43Å; Y78-S142 PolarHBondContact OH-N 3.34Å; S142-E144 PolarHBondContact O-N 2.86Å; S142-E144 PolarHBondContact OG-N 2.81Å; S142-F145 PolarHBondContact O-N 3.35Å; S142-F145 VanDerWaalsContact O-N 3.07Å; S142-A146 PolarHBondContact O-N 3.43Å
143T93.9Very high93.7Very high57 Ų5732.3 Ų32.335%0.3517%0.172SC..Hα-helixtrans-54.9-31.7175.949.50000113D16 A18 F145 A146 S147D16-T143 HydrophobicContact CB-CG2 3.72Å; D16-T143 WeakPolarHBondContact CB-OG1 3.33Å; D16-T143 PolarHBondContact O-N 2.88Å; A18-T143 HydrophobicContact CB-CG2 4.39Å; T143-F145 VanDerWaalsContact C-N 3.25Å; T143-F145 PolarHBondContact O-N 3.41Å; T143-A146 PolarHBondContact O-N 2.83Å; T143-S147 PolarHBondContact O-N 3Å; T143-S147 VanDerWaalsContact O-N 3.11Å
144E94.6Very high94.1Very high127 Ų12734.3 Ų34.359%0.59318%0.18SC*.Hα-helixtrans-54.7-41.6176-64.1179173.200111.7S142 S147S142-E144 PolarHBondContact O-N 2.86Å; S142-E144 PolarHBondContact OG-N 2.81Å; E144-S147 PolarHBondContact O-OG 2.94Å
145F96.9Very high94.5Very high16 Ų1631.8 Ų31.87%0.0716%0.164CC..Hα-helixtrans-87.7-6.3179.7-57.5-65.3000113.8L70 D73 L74 F77 Y78 R106 L141 S142 T143L70-F145 HydrophobicContact CD1-CD1 3.84Å; D73-F145 HydrophobicContact CB-CE1 4.29Å; L74-F145 HydrophobicContact CB-CD1 4.06Å; L74-F145 HydrophobicContact CB-CE1 3.94Å; L74-F145 HydrophobicContact CB-CZ 4.42Å; L74-F145 HydrophobicContact CD1-CB 4.34Å; L74-F145 HydrophobicContact CD1-CD1 4.28Å; L74-F145 HydrophobicContact CD1-CG 4.18Å; L74-F145 HydrophobicContact CG-CD1 4.47Å; F77-F145 HydrophobicContact CB-CE2 3.79Å; F77-F145 HydrophobicContact CB-CZ 3.57Å; F77-F145 AromaticContact CD1-CE2 3.63Å; F77-F145 HydrophobicContact CD1-CE2 3.63Å; F77-F145 HydrophobicContact CD1-CZ 4.32Å; F77-F145 AromaticContact CD2-CE2 3.82Å; F77-F145 HydrophobicContact CD2-CE2 3.82Å; F77-F145 AromaticContact CD2-CZ 3.99Å; F77-F145 HydrophobicContact CD2-CZ 3.99Å; F77-F145 HydrophobicContact CE1-CE2 4.01Å; F77-F145 HydrophobicContact CE2-CE2 4.19Å; F77-F145 AromaticContact CG-CE2 3.49Å; F77-F145 HydrophobicContact CG-CE2 3.49Å; F77-F145 VanDerWaalsContact CG-CE2 3.49Å; F77-F145 AromaticContact CG-CZ 3.75Å; F77-F145 HydrophobicContact CG-CZ 3.75Å; F77-F145 HydrophobicContact CZ-CE2 4.25Å; Y78-F145 AromaticContact CE2-CD2 3.93Å; Y78-F145 HydrophobicContact CE2-CD2 3.93Å; Y78-F145 AromaticContact CE2-CE2 3.93Å; Y78-F145 HydrophobicContact CE2-CE2 3.93Å; R106-F145 VanDerWaalsContact CD-O 3.26Å; R106-F145 WeakPolarHBondContact CD-O 3.46Å; R106-F145 PolarHBondContact NH1-O 2.99Å; L141-F145 HydrophobicContact CD1-CB 3.82Å; L141-F145 HydrophobicContact CG-CB 4.21Å; S142-F145 PolarHBondContact O-N 3.35Å; S142-F145 VanDerWaalsContact O-N 3.07Å; T143-F145 VanDerWaalsContact C-N 3.25Å; T143-F145 PolarHBondContact O-N 3.41Å
146A97.3Very high95Very high7 Ų730.3 Ų30.36%0.05816%0.158CC..Hα-helixtrans-94.9-12.1173.600000113A18 Y21 Q22 L141 S142 T143 L148A18-A146 HydrophobicContact CB-CB 3.36Å; Y21-A146 HydrophobicContact CD1-CB 4.28Å; Q22-A146 PolarHBondContact N-O 3.02Å; L141-A146 HydrophobicContact CD2-CB 4.03Å; S142-A146 PolarHBondContact O-N 3.43Å; T143-A146 PolarHBondContact O-N 2.83Å; A146-L148 VanDerWaalsContact C-N 3.29Å; A146-L148 PolarHBondContact O-N 2.78Å
147S96.1Very high95.5Very high74 Ų7425.2 Ų25.252%0.51713%0.134SC..SBendtrans-62.4-34.8175.968.80000112.4Q22 T143 E144Q22-S147 WeakPolarHBondContact CB-O 3.45Å; Q22-S147 PolarHBondContact OE1-O 2.83Å; T143-S147 PolarHBondContact O-N 3Å; T143-S147 VanDerWaalsContact O-N 3.11Å; E144-S147 PolarHBondContact O-OG 2.94Å
148L97.7Very high95.7Very high26 Ų2624.2 Ų24.214%0.13613%0.131CC..SBendtrans-79.2134.8170.1-16576000109.6I32 T66 L70 R106 A146 L151I32-L148 HydrophobicContact CD1-CD1 3.81Å; I32-L148 HydrophobicContact CG2-CD1 3.8Å; T66-L148 HydrophobicContact CG2-CD1 3.92Å; T66-L148 HydrophobicContact CG2-CD2 3.97Å; L70-L148 HydrophobicContact CB-CD2 4.42Å; L70-L148 HydrophobicContact CD2-CD2 3.79Å; L70-L148 HydrophobicContact CG-CD2 4.48Å; R106-L148 PolarHBondContact NH1-O 2.6Å; A146-L148 VanDerWaalsContact C-N 3.29Å; A146-L148 PolarHBondContact O-N 2.78Å; L148-L151 HydrophobicContact CD2-CD1 3.93Å; L148-L151 HydrophobicContact CD2-CD2 4.15Å; L148-L151 HydrophobicContact CD2-CG 4.11Å; L148-L151 HydrophobicContact CG-CD2 4.34Å
149P97.6Very high95.8Very high0 Ų026 Ų260%015%0.149CC..PPolyproline II helixtrans-69.1160.9174.631.2-35.1000110.6Q22 Q24 L27 I32 R106 L151Q22-P149 HydrophobicContact CB-CB 4.46Å; Q22-P149 WeakPolarHBondContact O-CA 3.29Å; Q22-P149 WeakPolarHBondContact O-CB 3.31Å; Q24-P149 HydrophobicContact CG-CB 4.22Å; L27-P149 HydrophobicContact CD2-CG 4.06Å; L27-P149 HydrophobicContact CG-CG 4.19Å; I32-P149 HydrophobicContact CD1-CG 3.57Å; R106-P149 PolarHBondContact NH2-O 3.47Å; P149-L151 PolarHBondContact O-N 2.91Å
150P98.3Very high95.8Very high20 Ų2025.7 Ų25.713%0.1315%0.149CC..PPolyproline II helixtrans-46.8130165.1-35.242.1000111.4Y21 Q24 V125Y21-P150 HydrophobicContact CD1-CG 4.36Å; Y21-P150 HydrophobicContact CD2-CG 4.16Å; Y21-P150 HydrophobicContact CG-CG 3.94Å; Q24-P150 HydrophobicContact CG-CB 4.08Å; Q24-P150 WeakPolarHBondContact CG-O 3.49Å; Q24-P150 PolarHBondContact NE2-O 3.41Å; V125-P150 HydrophobicContact CB-CB 3.85Å; V125-P150 HydrophobicContact CB-CG 4.03Å; V125-P150 HydrophobicContact CG1-CG 4.46Å; V125-P150 HydrophobicContact CG2-CB 4.41Å; V125-P150 HydrophobicContact CG2-CG 4.43Å
151L98.2Very high95.6Very high1 Ų128.3 Ų28.31%0.00516%0.164CC..SBendtrans-91.8-14.2-176.7-63.9-176.1000114.1L27 I32 L67 V125 D126 L148 P149L27-L151 HydrophobicContact CD2-CD2 4.38Å; I32-L151 HydrophobicContact CD1-CD2 4.26Å; L67-L151 HydrophobicContact CB-CD1 3.74Å; L67-L151 HydrophobicContact CD1-CD1 4.1Å; L67-L151 HydrophobicContact CG-CD1 4.43Å; V125-L151 PolarHBondContact O-N 3.31Å; D126-L151 HydrophobicContact CB-CB 4.45Å; D126-L151 WeakPolarHBondContact OD1-CB 3.5Å; D126-L151 PolarHBondContact OD1-N 3.5Å; L148-L151 HydrophobicContact CD2-CD1 3.93Å; L148-L151 HydrophobicContact CD2-CD2 4.15Å; L148-L151 HydrophobicContact CD2-CG 4.11Å; L148-L151 HydrophobicContact CG-CD2 4.34Å; P149-L151 PolarHBondContact O-N 2.91Å
152A98.4Very high95.3Very high7 Ų735 Ų356%0.05819%0.193CC..EExtended strand (participates in β ladder)trans-88121.3171.100000110.9Q24 V58 V59 V125 S127 G128Q24-A152 PolarHBondContact NE2-O 3.04Å; V58-A152 CarbonylContact O-C 3.5Å; V58-A152 WeakPolarHBondContact O-CA 3.39Å; V59-A152 HydrophobicContact CG2-CB 4.18Å; V125-A152 WeakPolarHBondContact O-CB 3.17Å; V125-A152 PolarHBondContact O-N 3.07Å; V125-A152 VanDerWaalsContact O-N 3.09Å; S127-A152 VanDerWaalsContact C-CB 3.41Å; G128-A152 VanDerWaalsContact N-CB 3.34Å
153V98.3Very high95Very high0 Ų042 Ų420%023%0.23CC..EExtended strand (participates in β ladder)trans-101.2126.4-177.7-177.30000109.4L27 F28 Y57 V58 F60 F191 L195L27-V153 HydrophobicContact CD1-CG2 3.82Å; F28-V153 HydrophobicContact CZ-CG1 4.22Å; F28-V153 HydrophobicContact CZ-CG2 4.46Å; Y57-V153 WeakPolarHBondContact CA-O 3.45Å; V58-V153 HydrophobicContact CG2-CB 4.42Å; V58-V153 PolarHBondContact N-O 3.14Å; V58-V153 PolarHBondContact O-N 3.11Å; F60-V153 HydrophobicContact CD2-CG2 4.28Å; F60-V153 HydrophobicContact CE2-CB 4.18Å; F60-V153 HydrophobicContact CE2-CG2 3.94Å; V153-F191 HydrophobicContact CG1-CE2 4.19Å; V153-L195 HydrophobicContact CG1-CD1 3.61Å; V153-L195 HydrophobicContact CG1-CG 3.71Å
154E98.5Very high94.6Very high47 Ų4741.5 Ų41.522%0.2223%0.228CC..EExtended strand (participates in β ladder)trans-67.7137.9172.5-169.1179.6147.400110F56 Y57 K194 L195F56-E154 CarbonylContact O-C 3.45Å; F56-E154 WeakPolarHBondContact O-CA 3.31Å; Y57-E154 HydrophobicContact CD1-CB 4.01Å; Y57-E154 HydrophobicContact CD1-CG 4.46Å; Y57-E154 HydrophobicContact CE1-CB 3.61Å; Y57-E154 HydrophobicContact CE1-CG 3.82Å; Y57-E154 PolarHBondContact OH-OE2 2.9Å; E154-K194 HydrophobicContact CB-CB 3.84Å; E154-K194 HydrophobicContact CG-CB 3.89Å; E154-K194 CarbonylContact O-C 3.6Å; E154-K194 WeakPolarHBondContact O-CA 3.16Å; E154-K194 VanDerWaalsContact O-CB 3.31Å; E154-K194 WeakPolarHBondContact O-CB 3.49Å; E154-L195 PolarHBondContact O-N 3.01Å
155C98.4Very high94.3Very high0 Ų036.9 Ų36.90%021%0.207CC..EExtended strand (participates in β ladder)trans-136.8149.4-174.3-67.80000111.4F56 V58 L195 V197F56-C155 HydrophobicContact CD1-CB 4.15Å; F56-C155 VanDerWaalsContact CD1-O 3.25Å; F56-C155 WeakPolarHBondContact CD1-O 3.49Å; F56-C155 HydrophobicContact CD2-CB 3.94Å; F56-C155 HydrophobicContact CE1-CB 3.72Å; F56-C155 WeakPolarHBondContact CE1-O 3.2Å; F56-C155 HydrophobicContact CE2-CB 3.52Å; F56-C155 HydrophobicContact CG-CB 4.25Å; F56-C155 HydrophobicContact CZ-CB 3.41Å; F56-C155 VanDerWaalsContact CZ-CB 3.41Å; F56-C155 PolarHBondContact N-O 2.98Å; F56-C155 VanDerWaalsContact N-O 3.09Å; F56-C155 PolarHBondContact O-N 3.37Å; V58-C155 VanDerWaalsContact CG2-SG 3.57Å; C155-L195 CarbonylContact C-O 3.59Å; C155-L195 VanDerWaalsContact CA-O 3.29Å; C155-L195 WeakPolarHBondContact CA-O 3.37Å; C155-V197 HydrophobicContact CB-CG1 4.12Å; C155-V197 HydrophobicContact CB-CG2 4.17Å
156E97Very high94Very high30 Ų3039.7 Ų39.714%0.1423%0.226CC..EExtended strand (participates in β ladder)trans-129.8132.5168.4168.3159.1-171.800108.8V54 K194 L195 F196 V197V54-E156 HydrophobicContact CB-CG 4.31Å; V54-E156 HydrophobicContact CG1-CG 4.49Å; E156-K194 HydrophobicContact CB-CD 4.29Å; E156-K194 WeakPolarHBondContact OE2-CE 3.49Å; E156-K194 IonicContact OE2-NZ 2.57Å; E156-K194 PolarHBondContact OE2-NZ 2.79Å; E156-L195 PolarHBondContact N-O 2.97Å; E156-F196 HydrophobicContact CB-CD1 4.1Å; E156-F196 HydrophobicContact CB-CE1 4.27Å; E156-F196 HydrophobicContact CG-CD1 4.02Å; E156-F196 HydrophobicContact CG-CE1 4.1Å; E156-F196 CarbonylContact O-C 3.53Å; E156-F196 WeakPolarHBondContact O-CA 3.15Å; E156-V197 PolarHBondContact O-N 2.74Å
157M97.2Very high93.8Very high3 Ų341.5 Ų41.52%0.01525%0.245CC..EExtended strand (participates in β ladder)trans-71.9135.9176.1-71.4-179.563.200110.6W50 P53 F56 I160 F173 V197 L199 L207 F208W50-M157 HydrophobicContact CH2-SD 4.21Å; P53-M157 HydrophobicContact CB-CB 4.45Å; P53-M157 HydrophobicContact CB-CG 4.43Å; P53-M157 HydrophobicContact CB-SD 3.87Å; P53-M157 WeakPolarHBondContact O-CB 3.49Å; P53-M157 PolarHBondContact O-N 3.49Å; F56-M157 HydrophobicContact CE1-CG 3.76Å; F56-M157 HydrophobicContact CZ-CG 3.97Å; M157-I160 HydrophobicContact CB-CD1 4.23Å; M157-I160 HydrophobicContact CB-CG1 3.69Å; M157-I160 WeakPolarHBondContact O-CG1 2.94Å; M157-F173 HydrophobicContact CE-CE1 3.81Å; M157-F173 HydrophobicContact CE-CZ 3.93Å; M157-F173 HydrophobicContact SD-CD1 4.4Å; M157-F173 HydrophobicContact SD-CE1 3.6Å; M157-F173 HydrophobicContact SD-CZ 4.04Å; M157-V197 CarbonylContact C-O 3.56Å; M157-V197 WeakPolarHBondContact CA-O 3.25Å; M157-L199 HydrophobicContact CE-CB 4.46Å; M157-L207 HydrophobicContact CE-CB 4.08Å; M157-F208 HydrophobicContact CE-CB 4.09Å
158L95Very high93.6Very high45 Ų4541.5 Ų41.524%0.23625%0.245CC..THydrogen-bonded Turntrans-65.1147.6175.9-70.8167.6000112.3I160 L188 F196 V197 R198L158-I160 PolarHBondContact O-N 2.85Å; L158-L188 HydrophobicContact CD1-CD1 4.15Å; L158-L188 HydrophobicContact CD1-CD2 4.1Å; L158-L188 HydrophobicContact CD1-CG 3.85Å; L158-L188 HydrophobicContact CD2-CD1 3.55Å; L158-L188 HydrophobicContact CD2-CG 4.07Å; L158-L188 HydrophobicContact CG-CD1 4.49Å; L158-F196 HydrophobicContact CD2-CB 3.64Å; L158-F196 HydrophobicContact CG-CB 4.26Å; L158-V197 PolarHBondContact N-O 3.39Å; L158-R198 HydrophobicContact CD1-CG 3.83Å
159G90.9Very high93.4Very high37 Ų3740.7 Ų40.738%0.38124%0.241SC..THydrogen-bonded Turntrans75.41.3173.200000115.2N161 F208G159-N161 PolarHBondContact O-N 2.95Å; G159-N161 VanDerWaalsContact O-N 3.15Å; G159-F208 VanDerWaalsContact C-CE2 3.44Å; G159-F208 WeakPolarHBondContact O-CE2 3.35Å; G159-F208 WeakPolarHBondContact O-CZ 3.32Å
160I90.8Very high93.3Very high19 Ų1943.2 Ų43.210%0.09725%0.254CS..  trans-71.3111.4179.9-58.9-69.9000110.4P53 V54 M157 L158 L165 F208 F212P53-I160 HydrophobicContact CB-CD1 3.88Å; P53-I160 HydrophobicContact CB-CG1 4.05Å; V54-I160 HydrophobicContact CG1-CB 4Å; V54-I160 HydrophobicContact CG1-CG2 3.56Å; M157-I160 HydrophobicContact CB-CD1 4.23Å; M157-I160 HydrophobicContact CB-CG1 3.69Å; M157-I160 WeakPolarHBondContact O-CG1 2.94Å; L158-I160 PolarHBondContact O-N 2.85Å; I160-L165 HydrophobicContact CG2-CD1 3.88Å; I160-L165 HydrophobicContact CG2-CD2 3.96Å; I160-L165 HydrophobicContact CG2-CG 3.92Å; I160-F208 HydrophobicContact CD1-CD2 3.7Å; I160-F208 HydrophobicContact CD1-CE2 4.03Å; I160-F208 HydrophobicContact CG1-CD2 4.45Å; I160-F212 HydrophobicContact CD1-CD2 4.02Å; I160-F212 HydrophobicContact CD1-CE2 3.21Å; I160-F212 HydrophobicContact CD1-CZ 3.62Å
161N86.9Confident93.1Very high76 Ų7646.6 Ų46.641%0.40627%0.271SS..  trans-82.3119.8161.8-171.6-35.2000109.4G159 N163 C164G159-N161 PolarHBondContact O-N 2.95Å; G159-N161 VanDerWaalsContact O-N 3.15Å; N161-N163 PolarHBondContact O-N 3.43Å; N161-N163 VanDerWaalsContact O-N 3.17Å; N161-N163 VanDerWaalsContact OD1-CB 3.28Å; N161-N163 WeakPolarHBondContact OD1-CB 3.26Å; N161-N163 PolarHBondContact OD1-N 3.09Å; N161-C164 HydrophobicContact CB-CB 4.4Å; N161-C164 WeakPolarHBondContact O-CB 3.42Å; N161-C164 PolarHBondContact O-N 3.37Å
162K88.1Confident93Very high140 Ų14049.6 Ų49.661%0.60929%0.285SS*.G310 helixtrans-58.2-29.8-180-66.6-179.1-177.3175.60112.9V54 C164 L165V54-K162 HydrophobicContact CG1-CG 4.41Å; K162-C164 PolarHBondContact O-N 2.98Å; K162-L165 WeakPolarHBondContact O-CB 3.24Å; K162-L165 PolarHBondContact O-N 3.35Å
163N85.7Confident92.9Very high151 Ų15149.2 Ų49.281%0.80728%0.282SS*.G310 helixtrans-70-17.3176.7-60.9-26.9000112.8N161N161-N163 PolarHBondContact O-N 3.43Å; N161-N163 VanDerWaalsContact O-N 3.17Å; N161-N163 VanDerWaalsContact OD1-CB 3.28Å; N161-N163 WeakPolarHBondContact OD1-CB 3.26Å; N161-N163 PolarHBondContact OD1-N 3.09Å
164C84.4Confident92.8Very high46 Ų4652.6 Ų52.631%0.31130%0.303SS..G310 helixtrans-92.8-5176.4-61.30000113.2N161 K162 T166 I169 F212N161-C164 HydrophobicContact CB-CB 4.4Å; N161-C164 WeakPolarHBondContact O-CB 3.42Å; N161-C164 PolarHBondContact O-N 3.37Å; K162-C164 PolarHBondContact O-N 2.98Å; C164-T166 PolarHBondContact O-N 3.4Å; C164-I169 WeakPolarHBondContact O-CD1 3.34Å; C164-F212 HydrophobicContact CB-CD1 4.2Å; C164-F212 HydrophobicContact CB-CE1 3.87Å
165L88.8Confident92.7Very high30 Ų3057.9 Ų57.916%0.15732%0.321CS..  trans-76.469.1178.4-70.7172.3000111.7P53 V54 I160 K162 L170 F212P53-L165 HydrophobicContact CB-CD2 4.34Å; P53-L165 HydrophobicContact CG-CD2 3.88Å; V54-L165 HydrophobicContact CG1-CD1 4.23Å; I160-L165 HydrophobicContact CG2-CD1 3.88Å; I160-L165 HydrophobicContact CG2-CD2 3.96Å; I160-L165 HydrophobicContact CG2-CG 3.92Å; K162-L165 WeakPolarHBondContact O-CB 3.24Å; K162-L165 PolarHBondContact O-N 3.35Å; L165-L170 HydrophobicContact CB-CD1 4.45Å; L165-L170 HydrophobicContact CB-CD2 4.21Å; L165-L170 HydrophobicContact CB-CG 4.26Å; L165-L170 HydrophobicContact CD1-CD2 4.49Å; L165-L170 HydrophobicContact CD2-CD2 3.94Å; L165-L170 HydrophobicContact CG-CD2 4.46Å; L165-F212 HydrophobicContact CD2-CZ 3.79Å
166T90.7Very high92.6Very high74 Ų7462 Ų6245%0.45434%0.337SS..  trans-63.2153.8173.268.20000111.1C164 S168 I169 L170C164-T166 PolarHBondContact O-N 3.4Å; T166-S168 PolarHBondContact O-N 2.88Å; T166-S168 VanDerWaalsContact O-N 3.14Å; T166-I169 PolarHBondContact O-N 3.47Å; T166-I169 WeakPolarHBondContact OG1-CG1 3.36Å; T166-I169 PolarHBondContact OG1-N 2.85Å; T166-L170 PolarHBondContact O-N 2.99Å
167G92.7Very high92.6Very high46 Ų4660.6 Ų60.647%0.47433%0.33SS..Hα-helixtrans-55.4-32.5175.500000113.4N171G167-N171 VanDerWaalsContact O-CB 3.25Å; G167-N171 WeakPolarHBondContact O-CB 3.36Å; G167-N171 PolarHBondContact O-N 2.65Å; G167-N171 PolarHBondContact O-ND2 3.32Å; G167-N171 VanDerWaalsContact O-ND2 3.12Å
168S92.4Very high92.5Very high73 Ų7368.4 Ų68.451%0.5136%0.359SS..Hα-helixtrans-64-46.4174.3-179.40000112.3T166 N171 Q172T166-S168 PolarHBondContact O-N 2.88Å; T166-S168 VanDerWaalsContact O-N 3.14Å; S168-N171 PolarHBondContact O-N 3.31Å; S168-Q172 VanDerWaalsContact O-CG 3.3Å; S168-Q172 WeakPolarHBondContact O-CG 3.35Å; S168-Q172 PolarHBondContact O-N 2.9Å; S168-Q172 PolarHBondContact O-NE2 3.08Å; S168-Q172 PolarHBondContact OG-NE2 3.19Å
169I92.9Very high92.5Very high9 Ų971.5 Ų71.55%0.04637%0.368CS..Hα-helixtrans-66.4-46.9178.9-70.8169.2000110.2C164 T166 N171 Q172 F173 F212 V215C164-I169 WeakPolarHBondContact O-CD1 3.34Å; T166-I169 PolarHBondContact O-N 3.47Å; T166-I169 WeakPolarHBondContact OG1-CG1 3.36Å; T166-I169 PolarHBondContact OG1-N 2.85Å; I169-N171 VanDerWaalsContact C-N 3.31Å; I169-N171 PolarHBondContact O-N 3.14Å; I169-Q172 WeakPolarHBondContact O-CB 3.48Å; I169-Q172 PolarHBondContact O-N 2.91Å; I169-Q172 VanDerWaalsContact O-N 3.1Å; I169-F173 HydrophobicContact CG2-CD2 3.67Å; I169-F173 HydrophobicContact CG2-CE2 3.62Å; I169-F173 WeakPolarHBondContact O-CD2 3.46Å; I169-F173 PolarHBondContact O-N 2.92Å; I169-F212 HydrophobicContact CD1-CD1 4.13Å; I169-F212 HydrophobicContact CD1-CE1 3.92Å; I169-F212 HydrophobicContact CG2-CE1 4.09Å; I169-F212 HydrophobicContact CG2-CE2 4.15Å; I169-F212 HydrophobicContact CG2-CZ 3.7Å; I169-V215 HydrophobicContact CD1-CG2 4.09Å
170L95Very high92.7Very high53 Ų5378.8 Ų78.828%0.27738%0.384SS..Hα-helixtrans-55.7-46.4175.9-71.1171.7000111.4L165 T166 Q172 F173 T174L165-L170 HydrophobicContact CB-CD1 4.45Å; L165-L170 HydrophobicContact CB-CD2 4.21Å; L165-L170 HydrophobicContact CB-CG 4.26Å; L165-L170 HydrophobicContact CD1-CD2 4.49Å; L165-L170 HydrophobicContact CD2-CD2 3.94Å; L165-L170 HydrophobicContact CG-CD2 4.46Å; T166-L170 PolarHBondContact O-N 2.99Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 3.25Å; L170-F173 PolarHBondContact O-N 3.06Å; L170-T174 WeakPolarHBondContact O-CB 3.47Å; L170-T174 PolarHBondContact O-N 3.46Å; L170-T174 PolarHBondContact O-OG1 3.41Å
171N95.5Very high93.1Very high92 Ų9279.6 Ų79.649%0.49239%0.39SS..Hα-helixtrans-64-36.2177.9-74.8-24.9000112.9G167 S168 I169 R175G167-N171 VanDerWaalsContact O-CB 3.25Å; G167-N171 WeakPolarHBondContact O-CB 3.36Å; G167-N171 PolarHBondContact O-N 2.65Å; G167-N171 PolarHBondContact O-ND2 3.32Å; G167-N171 VanDerWaalsContact O-ND2 3.12Å; S168-N171 PolarHBondContact O-N 3.31Å; I169-N171 VanDerWaalsContact C-N 3.31Å; I169-N171 PolarHBondContact O-N 3.14Å; N171-R175 WeakPolarHBondContact O-CG 3.26Å; N171-R175 PolarHBondContact O-N 3.22Å
172Q95.2Very high93.6Very high63 Ų6378.4 Ų78.429%0.29439%0.391SS..Hα-helixtrans-64.6-47.3175.1-74.8174.467.700111.5S168 I169 L170 R175 R176 Y211S168-Q172 VanDerWaalsContact O-CG 3.3Å; S168-Q172 WeakPolarHBondContact O-CG 3.35Å; S168-Q172 PolarHBondContact O-N 2.9Å; S168-Q172 PolarHBondContact O-NE2 3.08Å; S168-Q172 PolarHBondContact OG-NE2 3.19Å; I169-Q172 WeakPolarHBondContact O-CB 3.48Å; I169-Q172 PolarHBondContact O-N 2.91Å; I169-Q172 VanDerWaalsContact O-N 3.1Å; L170-Q172 VanDerWaalsContact C-N 3.33Å; L170-Q172 PolarHBondContact O-N 3.25Å; Q172-R175 VanDerWaalsContact CG-NH2 3.29Å; Q172-R175 PolarHBondContact O-N 2.93Å; Q172-R176 WeakPolarHBondContact O-CB 3.46Å; Q172-R176 PolarHBondContact O-N 2.69Å; Q172-Y211 HydrophobicContact CB-CD1 3.92Å; Q172-Y211 HydrophobicContact CB-CE1 3.67Å; Q172-Y211 HydrophobicContact CG-CE1 4.4Å; Q172-Y211 VanDerWaalsContact OE1-CD1 3.31Å
173F96.3Very high94.1Very high0 Ų071.8 Ų71.80%036%0.363CS..Hα-helixtrans-59.1-48.1174.2-87-71.5000112W50 P53 M157 I169 L170 R175 R176 C177 L207 Y211 F212W50-F173 AromaticContact CH2-CD1 3.94Å; W50-F173 HydrophobicContact CH2-CD1 3.94Å; W50-F173 HydrophobicContact CZ2-CB 3.7Å; W50-F173 AromaticContact CZ2-CD1 3.77Å; W50-F173 HydrophobicContact CZ2-CD1 3.77Å; W50-F173 AromaticContact CZ2-CG 3.99Å; W50-F173 HydrophobicContact CZ2-CG 3.99Å; P53-F173 HydrophobicContact CG-CB 4.3Å; P53-F173 HydrophobicContact CG-CD1 4.1Å; P53-F173 HydrophobicContact CG-CD2 3.51Å; P53-F173 HydrophobicContact CG-CE1 4.27Å; P53-F173 HydrophobicContact CG-CE2 3.72Å; P53-F173 HydrophobicContact CG-CG 3.72Å; P53-F173 HydrophobicContact CG-CZ 4.08Å; M157-F173 HydrophobicContact CE-CE1 3.81Å; M157-F173 HydrophobicContact CE-CZ 3.93Å; M157-F173 HydrophobicContact SD-CD1 4.4Å; M157-F173 HydrophobicContact SD-CE1 3.6Å; M157-F173 HydrophobicContact SD-CZ 4.04Å; I169-F173 HydrophobicContact CG2-CD2 3.67Å; I169-F173 HydrophobicContact CG2-CE2 3.62Å; I169-F173 WeakPolarHBondContact O-CD2 3.46Å; I169-F173 PolarHBondContact O-N 2.92Å; L170-F173 PolarHBondContact O-N 3.06Å; F173-R175 VanDerWaalsContact C-N 3.3Å; F173-R175 PolarHBondContact O-N 2.82Å; F173-R176 PolarHBondContact O-N 3.04Å; F173-C177 WeakPolarHBondContact O-CB 3.49Å; F173-C177 PolarHBondContact O-N 2.76Å; F173-L207 HydrophobicContact CE1-CB 4.16Å; F173-Y211 AromaticContact CD1-CD2 3.9Å; F173-Y211 HydrophobicContact CD1-CD2 3.9Å; F173-Y211 AromaticContact CD1-CE2 3.94Å; F173-Y211 HydrophobicContact CD1-CE2 3.94Å; F173-Y211 HydrophobicContact CD2-CD2 4.11Å; F173-Y211 HydrophobicContact CD2-CG 4.37Å; F173-Y211 AromaticContact CE1-CD2 3.43Å; F173-Y211 HydrophobicContact CE1-CD2 3.43Å; F173-Y211 VanDerWaalsContact CE1-CD2 3.43Å; F173-Y211 AromaticContact CE1-CE2 3.81Å; F173-Y211 HydrophobicContact CE1-CE2 3.81Å; F173-Y211 HydrophobicContact CE1-CG 4.46Å; F173-Y211 AromaticContact CE2-CD2 3.66Å; F173-Y211 HydrophobicContact CE2-CD2 3.66Å; F173-Y211 AromaticContact CE2-CG 3.92Å; F173-Y211 HydrophobicContact CE2-CG 3.92Å; F173-Y211 HydrophobicContact CG-CD2 4.22Å; F173-Y211 HydrophobicContact CG-CE2 4.38Å; F173-Y211 AromaticContact CZ-CD2 3.31Å; F173-Y211 HydrophobicContact CZ-CD2 3.31Å; F173-Y211 HydrophobicContact CZ-CE2 4.16Å; F173-Y211 AromaticContact CZ-CG 3.98Å; F173-Y211 HydrophobicContact CZ-CG 3.98Å; F173-F212 HydrophobicContact CE2-CD2 4.45Å; F173-F212 AromaticContact CE2-CE2 3.62Å; F173-F212 HydrophobicContact CE2-CE2 3.62Å; F173-F212 HydrophobicContact CE2-CZ 4.25Å; F173-F212 AromaticContact CZ-CE2 3.94Å; F173-F212 HydrophobicContact CZ-CE2 3.94Å
174T96Very high94.7Very high71 Ų7166.7 Ų66.744%0.43634%0.335SS..Hα-helixtrans-60-38.1179.4-63.20000112.5L170 R176 R178L170-T174 WeakPolarHBondContact O-CB 3.47Å; L170-T174 PolarHBondContact O-N 3.46Å; L170-T174 PolarHBondContact O-OG1 3.41Å; T174-R176 VanDerWaalsContact C-N 3.35Å; T174-R178 WeakPolarHBondContact O-CG 3.35Å
175R96.1Very high95.4Very high157 Ų15764.5 Ų64.559%0.59232%0.32SS*.Hα-helixtrans-67.2-36.3174.2-74.6-170.7-60.3-965.3112.5N171 Q172 F173 R178N171-R175 WeakPolarHBondContact O-CG 3.26Å; N171-R175 PolarHBondContact O-N 3.22Å; Q172-R175 VanDerWaalsContact CG-NH2 3.29Å; Q172-R175 PolarHBondContact O-N 2.93Å; F173-R175 VanDerWaalsContact C-N 3.3Å; F173-R175 PolarHBondContact O-N 2.82Å; R175-R178 PolarHBondContact O-NE 2.6Å; R175-R178 VanDerWaalsContact O-NE 3.16Å
176R96.5Very high95.8Very high88 Ų8864 Ų6433%0.33232%0.319SS..Hα-helixtrans-81-47-175.7-172.459155.590-3.7112.8Q172 F173 T174 R178 F183 D201 Y211Q172-R176 WeakPolarHBondContact O-CB 3.46Å; Q172-R176 PolarHBondContact O-N 2.69Å; F173-R176 PolarHBondContact O-N 3.04Å; T174-R176 VanDerWaalsContact C-N 3.35Å; R176-R178 VanDerWaalsContact C-N 3.32Å; R176-R178 PolarHBondContact O-N 2.86Å; R176-F183 HydrophobicContact CG-CE1 4.22Å; R176-F183 HydrophobicContact CG-CZ 4.11Å; R176-F183 WeakPolarHBondContact O-CZ 3.28Å; R176-D201 IonicContact NH2-OD2 3.82Å; R176-D201 PolarHBondContact NH2-OD2 3.06Å; R176-Y211 WeakPolarHBondContact CB-OH 3.4Å; R176-Y211 WeakPolarHBondContact CG-OH 3.28Å
177C97.1Very high96.2Very high0 Ų061.1 Ų61.10%030%0.3CS..SBendtrans-96.853.7-170.5-53.30000110.9I47 W50 F173 F183I47-C177 HydrophobicContact CG1-CB 4.43Å; W50-C177 VanDerWaalsContact CB-O 3.23Å; W50-C177 WeakPolarHBondContact CB-O 3.38Å; W50-C177 HydrophobicContact CD2-CB 3.38Å; W50-C177 HydrophobicContact CE3-CB 3.28Å; W50-C177 HydrophobicContact CG-CB 4.03Å; W50-C177 HydrophobicContact CH2-CB 3.92Å; W50-C177 HydrophobicContact CZ2-CB 4.02Å; W50-C177 HydrophobicContact CZ3-CB 3.56Å; F173-C177 WeakPolarHBondContact O-CB 3.49Å; F173-C177 PolarHBondContact O-N 2.76Å; C177-F183 HydrophobicContact CB-CE2 4.46Å; C177-F183 HydrophobicContact CB-CZ 4.41Å
178R96Very high96.3Very high167 Ų16762.4 Ų62.463%0.6330%0.296SS*.  trans-75.1153.1178.5-69-179.2-73.1160.51.7110.2I47 T174 R175 R176 R180 C181I47-R178 WeakPolarHBondContact CB-O 3.24Å; T174-R178 WeakPolarHBondContact O-CG 3.35Å; R175-R178 PolarHBondContact O-NE 2.6Å; R175-R178 VanDerWaalsContact O-NE 3.16Å; R176-R178 VanDerWaalsContact C-N 3.32Å; R176-R178 PolarHBondContact O-N 2.86Å; R178-R180 PolarHBondContact O-N 2.81Å; R178-C181 WeakPolarHBondContact O-CB 3.39Å; R178-C181 PolarHBondContact O-N 3.15Å; R178-C181 PolarHBondContact O-SG 2.78Å
179R95Very high96.4Very high109 Ų10964.1 Ų64.141%0.41131%0.305SS..THydrogen-bonded Turntrans-50.5136.5173.4-174.9177.762669.6110.8I47 G48 C181I47-R179 WeakPolarHBondContact O-CA 3.33Å; G48-R179 VanDerWaalsContact O-CG 3.31Å; G48-R179 WeakPolarHBondContact O-CG 3.18Å; R179-C181 VanDerWaalsContact C-N 3.26Å; R179-C181 PolarHBondContact O-N 2.92Å
180R95.1Very high96.2Very high191 Ų19166.8 Ų66.872%0.72133%0.334SS*.THydrogen-bonded Turntrans70.43.1-174.2-60.4-177.9-177.9162.4-1.6116.4T46 I47 R178T46-R180 VanDerWaalsContact CG2-CA 3.43Å; T46-R180 HydrophobicContact CG2-CB 4.4Å; I47-R180 PolarHBondContact O-N 2.98Å; R178-R180 PolarHBondContact O-N 2.81Å
181C97.5Very high95.9Very high35 Ų3566.5 Ų66.524%0.23633%0.331CS..  trans-73.9139.1170-69.50000110.7T46 I47 R178 R179 F183T46-C181 WeakPolarHBondContact CA-O 3.45Å; I47-C181 PolarHBondContact N-O 3.41Å; R178-C181 WeakPolarHBondContact O-CB 3.39Å; R178-C181 PolarHBondContact O-N 3.15Å; R178-C181 PolarHBondContact O-SG 2.78Å; R179-C181 VanDerWaalsContact C-N 3.26Å; R179-C181 PolarHBondContact O-N 2.92Å; C181-F183 HydrophobicContact CB-CD2 4.37Å; C181-F183 HydrophobicContact CB-CE2 3.62Å; C181-F183 HydrophobicContact CB-CZ 4.36Å
182A98Very high95.4Very high52 Ų5270.6 Ų70.643%0.4335%0.347SS..EExtended strand (participates in β ladder)trans-89.8143.3176.900000111.5V45V45-A182 CarbonylContact O-C 3.53Å; V45-A182 WeakPolarHBondContact O-CA 3.33Å
183F98.6Very high95.1Very high1 Ų175.9 Ų75.90%0.00437%0.369CS..EExtended strand (participates in β ladder)trans-145.7163.7177.4-69-88.7000109.9V45 I47 R176 C177 C181 L199 F200 L207V45-F183 HydrophobicContact CG2-CB 4.32Å; V45-F183 PolarHBondContact N-O 3.11Å; V45-F183 PolarHBondContact O-N 3.23Å; I47-F183 HydrophobicContact CD1-CD2 3.8Å; I47-F183 HydrophobicContact CD1-CE2 4.05Å; I47-F183 HydrophobicContact CG1-CD2 3.65Å; I47-F183 HydrophobicContact CG1-CE2 3.59Å; R176-F183 HydrophobicContact CG-CE1 4.22Å; R176-F183 HydrophobicContact CG-CZ 4.11Å; R176-F183 WeakPolarHBondContact O-CZ 3.28Å; C177-F183 HydrophobicContact CB-CE2 4.46Å; C177-F183 HydrophobicContact CB-CZ 4.41Å; C181-F183 HydrophobicContact CB-CD2 4.37Å; C181-F183 HydrophobicContact CB-CE2 3.62Å; C181-F183 HydrophobicContact CB-CZ 4.36Å; F183-L199 HydrophobicContact CB-CD1 3.56Å; F183-L199 HydrophobicContact CB-CG 4.17Å; F183-L199 HydrophobicContact CD1-CG 4.26Å; F183-L199 HydrophobicContact CG-CD1 4.08Å; F183-L199 HydrophobicContact CG-CD2 4.48Å; F183-L199 HydrophobicContact CG-CG 4.26Å; F183-F200 WeakPolarHBondContact CB-O 3.39Å; F183-F200 WeakPolarHBondContact CD1-O 3.46Å; F183-L207 HydrophobicContact CD1-CD1 3.89Å; F183-L207 HydrophobicContact CE1-CD1 3.6Å; F183-L207 HydrophobicContact CZ-CD1 4.48Å
184M98.7Very high95.1Very high44 Ų4478.5 Ų78.522%0.21738%0.381CS..EExtended strand (participates in β ladder)trans-96.1140.6167.3-60.9-61.2136.200108.8V42 Y43 E44 F200 M204V42-M184 HydrophobicContact CG1-CB 3.75Å; V42-M184 HydrophobicContact CG1-CG 4.43Å; Y43-M184 CarbonylContact O-C 3.52Å; Y43-M184 WeakPolarHBondContact O-CA 3.18Å; E44-M184 HydrophobicContact CB-CE 3.72Å; E44-M184 HydrophobicContact CB-SD 3.96Å; E44-M184 HydrophobicContact CG-CE 3.62Å; E44-M184 HydrophobicContact CG-SD 4.47Å; M184-F200 HydrophobicContact CB-CB 4.14Å; M184-F200 HydrophobicContact CB-CD2 4.37Å; M184-F200 PolarHBondContact N-O 2.95Å; M184-F200 WeakPolarHBondContact O-CD2 3.04Å; M184-F200 PolarHBondContact O-N 2.83Å; M184-M204 HydrophobicContact CB-SD 3.74Å; M184-M204 HydrophobicContact CG-SD 3.74Å
185L98.6Very high95.2Very high0 Ų075.1 Ų75.10%036%0.36CS..EExtended strand (participates in β ladder)trans-137.5133.4-174.8-177.4152.1000110.6V42 Y43 V45 V58 F60 F187 V197 R198 L199V42-L185 CarbonylContact C-O 3.2Å; V42-L185 WeakPolarHBondContact CA-O 3.45Å; Y43-L185 PolarHBondContact N-O 2.85Å; Y43-L185 PolarHBondContact O-N 3.16Å; V45-L185 HydrophobicContact CB-CB 4.48Å; V45-L185 HydrophobicContact CG1-CB 3.85Å; V45-L185 HydrophobicContact CG1-CD1 4.34Å; V45-L185 HydrophobicContact CG2-CB 3.73Å; V45-L185 HydrophobicContact CG2-CD1 4.03Å; V58-L185 HydrophobicContact CG1-CD1 4.05Å; V58-L185 HydrophobicContact CG2-CD1 4.05Å; F60-L185 HydrophobicContact CE1-CD2 4.27Å; F60-L185 HydrophobicContact CZ-CD2 4.13Å; L185-F187 HydrophobicContact CD2-CB 4.31Å; L185-F187 HydrophobicContact CD2-CD1 3.99Å; L185-V197 HydrophobicContact CD1-CB 4.08Å; L185-V197 HydrophobicContact CD1-CG1 4.09Å; L185-V197 HydrophobicContact CD1-CG2 4.03Å; L185-V197 HydrophobicContact CD2-CB 4.17Å; L185-V197 HydrophobicContact CD2-CG1 3.99Å; L185-V197 HydrophobicContact CG-CB 3.96Å; L185-V197 HydrophobicContact CG-CG1 4.21Å; L185-V197 HydrophobicContact CG-CG2 4.34Å; L185-R198 WeakPolarHBondContact CA-O 3.24Å; L185-L199 HydrophobicContact CB-CD1 4.28Å; L185-L199 HydrophobicContact CD1-CD1 4.21Å
186S98.2Very high95.2Very high20 Ų2072.2 Ų72.214%0.1435%0.352CS..EExtended strand (participates in β ladder)trans-120.6155.5163.467.80000110R41 V197 R198R41-S186 WeakPolarHBondContact O-CA 3.37Å; R41-S186 WeakPolarHBondContact O-CB 3.5Å; S186-V197 CarbonylContact O-C 3.5Å; S186-V197 WeakPolarHBondContact O-CA 3.08Å; S186-V197 VanDerWaalsContact O-CB 3.32Å; S186-V197 WeakPolarHBondContact O-CB 2.84Å; S186-R198 PolarHBondContact N-O 3.14Å; S186-R198 PolarHBondContact O-N 3.42Å
187F98Very high95.3Very high12 Ų1268 Ų685%0.05334%0.336CS..EExtended strand (participates in β ladder)trans-138.5152.3-175.861.2-90.7000112.1F28 L37 K38 A39 G40 Y43 F60 L185 L195 F196 V197F28-F187 HydrophobicContact CD1-CE2 4.04Å; F28-F187 HydrophobicContact CD1-CZ 4.03Å; F28-F187 HydrophobicContact CE1-CE2 4.25Å; F28-F187 HydrophobicContact CE1-CZ 4.17Å; L37-F187 HydrophobicContact CB-CE1 4.33Å; L37-F187 HydrophobicContact CB-CZ 3.95Å; K38-F187 WeakPolarHBondContact O-CZ 3.36Å; A39-F187 VanDerWaalsContact CA-CE2 3.48Å; A39-F187 HydrophobicContact CB-CD2 4.08Å; A39-F187 HydrophobicContact CB-CE2 3.87Å; G40-F187 PolarHBondContact N-O 2.99Å; Y43-F187 HydrophobicContact CD2-CD1 4.45Å; Y43-F187 AromaticContact CD2-CE1 3.87Å; Y43-F187 HydrophobicContact CD2-CE1 3.87Å; Y43-F187 AromaticContact CE2-CE1 3.61Å; Y43-F187 HydrophobicContact CE2-CE1 3.61Å; Y43-F187 HydrophobicContact CE2-CZ 4.3Å; F60-F187 HydrophobicContact CE1-CE1 4.31Å; F60-F187 HydrophobicContact CZ-CD1 4.48Å; F60-F187 HydrophobicContact CZ-CE1 4.4Å; L185-F187 HydrophobicContact CD2-CB 4.31Å; L185-F187 HydrophobicContact CD2-CD1 3.99Å; F187-L195 HydrophobicContact CB-CB 4.27Å; F187-L195 HydrophobicContact CB-CD1 4.23Å; F187-L195 HydrophobicContact CB-CD2 4.35Å; F187-L195 HydrophobicContact CD1-CD1 4.23Å; F187-L195 HydrophobicContact CD2-CD1 4.42Å; F187-L195 HydrophobicContact CD2-CD2 3.8Å; F187-L195 HydrophobicContact CE2-CD2 4.34Å; F187-L195 HydrophobicContact CG-CD1 4.06Å; F187-L195 HydrophobicContact CG-CD2 4.17Å; F187-F196 VanDerWaalsContact CA-O 3.32Å; F187-F196 WeakPolarHBondContact CA-O 3.45Å; F187-V197 HydrophobicContact CB-CG1 3.92Å
188L95.7Very high95.3Very high74 Ų7474.2 Ų74.239%0.38736%0.359SS..  trans-72.5155.9174.3-64.5-171.8000111.7L158 F196L158-L188 HydrophobicContact CD1-CD1 4.15Å; L158-L188 HydrophobicContact CD1-CD2 4.1Å; L158-L188 HydrophobicContact CD1-CG 3.85Å; L158-L188 HydrophobicContact CD2-CD1 3.55Å; L158-L188 HydrophobicContact CD2-CG 4.07Å; L158-L188 HydrophobicContact CG-CD1 4.49Å; L188-F196 HydrophobicContact CD1-CB 4.46Å; L188-F196 PolarHBondContact N-O 3.47Å
189P93.8Very high95.4Very high109 Ų10966.3 Ų66.371%0.70833%0.329SS*.SBendtrans-56.8157.6168.1-21.133000112.4A39A39-P189 HydrophobicContact CB-CB 4.2Å; A39-P189 HydrophobicContact CB-CG 3.82Å
190G89.1Confident95.6Very high64 Ų6462.2 Ų62.266%0.6632%0.315SS*.  trans90.5141.3-17700000112.8
191F87.8Confident95.7Very high47 Ų4753.9 Ų53.921%0.20628%0.284CS..  trans-145.8108.1173.8177.5-102.9000109.8Q24 F28 V153 K193 L195Q24-F191 HydrophobicContact CB-CE1 3.71Å; Q24-F191 HydrophobicContact CB-CZ 3.78Å; F28-F191 HydrophobicContact CD2-CB 4.04Å; F28-F191 AromaticContact CD2-CD1 4Å; F28-F191 HydrophobicContact CD2-CD1 4Å; F28-F191 HydrophobicContact CD2-CD2 4.26Å; F28-F191 AromaticContact CD2-CG 3.82Å; F28-F191 HydrophobicContact CD2-CG 3.82Å; F28-F191 HydrophobicContact CE2-CB 4.22Å; F28-F191 AromaticContact CE2-CD1 3.85Å; F28-F191 HydrophobicContact CE2-CD1 3.85Å; F28-F191 AromaticContact CE2-CD2 3.57Å; F28-F191 HydrophobicContact CE2-CD2 3.57Å; F28-F191 HydrophobicContact CE2-CE1 4.09Å; F28-F191 AromaticContact CE2-CE2 3.82Å; F28-F191 HydrophobicContact CE2-CE2 3.82Å; F28-F191 AromaticContact CE2-CG 3.58Å; F28-F191 HydrophobicContact CE2-CG 3.58Å; F28-F191 HydrophobicContact CE2-CZ 4.08Å; F28-F191 HydrophobicContact CZ-CD2 4Å; F28-F191 HydrophobicContact CZ-CE2 4.23Å; F28-F191 HydrophobicContact CZ-CG 4.38Å; V153-F191 HydrophobicContact CG1-CE2 4.19Å; F191-K193 VanDerWaalsContact CE2-C 3.48Å; F191-K193 WeakPolarHBondContact CE2-O 3.38Å; F191-K193 WeakPolarHBondContact CZ-O 3.35Å; F191-L195 HydrophobicContact CD2-CD2 3.77Å; F191-L195 HydrophobicContact CD2-CG 4.17Å
192E85.4Confident95.6Very high179 Ų17955.7 Ų55.784%0.83631%0.309SS*.SBendtrans-127.357179.8-65.2-168.4179.800110.7
193K89.6Confident95.5Very high173 Ų17363.4 Ų63.475%0.75233%0.327SS*.SBendtrans98.2-34.4-178.5-55.3161.1-177.1174.50115F191F191-K193 VanDerWaalsContact CE2-C 3.48Å; F191-K193 WeakPolarHBondContact CE2-O 3.38Å; F191-K193 WeakPolarHBondContact CZ-O 3.35Å
194K95.9Very high95.5Very high55 Ų5567.8 Ų67.824%0.23935%0.349CS..EExtended strand (participates in β ladder)trans-136.7164.6177.967.2-179.9174.9-176.10111.8E154 E156E154-K194 HydrophobicContact CB-CB 3.84Å; E154-K194 HydrophobicContact CG-CB 3.89Å; E154-K194 CarbonylContact O-C 3.6Å; E154-K194 WeakPolarHBondContact O-CA 3.16Å; E154-K194 VanDerWaalsContact O-CB 3.31Å; E154-K194 WeakPolarHBondContact O-CB 3.49Å; E156-K194 HydrophobicContact CB-CD 4.29Å; E156-K194 WeakPolarHBondContact OE2-CE 3.49Å; E156-K194 IonicContact OE2-NZ 2.57Å; E156-K194 PolarHBondContact OE2-NZ 2.79Å
195L97.6Very high95.4Very high1 Ų169.3 Ų69.31%0.00536%0.358CS..EExtended strand (participates in β ladder)trans-99.7141.9171.9-65.6176.5000111F28 F60 V153 E154 C155 E156 F187 F191 V197F28-L195 HydrophobicContact CE1-CD1 3.83Å; F28-L195 HydrophobicContact CE1-CD2 3.8Å; F28-L195 HydrophobicContact CE1-CG 4.28Å; F28-L195 HydrophobicContact CZ-CD1 3.89Å; F28-L195 HydrophobicContact CZ-CD2 3.83Å; F28-L195 HydrophobicContact CZ-CG 4.07Å; F60-L195 HydrophobicContact CE2-CD1 4.28Å; F60-L195 HydrophobicContact CZ-CD1 3.96Å; V153-L195 HydrophobicContact CG1-CD1 3.61Å; V153-L195 HydrophobicContact CG1-CG 3.71Å; E154-L195 PolarHBondContact O-N 3.01Å; C155-L195 CarbonylContact C-O 3.59Å; C155-L195 VanDerWaalsContact CA-O 3.29Å; C155-L195 WeakPolarHBondContact CA-O 3.37Å; E156-L195 PolarHBondContact N-O 2.97Å; F187-L195 HydrophobicContact CB-CB 4.27Å; F187-L195 HydrophobicContact CB-CD1 4.23Å; F187-L195 HydrophobicContact CB-CD2 4.35Å; F187-L195 HydrophobicContact CD1-CD1 4.23Å; F187-L195 HydrophobicContact CD2-CD1 4.42Å; F187-L195 HydrophobicContact CD2-CD2 3.8Å; F187-L195 HydrophobicContact CE2-CD2 4.34Å; F187-L195 HydrophobicContact CG-CD1 4.06Å; F187-L195 HydrophobicContact CG-CD2 4.17Å; F191-L195 HydrophobicContact CD2-CD2 3.77Å; F191-L195 HydrophobicContact CD2-CG 4.17Å; L195-V197 HydrophobicContact CB-CG1 3.53Å
196F97.1Very high95.4Very high95 Ų9570.3 Ų70.342%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-95.1121.4164.4-64.2-83.5000109.2E156 L158 F187 L188E156-F196 HydrophobicContact CB-CD1 4.1Å; E156-F196 HydrophobicContact CB-CE1 4.27Å; E156-F196 HydrophobicContact CG-CD1 4.02Å; E156-F196 HydrophobicContact CG-CE1 4.1Å; E156-F196 CarbonylContact O-C 3.53Å; E156-F196 WeakPolarHBondContact O-CA 3.15Å; L158-F196 HydrophobicContact CD2-CB 3.64Å; L158-F196 HydrophobicContact CG-CB 4.26Å; F187-F196 VanDerWaalsContact CA-O 3.32Å; F187-F196 WeakPolarHBondContact CA-O 3.45Å; L188-F196 HydrophobicContact CD1-CB 4.46Å; L188-F196 PolarHBondContact N-O 3.47Å
197V98.3Very high95.3Very high0 Ų069.4 Ų69.40%036%0.357CS..EExtended strand (participates in β ladder)trans-131.2154.2-160.8-46.80000113.8F56 C155 E156 M157 L158 L185 S186 F187 L195F56-V197 HydrophobicContact CE1-CG2 4.38Å; F56-V197 HydrophobicContact CE2-CG2 4.44Å; F56-V197 HydrophobicContact CZ-CG2 3.59Å; C155-V197 HydrophobicContact CB-CG1 4.12Å; C155-V197 HydrophobicContact CB-CG2 4.17Å; E156-V197 PolarHBondContact O-N 2.74Å; M157-V197 CarbonylContact C-O 3.56Å; M157-V197 WeakPolarHBondContact CA-O 3.25Å; L158-V197 PolarHBondContact N-O 3.39Å; L185-V197 HydrophobicContact CD1-CB 4.08Å; L185-V197 HydrophobicContact CD1-CG1 4.09Å; L185-V197 HydrophobicContact CD1-CG2 4.03Å; L185-V197 HydrophobicContact CD2-CB 4.17Å; L185-V197 HydrophobicContact CD2-CG1 3.99Å; L185-V197 HydrophobicContact CG-CB 3.96Å; L185-V197 HydrophobicContact CG-CG1 4.21Å; L185-V197 HydrophobicContact CG-CG2 4.34Å; S186-V197 CarbonylContact O-C 3.5Å; S186-V197 WeakPolarHBondContact O-CA 3.08Å; S186-V197 VanDerWaalsContact O-CB 3.32Å; S186-V197 WeakPolarHBondContact O-CB 2.84Å; F187-V197 HydrophobicContact CB-CG1 3.92Å; L195-V197 HydrophobicContact CB-CG1 3.53Å
198R98.3Very high95.2Very high131 Ų13170.2 Ų70.249%0.49436%0.36SS..EExtended strand (participates in β ladder)trans-101.1134.4156.3-58.3-171.1-179.1171.8-0.8108.2L158 L185 S186 F200L158-R198 HydrophobicContact CD1-CG 3.83Å; L185-R198 WeakPolarHBondContact CA-O 3.24Å; S186-R198 PolarHBondContact N-O 3.14Å; S186-R198 PolarHBondContact O-N 3.42Å; R198-F200 HydrophobicContact CB-CE1 4.34Å; R198-F200 HydrophobicContact CB-CE2 3.66Å; R198-F200 HydrophobicContact CB-CZ 3.5Å; R198-F200 VanDerWaalsContact CB-CZ 3.5Å; R198-F200 HydrophobicContact CG-CZ 4.41Å
199L98.2Very high95.2Very high0 Ų072.8 Ų72.80%037%0.369CS..EExtended strand (participates in β ladder)trans-115.2125.6-179.3-168.465.5000108.4V45 W50 F56 M157 F183 L185 L207V45-L199 HydrophobicContact CG2-CD1 4.46Å; W50-L199 HydrophobicContact CZ3-CD2 4.15Å; F56-L199 HydrophobicContact CE2-CD2 4.33Å; F56-L199 HydrophobicContact CZ-CD2 4.47Å; M157-L199 HydrophobicContact CE-CB 4.46Å; F183-L199 HydrophobicContact CB-CD1 3.56Å; F183-L199 HydrophobicContact CB-CG 4.17Å; F183-L199 HydrophobicContact CD1-CG 4.26Å; F183-L199 HydrophobicContact CG-CD1 4.08Å; F183-L199 HydrophobicContact CG-CD2 4.48Å; F183-L199 HydrophobicContact CG-CG 4.26Å; L185-L199 HydrophobicContact CB-CD1 4.28Å; L185-L199 HydrophobicContact CD1-CD1 4.21Å; L199-L207 HydrophobicContact CB-CD1 4.35Å; L199-L207 HydrophobicContact CD2-CD1 3.76Å; L199-L207 HydrophobicContact CG-CD1 3.87Å; L199-L207 WeakPolarHBondContact O-CB 3.26Å; L199-L207 WeakPolarHBondContact O-CG 3.3Å; L199-L207 PolarHBondContact O-N 3.48Å
200F98.3Very high95.2Very high23 Ų2371.1 Ų71.110%0.10136%0.356CS..EExtended strand (participates in β ladder)trans-120.4149.2-178-42.4-98.1000111.1F183 M184 R198 M204 N205 D206F183-F200 WeakPolarHBondContact CB-O 3.39Å; F183-F200 WeakPolarHBondContact CD1-O 3.46Å; M184-F200 HydrophobicContact CB-CB 4.14Å; M184-F200 HydrophobicContact CB-CD2 4.37Å; M184-F200 PolarHBondContact N-O 2.95Å; M184-F200 WeakPolarHBondContact O-CD2 3.04Å; M184-F200 PolarHBondContact O-N 2.83Å; R198-F200 HydrophobicContact CB-CE1 4.34Å; R198-F200 HydrophobicContact CB-CE2 3.66Å; R198-F200 HydrophobicContact CB-CZ 3.5Å; R198-F200 VanDerWaalsContact CB-CZ 3.5Å; R198-F200 HydrophobicContact CG-CZ 4.41Å; F200-M204 HydrophobicContact CB-CE 4.33Å; F200-M204 HydrophobicContact CB-SD 4.2Å; F200-M204 HydrophobicContact CD1-CE 4.23Å; F200-M204 HydrophobicContact CD2-CE 4.13Å; F200-M204 HydrophobicContact CG-CE 3.98Å; F200-M204 HydrophobicContact CG-SD 4.49Å; F200-N205 WeakPolarHBondContact CA-O 3.47Å; F200-D206 HydrophobicContact CD1-CB 3.8Å; F200-D206 HydrophobicContact CE1-CB 3.8Å
201D97.2Very high95.5Very high16 Ų1669.7 Ų69.79%0.08633%0.331CS..  trans-77.2179.5169.669.515.4000113.5R176 R203 M204 N205 L207R176-D201 IonicContact NH2-OD2 3.82Å; R176-D201 PolarHBondContact NH2-OD2 3.06Å; D201-R203 PolarHBondContact O-N 3.11Å; D201-R203 VanDerWaalsContact O-N 3.08Å; D201-R203 VanDerWaalsContact OD1-C 3.29Å; D201-R203 VanDerWaalsContact OD1-CA 3.29Å; D201-R203 WeakPolarHBondContact OD1-CA 3.35Å; D201-R203 WeakPolarHBondContact OD1-CB 3.48Å; D201-R203 PolarHBondContact OD1-N 3.4Å; D201-M204 WeakPolarHBondContact O-CA 3.18Å; D201-M204 PolarHBondContact O-N 3.02Å; D201-M204 PolarHBondContact OD1-N 2.76Å; D201-M204 VanDerWaalsContact OD1-N 3.14Å; D201-N205 PolarHBondContact N-O 2.71Å; D201-N205 PolarHBondContact OD1-N 2.72Å; D201-N205 PolarHBondContact OD1-ND2 2.96Å; D201-N205 PolarHBondContact OD2-ND2 2.92Å; D201-L207 HydrophobicContact CB-CD2 4.23Å
202G94.6Very high95.7Very high74 Ų7467.8 Ų67.876%0.76332%0.323SS*.THydrogen-bonded Turntrans-65-6.8176.900000115
203R97.1Very high95.9Very high214 Ų21460.3 Ų60.381%0.80829%0.294SS*.THydrogen-bonded Turntrans-103.411.1170.7-63.4-178.1-179.8-178-0.5111.8D201 N205D201-R203 PolarHBondContact O-N 3.11Å; D201-R203 VanDerWaalsContact O-N 3.08Å; D201-R203 VanDerWaalsContact OD1-C 3.29Å; D201-R203 VanDerWaalsContact OD1-CA 3.29Å; D201-R203 WeakPolarHBondContact OD1-CA 3.35Å; D201-R203 WeakPolarHBondContact OD1-CB 3.48Å; D201-R203 PolarHBondContact OD1-N 3.4Å; R203-N205 PolarHBondContact O-N 3.45Å
204M97.6Very high95.9Very high93 Ų9354 Ų5446%0.45828%0.278SS..  trans60.822.2-176.3-66.9-62.3-61.400114.7V42 M184 F200 D201 D206V42-M204 HydrophobicContact CG1-CE 4.2Å; V42-M204 HydrophobicContact CG2-CE 4.37Å; M184-M204 HydrophobicContact CB-SD 3.74Å; M184-M204 HydrophobicContact CG-SD 3.74Å; F200-M204 HydrophobicContact CB-CE 4.33Å; F200-M204 HydrophobicContact CB-SD 4.2Å; F200-M204 HydrophobicContact CD1-CE 4.23Å; F200-M204 HydrophobicContact CD2-CE 4.13Å; F200-M204 HydrophobicContact CG-CE 3.98Å; F200-M204 HydrophobicContact CG-SD 4.49Å; D201-M204 WeakPolarHBondContact O-CA 3.18Å; D201-M204 PolarHBondContact O-N 3.02Å; D201-M204 PolarHBondContact OD1-N 2.76Å; D201-M204 VanDerWaalsContact OD1-N 3.14Å; M204-D206 PolarHBondContact O-N 2.82Å
205N97.6Very high95.5Very high75 Ų7553.6 Ų53.640%0.40128%0.28SS..  trans-74.3125.7169.3-57-60.5000109.3F200 D201 R203 L207 V210F200-N205 WeakPolarHBondContact CA-O 3.47Å; D201-N205 PolarHBondContact N-O 2.71Å; D201-N205 PolarHBondContact OD1-N 2.72Å; D201-N205 PolarHBondContact OD1-ND2 2.96Å; D201-N205 PolarHBondContact OD2-ND2 2.92Å; R203-N205 PolarHBondContact O-N 3.45Å; N205-L207 PolarHBondContact O-N 2.73Å; N205-V210 HydrophobicContact CB-CG2 3.84Å
206D97.2Very high95.1Very high22 Ų2256.2 Ų56.212%0.11829%0.293CS..BIsolated β-bridgetrans-68.4118.2173.6-171.2-36.5000109.8F200 M204 F208 F209 V210F200-D206 HydrophobicContact CD1-CB 3.8Å; F200-D206 HydrophobicContact CE1-CB 3.8Å; M204-D206 PolarHBondContact O-N 2.82Å; D206-F208 PolarHBondContact O-N 2.88Å; D206-F208 VanDerWaalsContact OD1-CB 3.23Å; D206-F208 WeakPolarHBondContact OD1-CB 3.39Å; D206-F208 PolarHBondContact OD1-N 3.21Å; D206-F209 HydrophobicContact CB-CD2 3.88Å; D206-F209 PolarHBondContact O-N 2.76Å; D206-F209 VanDerWaalsContact O-N 3.09Å; D206-V210 WeakPolarHBondContact O-CG2 3.35Å; D206-V210 PolarHBondContact O-N 2.72Å
207L97.1Very high94.8Very high1 Ų154.1 Ų54.11%0.00529%0.294CS..Hα-helixtrans-63.5-26.1-176.1-63.1-172.5000112.6M157 F173 F183 L199 D201 N205 V210 Y211M157-L207 HydrophobicContact CE-CB 4.08Å; F173-L207 HydrophobicContact CE1-CB 4.16Å; F183-L207 HydrophobicContact CD1-CD1 3.89Å; F183-L207 HydrophobicContact CE1-CD1 3.6Å; F183-L207 HydrophobicContact CZ-CD1 4.48Å; L199-L207 HydrophobicContact CB-CD1 4.35Å; L199-L207 HydrophobicContact CD2-CD1 3.76Å; L199-L207 HydrophobicContact CG-CD1 3.87Å; L199-L207 WeakPolarHBondContact O-CB 3.26Å; L199-L207 WeakPolarHBondContact O-CG 3.3Å; L199-L207 PolarHBondContact O-N 3.48Å; D201-L207 HydrophobicContact CB-CD2 4.23Å; N205-L207 PolarHBondContact O-N 2.73Å; L207-V210 PolarHBondContact O-N 3.14Å; L207-Y211 HydrophobicContact CB-CD2 4.34Å; L207-Y211 HydrophobicContact CB-CE2 4.29Å; L207-Y211 HydrophobicContact CD2-CE2 4.31Å; L207-Y211 WeakPolarHBondContact O-CD2 3.46Å; L207-Y211 PolarHBondContact O-N 2.85Å; L207-Y211 VanDerWaalsContact O-N 3.16Å
208F96Very high94.4Very high28 Ų2861.6 Ų61.612%0.12332%0.322CS..Hα-helixtrans-59.1-53172.3176.8-96.8000110M157 G159 I160 D206 V210 Y211 F212 I216M157-F208 HydrophobicContact CE-CB 4.09Å; G159-F208 VanDerWaalsContact C-CE2 3.44Å; G159-F208 WeakPolarHBondContact O-CE2 3.35Å; G159-F208 WeakPolarHBondContact O-CZ 3.32Å; I160-F208 HydrophobicContact CD1-CD2 3.7Å; I160-F208 HydrophobicContact CD1-CE2 4.03Å; I160-F208 HydrophobicContact CG1-CD2 4.45Å; D206-F208 PolarHBondContact O-N 2.88Å; D206-F208 VanDerWaalsContact OD1-CB 3.23Å; D206-F208 WeakPolarHBondContact OD1-CB 3.39Å; D206-F208 PolarHBondContact OD1-N 3.21Å; F208-V210 VanDerWaalsContact C-N 3.34Å; F208-V210 PolarHBondContact O-N 2.78Å; F208-Y211 PolarHBondContact O-N 2.84Å; F208-F212 HydrophobicContact CD2-CB 4.48Å; F208-F212 AromaticContact CD2-CD2 3.63Å; F208-F212 HydrophobicContact CD2-CD2 3.63Å; F208-F212 HydrophobicContact CD2-CE2 4.18Å; F208-F212 HydrophobicContact CD2-CG 4.26Å; F208-F212 HydrophobicContact CE1-CB 4.44Å; F208-F212 HydrophobicContact CE2-CB 4.15Å; F208-F212 AromaticContact CE2-CD2 3.79Å; F208-F212 HydrophobicContact CE2-CD2 3.79Å; F208-F212 HydrophobicContact CE2-CE2 4.37Å; F208-F212 AromaticContact CE2-CG 3.99Å; F208-F212 HydrophobicContact CE2-CG 3.99Å; F208-F212 HydrophobicContact CG-CD2 4.31Å; F208-F212 HydrophobicContact CZ-CB 4.14Å; F208-F212 HydrophobicContact CZ-CG 4.45Å; F208-F212 WeakPolarHBondContact O-CB 3.42Å; F208-F212 WeakPolarHBondContact O-CD2 2.98Å; F208-F212 PolarHBondContact O-N 2.88Å; F208-I216 HydrophobicContact CE1-CD1 3.69Å; F208-I216 HydrophobicContact CZ-CD1 3.84Å
209F94.7Very high94Very high129 Ų12958.2 Ų58.257%0.56632%0.322SS*.Hα-helixtrans-68.8-32.2-179.9-69.4-65000112.8D206 Y211 G213D206-F209 HydrophobicContact CB-CD2 3.88Å; D206-F209 PolarHBondContact O-N 2.76Å; D206-F209 VanDerWaalsContact O-N 3.09Å; F209-Y211 VanDerWaalsContact C-N 3.31Å; F209-Y211 PolarHBondContact O-N 2.85Å; F209-G213 VanDerWaalsContact O-CA 3.24Å; F209-G213 WeakPolarHBondContact O-CA 3.37Å; F209-G213 PolarHBondContact O-N 3Å
210V95.1Very high93.7Very high74 Ų7462.7 Ų62.745%0.44834%0.343SS..Hα-helixtrans-57.9-43.8174.2171.80000111.6N205 D206 L207 F208N205-V210 HydrophobicContact CB-CG2 3.84Å; D206-V210 WeakPolarHBondContact O-CG2 3.35Å; D206-V210 PolarHBondContact O-N 2.72Å; L207-V210 PolarHBondContact O-N 3.14Å; F208-V210 VanDerWaalsContact C-N 3.34Å; F208-V210 PolarHBondContact O-N 2.78Å
211Y93.9Very high93.6Very high34 Ų3467 Ų6713%0.13336%0.363CS..Hα-helixtrans-98.5-29.8-173.1-64.3-59.9000114.5Q172 F173 R176 L207 F208 F209Q172-Y211 HydrophobicContact CB-CD1 3.92Å; Q172-Y211 HydrophobicContact CB-CE1 3.67Å; Q172-Y211 HydrophobicContact CG-CE1 4.4Å; Q172-Y211 VanDerWaalsContact OE1-CD1 3.31Å; F173-Y211 AromaticContact CD1-CD2 3.9Å; F173-Y211 HydrophobicContact CD1-CD2 3.9Å; F173-Y211 AromaticContact CD1-CE2 3.94Å; F173-Y211 HydrophobicContact CD1-CE2 3.94Å; F173-Y211 HydrophobicContact CD2-CD2 4.11Å; F173-Y211 HydrophobicContact CD2-CG 4.37Å; F173-Y211 AromaticContact CE1-CD2 3.43Å; F173-Y211 HydrophobicContact CE1-CD2 3.43Å; F173-Y211 VanDerWaalsContact CE1-CD2 3.43Å; F173-Y211 AromaticContact CE1-CE2 3.81Å; F173-Y211 HydrophobicContact CE1-CE2 3.81Å; F173-Y211 HydrophobicContact CE1-CG 4.46Å; F173-Y211 AromaticContact CE2-CD2 3.66Å; F173-Y211 HydrophobicContact CE2-CD2 3.66Å; F173-Y211 AromaticContact CE2-CG 3.92Å; F173-Y211 HydrophobicContact CE2-CG 3.92Å; F173-Y211 HydrophobicContact CG-CD2 4.22Å; F173-Y211 HydrophobicContact CG-CE2 4.38Å; F173-Y211 AromaticContact CZ-CD2 3.31Å; F173-Y211 HydrophobicContact CZ-CD2 3.31Å; F173-Y211 HydrophobicContact CZ-CE2 4.16Å; F173-Y211 AromaticContact CZ-CG 3.98Å; F173-Y211 HydrophobicContact CZ-CG 3.98Å; R176-Y211 WeakPolarHBondContact CB-OH 3.4Å; R176-Y211 WeakPolarHBondContact CG-OH 3.28Å; L207-Y211 HydrophobicContact CB-CD2 4.34Å; L207-Y211 HydrophobicContact CB-CE2 4.29Å; L207-Y211 HydrophobicContact CD2-CE2 4.31Å; L207-Y211 WeakPolarHBondContact O-CD2 3.46Å; L207-Y211 PolarHBondContact O-N 2.85Å; L207-Y211 VanDerWaalsContact O-N 3.16Å; F208-Y211 PolarHBondContact O-N 2.84Å; F209-Y211 VanDerWaalsContact C-N 3.31Å; F209-Y211 PolarHBondContact O-N 2.85Å
212F92.8Very high93.4Very high6 Ų667.8 Ų67.83%0.02637%0.372CS..Hα-helixtrans-103.1-18.9-179.4-65.6-84.5000113.7I160 C164 L165 I169 F173 F208 G214 V215 I216I160-F212 HydrophobicContact CD1-CD2 4.02Å; I160-F212 HydrophobicContact CD1-CE2 3.21Å; I160-F212 HydrophobicContact CD1-CZ 3.62Å; C164-F212 HydrophobicContact CB-CD1 4.2Å; C164-F212 HydrophobicContact CB-CE1 3.87Å; L165-F212 HydrophobicContact CD2-CZ 3.79Å; I169-F212 HydrophobicContact CD1-CD1 4.13Å; I169-F212 HydrophobicContact CD1-CE1 3.92Å; I169-F212 HydrophobicContact CG2-CE1 4.09Å; I169-F212 HydrophobicContact CG2-CE2 4.15Å; I169-F212 HydrophobicContact CG2-CZ 3.7Å; F173-F212 HydrophobicContact CE2-CD2 4.45Å; F173-F212 AromaticContact CE2-CE2 3.62Å; F173-F212 HydrophobicContact CE2-CE2 3.62Å; F173-F212 HydrophobicContact CE2-CZ 4.25Å; F173-F212 AromaticContact CZ-CE2 3.94Å; F173-F212 HydrophobicContact CZ-CE2 3.94Å; F208-F212 HydrophobicContact CD2-CB 4.48Å; F208-F212 AromaticContact CD2-CD2 3.63Å; F208-F212 HydrophobicContact CD2-CD2 3.63Å; F208-F212 HydrophobicContact CD2-CE2 4.18Å; F208-F212 HydrophobicContact CD2-CG 4.26Å; F208-F212 HydrophobicContact CE1-CB 4.44Å; F208-F212 HydrophobicContact CE2-CB 4.15Å; F208-F212 AromaticContact CE2-CD2 3.79Å; F208-F212 HydrophobicContact CE2-CD2 3.79Å; F208-F212 HydrophobicContact CE2-CE2 4.37Å; F208-F212 AromaticContact CE2-CG 3.99Å; F208-F212 HydrophobicContact CE2-CG 3.99Å; F208-F212 HydrophobicContact CG-CD2 4.31Å; F208-F212 HydrophobicContact CZ-CB 4.14Å; F208-F212 HydrophobicContact CZ-CG 4.45Å; F208-F212 WeakPolarHBondContact O-CB 3.42Å; F208-F212 WeakPolarHBondContact O-CD2 2.98Å; F208-F212 PolarHBondContact O-N 2.88Å; F212-G214 VanDerWaalsContact C-N 3.3Å; F212-G214 PolarHBondContact O-N 2.92Å; F212-V215 WeakPolarHBondContact O-CA 3.05Å; F212-V215 WeakPolarHBondContact O-CB 3.4Å; F212-V215 PolarHBondContact O-N 2.81Å; F212-I216 HydrophobicContact CB-CD1 4.02Å; F212-I216 HydrophobicContact CB-CG1 4.45Å; F212-I216 WeakPolarHBondContact O-CG1 3.4Å; F212-I216 PolarHBondContact O-N 3.2Å
213G90.6Very high93.4Very high23 Ų2370 Ų7024%0.23736%0.363CS..Hα-helixtrans-55.4-43.2-175.200000113.2F209 V215 I216 A217F209-G213 VanDerWaalsContact O-CA 3.24Å; F209-G213 WeakPolarHBondContact O-CA 3.37Å; F209-G213 PolarHBondContact O-N 3Å; G213-V215 VanDerWaalsContact C-N 3.33Å; G213-V215 PolarHBondContact O-N 3.25Å; G213-I216 PolarHBondContact O-N 2.7Å; G213-A217 WeakPolarHBondContact O-CB 3.25Å; G213-A217 PolarHBondContact O-N 3.3Å
214G88Confident93.3Very high39 Ų3968.4 Ų68.440%0.40236%0.357SS..Hα-helixtrans-68.2-29175.300000114.2F212 R218F212-G214 VanDerWaalsContact C-N 3.3Å; F212-G214 PolarHBondContact O-N 2.92Å; G214-R218 WeakPolarHBondContact O-CG 3.42Å; G214-R218 PolarHBondContact O-N 3.41Å; G214-R218 PolarHBondContact O-NE 3.18Å; G214-R218 PolarHBondContact O-NH1 2.95Å
215V88.4Confident93.2Very high47 Ų4769.7 Ų69.729%0.28536%0.361SS..Hα-helixtrans-72.9-46.8175.4179.90000110.1I169 F212 G213 R218 A219I169-V215 HydrophobicContact CD1-CG2 4.09Å; F212-V215 WeakPolarHBondContact O-CA 3.05Å; F212-V215 WeakPolarHBondContact O-CB 3.4Å; F212-V215 PolarHBondContact O-N 2.81Å; G213-V215 VanDerWaalsContact C-N 3.33Å; G213-V215 PolarHBondContact O-N 3.25Å; V215-R218 PolarHBondContact O-N 3.26Å; V215-A219 PolarHBondContact O-N 3.28Å
216I88.9Confident93Very high57 Ų5774.3 Ų74.329%0.29237%0.373SS..Hα-helixtrans-59.4-51.1177.9-65.9166.1000109.8F208 F212 G213 R218 A219 E220F208-I216 HydrophobicContact CE1-CD1 3.69Å; F208-I216 HydrophobicContact CZ-CD1 3.84Å; F212-I216 HydrophobicContact CB-CD1 4.02Å; F212-I216 HydrophobicContact CB-CG1 4.45Å; F212-I216 WeakPolarHBondContact O-CG1 3.4Å; F212-I216 PolarHBondContact O-N 3.2Å; G213-I216 PolarHBondContact O-N 2.7Å; I216-R218 VanDerWaalsContact C-N 3.29Å; I216-R218 PolarHBondContact O-N 2.96Å; I216-A219 WeakPolarHBondContact O-CB 3.42Å; I216-A219 PolarHBondContact O-N 3.07Å; I216-E220 HydrophobicContact CG2-CG 4.36Å; I216-E220 WeakPolarHBondContact CG2-OE1 3.47Å; I216-E220 WeakPolarHBondContact O-CG 3.38Å; I216-E220 PolarHBondContact O-N 3Å
217A90.7Very high92.9Very high51 Ų5176 Ų7642%0.42139%0.39SS..Hα-helixtrans-58.1-39.3179.500000112.9G213 Q221G213-A217 WeakPolarHBondContact O-CB 3.25Å; G213-A217 PolarHBondContact O-N 3.3Å; A217-Q221 WeakPolarHBondContact O-CB 3.09Å; A217-Q221 PolarHBondContact O-N 3.04Å
218R91.1Very high92.7Very high157 Ų15778.3 Ų78.359%0.59241%0.41SS*.Hα-helixtrans-68.6-38.8175.7-76.4-172.9-62.7-94.51.6112.4G214 V215 I216 Q221 A222G214-R218 WeakPolarHBondContact O-CG 3.42Å; G214-R218 PolarHBondContact O-N 3.41Å; G214-R218 PolarHBondContact O-NE 3.18Å; G214-R218 PolarHBondContact O-NH1 2.95Å; V215-R218 PolarHBondContact O-N 3.26Å; I216-R218 VanDerWaalsContact C-N 3.29Å; I216-R218 PolarHBondContact O-N 2.96Å; R218-Q221 PolarHBondContact O-N 3.33Å; R218-A222 WeakPolarHBondContact O-CB 3.27Å; R218-A222 PolarHBondContact O-N 3.24Å
219A89.2Confident92.6Very high60 Ų6079.2 Ų79.250%0.49642%0.422SS..Hα-helixtrans-63.6-48.4176.900000111V215 I216 Q221 A222 E223V215-A219 PolarHBondContact O-N 3.28Å; I216-A219 WeakPolarHBondContact O-CB 3.42Å; I216-A219 PolarHBondContact O-N 3.07Å; A219-Q221 VanDerWaalsContact C-N 3.34Å; A219-Q221 PolarHBondContact O-N 3.19Å; A219-A222 PolarHBondContact O-N 3.45Å; A219-E223 PolarHBondContact O-N 2.9Å
220E92.3Very high92.4Very high94 Ų9479.5 Ų79.544%0.43943%0.425SS..Hα-helixtrans-59.5-42.7176.3-69.2175.8178.600111.9I216 E223 R224I216-E220 HydrophobicContact CG2-CG 4.36Å; I216-E220 WeakPolarHBondContact CG2-OE1 3.47Å; I216-E220 WeakPolarHBondContact O-CG 3.38Å; I216-E220 PolarHBondContact O-N 3Å; E220-E223 PolarHBondContact O-N 3.41Å; E220-R224 WeakPolarHBondContact O-CG 3.36Å; E220-R224 PolarHBondContact O-N 3.36Å
221Q94.8Very high92.2Very high113 Ų11379.2 Ų79.253%0.52843%0.431SS..Hα-helixtrans-64.8-42.7177.4-173.9175.58.100112A217 R218 A219 E223 R224 Q225A217-Q221 WeakPolarHBondContact O-CB 3.09Å; A217-Q221 PolarHBondContact O-N 3.04Å; R218-Q221 PolarHBondContact O-N 3.33Å; A219-Q221 VanDerWaalsContact C-N 3.34Å; A219-Q221 PolarHBondContact O-N 3.19Å; Q221-E223 VanDerWaalsContact C-N 3.33Å; Q221-E223 PolarHBondContact O-N 2.87Å; Q221-R224 PolarHBondContact O-N 3.48Å; Q221-Q225 WeakPolarHBondContact O-CG 3.29Å; Q221-Q225 PolarHBondContact O-N 3.28Å
222A94.4Very high92Very high33 Ų3385.3 Ų85.327%0.27346%0.458SS..Hα-helixtrans-64-38.5178.200000111.8R218 A219 Q225 R226R218-A222 WeakPolarHBondContact O-CB 3.27Å; R218-A222 PolarHBondContact O-N 3.24Å; A219-A222 PolarHBondContact O-N 3.45Å; A222-Q225 PolarHBondContact O-N 2.88Å; A222-R226 WeakPolarHBondContact O-CG 3.38Å; A222-R226 PolarHBondContact O-N 3.39Å
223E94Very high91.6Very high121 Ų12192.1 Ų92.157%0.56549%0.487SS*.Hα-helixtrans-64.8-47.6174.9-175.4172.7-157.600111.9A219 E220 Q221 Q225 R226 A227A219-E223 PolarHBondContact O-N 2.9Å; E220-E223 PolarHBondContact O-N 3.41Å; Q221-E223 VanDerWaalsContact C-N 3.33Å; Q221-E223 PolarHBondContact O-N 2.87Å; E223-Q225 VanDerWaalsContact C-N 3.25Å; E223-Q225 PolarHBondContact O-N 3.43Å; E223-R226 PolarHBondContact O-N 2.94Å; E223-R226 VanDerWaalsContact O-N 3.09Å; E223-A227 WeakPolarHBondContact O-CB 3.38Å; E223-A227 PolarHBondContact O-N 2.87Å
224R94.9Very high90.9Very high180 Ų18093 Ų9368%0.67950%0.497SS*.Hα-helixtrans-56.6-40.7175.1-71.8176-174173.56.2111.9E220 Q221 A228E220-R224 WeakPolarHBondContact O-CG 3.36Å; E220-R224 PolarHBondContact O-N 3.36Å; Q221-R224 PolarHBondContact O-N 3.48Å; R224-A228 VanDerWaalsContact O-CB 3.3Å; R224-A228 WeakPolarHBondContact O-CB 3.49Å; R224-A228 PolarHBondContact O-N 2.94Å
225Q95.5Very high90Very high119 Ų119100.6 Ų100.656%0.55651%0.513SS*.Hα-helixtrans-65.8-42176.4-73.6174.8-9.600112.4Q221 A222 E223 A228 A229Q221-Q225 WeakPolarHBondContact O-CG 3.29Å; Q221-Q225 PolarHBondContact O-N 3.28Å; A222-Q225 PolarHBondContact O-N 2.88Å; E223-Q225 VanDerWaalsContact C-N 3.25Å; E223-Q225 PolarHBondContact O-N 3.43Å; Q225-A228 PolarHBondContact O-N 2.96Å; Q225-A229 WeakPolarHBondContact O-CB 3.18Å; Q225-A229 PolarHBondContact O-N 3.03Å
226R94.4Very high88.7Confident172 Ų172100 Ų10065%0.64952%0.517SS*.Hα-helixtrans-63.1-49175.1-73170.9-176.9162.10.9111.1A222 E223 A228 A229 H230A222-R226 WeakPolarHBondContact O-CG 3.38Å; A222-R226 PolarHBondContact O-N 3.39Å; E223-R226 PolarHBondContact O-N 2.94Å; E223-R226 VanDerWaalsContact O-N 3.09Å; R226-A228 VanDerWaalsContact C-N 3.31Å; R226-A228 PolarHBondContact O-N 3.5Å; R226-A229 WeakPolarHBondContact O-CB 3.37Å; R226-A229 PolarHBondContact O-N 3.36Å; R226-A229 VanDerWaalsContact O-N 3.11Å; R226-H230 PolarHBondContact O-CD2 2.97Å; R226-H230 PolarHBondContact O-N 2.96Å
227A94Very high87.2Confident58 Ų58105 Ų10548%0.47954%0.536SS..Hα-helixtrans-57-45.2176.900000111.4E223 A229 H230 A231E223-A227 WeakPolarHBondContact O-CB 3.38Å; E223-A227 PolarHBondContact O-N 2.87Å; A227-A229 PolarHBondContact O-N 2.76Å; A227-H230 PolarHBondContact O-N 3.02Å; A227-A231 WeakPolarHBondContact O-CB 3.48Å; A227-A231 PolarHBondContact O-N 3.41Å
228A94Very high85.6Confident50 Ų50106.7 Ų106.741%0.41355%0.55SS..Hα-helixtrans-62.6-39.7175.600000112.7R224 Q225 R226 A231 K232R224-A228 VanDerWaalsContact O-CB 3.3Å; R224-A228 WeakPolarHBondContact O-CB 3.49Å; R224-A228 PolarHBondContact O-N 2.94Å; Q225-A228 PolarHBondContact O-N 2.96Å; R226-A228 VanDerWaalsContact C-N 3.31Å; R226-A228 PolarHBondContact O-N 3.5Å; A228-A231 PolarHBondContact O-N 3.27Å; A228-K232 WeakPolarHBondContact O-CG 3.37Å; A228-K232 PolarHBondContact O-N 3.42Å
229A93.1Very high83.9Confident46 Ų46106.1 Ų106.138%0.3856%0.558SS.*Hα-helixtrans-66.5-40.417600000112.1Q225 R226 A227 K232 K233Q225-A229 WeakPolarHBondContact O-CB 3.18Å; Q225-A229 PolarHBondContact O-N 3.03Å; R226-A229 WeakPolarHBondContact O-CB 3.37Å; R226-A229 PolarHBondContact O-N 3.36Å; R226-A229 VanDerWaalsContact O-N 3.11Å; A227-A229 PolarHBondContact O-N 2.76Å; A229-K232 PolarHBondContact O-N 3.3Å; A229-K233 WeakPolarHBondContact O-CG 3.4Å; A229-K233 PolarHBondContact O-N 2.94Å
230H91.4Very high82.2Confident135 Ų135112.5 Ų112.563%0.62557%0.574SS**Hα-helixtrans-64.1-43.5174-82.2-78.1000111.8R226 A227 K232 K233 G234R226-H230 PolarHBondContact O-CD2 2.97Å; R226-H230 PolarHBondContact O-N 2.96Å; A227-H230 PolarHBondContact O-N 3.02Å; H230-K232 VanDerWaalsContact C-N 3.35Å; H230-K232 PolarHBondContact O-N 2.92Å; H230-K233 PolarHBondContact O-N 2.78Å; H230-G234 PolarHBondContact O-N 3.29Å
231A90.2Very high79.6Confident69 Ų69110.6 Ų110.657%0.5758%0.58SS**Hα-helixtrans-60.6-41.7175.300000112.2A227 A228 G234 R235A227-A231 WeakPolarHBondContact O-CB 3.48Å; A227-A231 PolarHBondContact O-N 3.41Å; A228-A231 PolarHBondContact O-N 3.27Å; A231-G234 PolarHBondContact O-N 3.02Å; A231-R235 PolarHBondContact O-N 2.98Å; A231-R235 VanDerWaalsContact O-N 3.09Å
232K89.1Confident77.2Confident162 Ų162115 Ų11570%0.70460%0.598SS**Hα-helixtrans-64.1-41.8175-72.5179-176.2-176.40112.4A228 A229 H230 R235 G236A228-K232 WeakPolarHBondContact O-CG 3.37Å; A228-K232 PolarHBondContact O-N 3.42Å; A229-K232 PolarHBondContact O-N 3.3Å; H230-K232 VanDerWaalsContact C-N 3.35Å; H230-K232 PolarHBondContact O-N 2.92Å; K232-R235 PolarHBondContact O-N 2.92Å; K232-G236 PolarHBondContact O-N 2.7Å
233K83.9Confident74.3Confident148 Ų148122.2 Ų122.264%0.64362%0.623SS**Hα-helixtrans-66.4-39.4176.5-74.7-180-179.7179.90112.4A229 H230 G236 K237A229-K233 WeakPolarHBondContact O-CG 3.4Å; A229-K233 PolarHBondContact O-N 2.94Å; H230-K233 PolarHBondContact O-N 2.78Å; K233-G236 PolarHBondContact O-N 2.79Å; K233-K237 PolarHBondContact O-N 3.41Å
234G76Confident71.4Confident42 Ų42125.3 Ų125.343%0.43364%0.637SS.*Hα-helixtrans-61.2-42.9174.700000112.3H230 A231 K237 A238H230-G234 PolarHBondContact O-N 3.29Å; A231-G234 PolarHBondContact O-N 3.02Å; G234-K237 PolarHBondContact O-N 3.36Å; G234-A238 PolarHBondContact O-N 3Å
235R70.5Confident68.4Low199 Ų199126 Ų12675%0.75165%0.648SS**Hα-helixtrans-66.8-37.8177-154.3168.5-179.6173-1.6112.5A231 K232 A238 L239A231-R235 PolarHBondContact O-N 2.98Å; A231-R235 VanDerWaalsContact O-N 3.09Å; K232-R235 PolarHBondContact O-N 2.92Å; R235-A238 PolarHBondContact O-N 3.28Å; R235-L239 WeakPolarHBondContact O-CD1 3.4Å; R235-L239 WeakPolarHBondContact O-CG 3.34Å; R235-L239 PolarHBondContact O-N 3.3Å; R235-L239 VanDerWaalsContact O-N 3.15Å
236G60.5Low65.3Low35 Ų35125.7 Ų125.736%0.36166%0.659SS.*Hα-helixtrans-66.1-34.6173.700000114K232 K233 K240K232-G236 PolarHBondContact O-N 2.7Å; K233-G236 PolarHBondContact O-N 2.79Å; G236-K240 PolarHBondContact O-N 3.15Å
237K57Low62.4Low162 Ų162123.6 Ų123.670%0.70467%0.665SS**Hα-helixtrans-75.5-35.9173.8-73.8-171.4177.2-171.90112.8K233 G234 L239 K240 G241K233-K237 PolarHBondContact O-N 3.41Å; G234-K237 PolarHBondContact O-N 3.36Å; K237-L239 PolarHBondContact O-N 3.32Å; K237-K240 PolarHBondContact O-N 2.93Å; K237-G241 WeakPolarHBondContact O-CA 3.46Å; K237-G241 PolarHBondContact O-N 2.94Å
238A56.7Low59.7Low85 Ų85126.6 Ų126.670%0.70268%0.683SS**Hα-helixtrans-62.4-31.717200000112.2G234 R235G234-A238 PolarHBondContact O-N 3Å; R235-A238 PolarHBondContact O-N 3.28Å
239L56.9Low56.8Low146 Ų146134.4 Ų134.476%0.76471%0.708SS**Hα-helixtrans-79.3-22175.1-75.5158.6000114R235 K237R235-L239 WeakPolarHBondContact O-CD1 3.4Å; R235-L239 WeakPolarHBondContact O-CG 3.34Å; R235-L239 PolarHBondContact O-N 3.3Å; R235-L239 VanDerWaalsContact O-N 3.15Å; K237-L239 PolarHBondContact O-N 3.32Å
240K52.8Low53.9Low193 Ų193135.3 Ų135.384%0.83972%0.721SS**Hα-helixtrans-111.8-6.6-178.9-78.4-171.3172.2-175.40115.2G236 K237G236-K240 PolarHBondContact O-N 3.15Å; K237-K240 PolarHBondContact O-N 2.93Å
241G37.6Very low51Low54 Ų54134.9 Ų134.956%0.55773%0.731SS**  trans-108.443.9-168.400000115.2K237 K243K237-G241 WeakPolarHBondContact O-CA 3.46Å; K237-G241 PolarHBondContact O-N 2.94Å; G241-K243 PolarHBondContact O-N 3.07Å
242K44.7Very low48.5Very low207 Ų207137.9 Ų137.990%0.974%0.742SS**SBendtrans-7976.1142-81.9-171.7176.7-178.70107.3
243K33.3Very low45.8Very low183 Ų183137.8 Ų137.880%0.79675%0.747SS**SBendtrans167.4113.8152.5-96.2175.4179.9-171.10111G241G241-K243 PolarHBondContact O-N 3.07Å
244E32.3Very low43.5Very low187 Ų187137 Ų13787%0.87475%0.749SS**  trans68.7145.2145.2-74.1167.3-173.600123
245Q31.6Very low41.4Very low193 Ų193140.3 Ų140.390%0.90276%0.764SS**  trans-76.3152-167.2-68.7156.9-17.300112.8
246S32.3Very low39.7Very low114 Ų114136 Ų13680%0.79776%0.756SS**  167.6163.8112.6-169.40000111.2
247T32.6Very low38.8Very low127 Ų127140.9 Ų140.978%0.77977%0.773SS**  trans-82.5149.4-154.549.70000116.3
248S36.2Very low38Very low121 Ų121139.3 Ų139.385%0.84677%0.772SS**  trans-174.6117.6134.9175.40000109.6
249K34Very low37.2Very low214 Ų214142.4 Ų142.493%0.9378%0.777SS**  trans-103120.8172.7-77.8-177.6175.7-179.20107.9
250G31.5Very low36.6Very low65 Ų65141.1 Ų141.167%0.6777%0.77SS**  trans-109.7137.9161.400000109.3
251P32.3Very low35.7Very low127 Ų127138.4 Ų138.483%0.82576%0.764SS**  trans-86.8138.8-174.934.5-31.3000110.8
252V36.1Very low35.8Very low131 Ų131141 Ų14179%0.79477%0.771SS**  trans-119.6115.2164.4179.80000106.5L254V252-L254 PolarHBondContact O-N 3.34Å
253I32.5Very low35.3Very low161 Ų161140 Ų14083%0.82677%0.77SS**  trans-64.5114.7178.1-63.4171.5000107.6
254L36.3Very low35.4Very low131 Ų131139.2 Ų139.269%0.68677%0.774SS**  trans-81.7126.8166.5-72163.9000106.8V252 D256V252-L254 PolarHBondContact O-N 3.34Å; L254-D256 PolarHBondContact O-N 2.92Å
255C32.3Very low35.6Very low111 Ų111142.5 Ų142.575%0.7579%0.792SS**  trans-74.8104161.224.90000106.5I257C255-I257 PolarHBondContact O-N 2.94Å
256D35.2Very low35.8Very low109 Ų109140 Ų14058%0.58379%0.787SS**  trans-61.4131.1177.7-69.9-41000109.7L254 D258L254-D256 PolarHBondContact O-N 2.92Å; D256-D258 PolarHBondContact O-N 2.85Å
257I40.2Very low36Very low137 Ų137141.3 Ų141.370%0.70379%0.786SS**G310 helixtrans-73.7-6.4178.2-69.3174.7000111C255 D259C255-I257 PolarHBondContact O-N 2.94Å; I257-D259 VanDerWaalsContact C-N 3.33Å; I257-D259 PolarHBondContact O-N 3.02Å
258D39.9Very low36.1Very low129 Ų129142.1 Ų142.169%0.6979%0.787SS**G310 helixtrans-78.3-11.4-179.7-69.2-28.2000113.9D256 L260D256-D258 PolarHBondContact O-N 2.85Å; D258-L260 PolarHBondContact O-N 3.14Å; D258-L260 VanDerWaalsContact O-N 3.08Å
259D40.5Very low36.1Very low151 Ų151143.4 Ų143.481%0.80778%0.783SS**G310 helixtrans-72.94172.6-77.1-19000113.8I257I257-D259 VanDerWaalsContact C-N 3.33Å; I257-D259 PolarHBondContact O-N 3.02Å
260L43.8Very low36.3Very low119 Ų119138.9 Ų138.962%0.62377%0.774SS**G310 helixtrans-1023.2-179.7-72.2171.3000114.4D258D258-L260 PolarHBondContact O-N 3.14Å; D258-L260 VanDerWaalsContact O-N 3.08Å
261L34.3Very low36.6Very low136 Ų136143.9 Ų143.971%0.71278%0.781SS**SBendtrans-107.5122.9169.6-64.4178.4000109.1E263L261-E263 PolarHBondContact O-N 3.23Å; L261-E263 VanDerWaalsContact O-N 3.14Å
262P39.2Very low36.9Very low108 Ų108145.1 Ų145.170%0.70178%0.778SS**  trans-62119.7168.819.3-20.4000108D264P262-D264 PolarHBondContact O-N 2.93Å
263E36Very low37Very low187 Ų187146.2 Ų146.287%0.87478%0.777SS**  trans-54.7134.1166.7-67.7-169159.300108.8L261 M265L261-E263 PolarHBondContact O-N 3.23Å; L261-E263 VanDerWaalsContact O-N 3.14Å; E263-M265 PolarHBondContact O-N 2.8Å
264D33.7Very low37.3Very low165 Ų165144.9 Ų144.988%0.88277%0.773SS**  trans-38.7105-175.4-68-45.4000114.1P262P262-D264 PolarHBondContact O-N 2.93Å
265M36.7Very low37.4Very low256 Ų256146.2 Ų146.2100%1.26178%0.781SS**  trans-158.60158.5-73.2-157.567.400111.1E263E263-M265 PolarHBondContact O-N 2.8Å

Retrieved 265 of 265 residues in 561.2 ms (Link to these results)

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